*HEADER    ELECTRON TRANSPORT                      30-APR-02   1LM2              
*TITLE     NMR STRUCTURAL CHARACTERIZATION OF THE REDUCTION OF                   
*TITLE    2 CHROMIUM(VI) TO CHROMIUM(III) BY CYTOCHROME C7                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CYTOCHROME C7;                                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: CYTOCHROME C3, CYTOCHROME C551.5                            
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: DESULFUROMONAS ACETOXIDANS;                     
*SOURCE   3 ORGANISM_COMMON: BACTERIA                                            
*KEYWDS    CHROMIUM, CYTOCHROME C7, NMR                                          
*EXPDTA    NMR, 35 STRUCTURES                                                    
*AUTHOR    M.ASSFALG, I.BERTINI, M.BRUSCHI, C.MICHEL, P.TURANO                   
*REVDAT   1   07-AUG-02 1LM2    0                                                
Table S1. Protons of cytochrome c7 which experience line-broadening due to the proximity in space to chromium(III), which is bound to the protein. The corresponding maximum violations for the upper or lower proton-chromium distance constraints derived from the relaxation data (for the 35 calculated chromium-protein structures) are reported in the last column.

atom	   Dn (Hz)	max violation (Angstrom)
5-CH3 IV   106	        <0.01
1-CH3 IV   123	        <0.01
HN 9	   15	        <0.01
Hb 10	   23	        <0.01
HN 11	   14	        <0.01
HN 13	   15	        <0.01
Ha 13	   19	        <0.01
Hb2 29	   15	        <0.01
HN 40	   22	        <0.01
Hb1 40	   22	        <0.01
HN 41	   a	        0.05
Ha 41	   a	        <0.01
Hb1 41	   a	        0.04
HN 42	   a	        <0.01
Ha 42	   a	        <0.01
Hb1 42	   a	        <0.01
HN 46	   a	        <0.01
Ha 46	   a	        <0.01
HN 47	   a	        <0.01
HN 50	   a	        <0.01
HN 51	   7	        <0.01
HN 52	   44	        <0.01
HN 54	   30	        <0.01
HN 55	   34	        <0.01
HN 63	   a	        0.03
HN 66	   a	        0.03
Hb1 66	   a	        0.04
   
a. signal broadened beyond detection. The line-broadening for these signals was estimated as>1000Hz.

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    ALA   1           HN       ALA   1   4.113  -7.939  12.203
    2    HA   ALA   1           HA       ALA   1   4.899  -8.851  10.100
    3   1HB   ALA   1          1HB       ALA   1   2.920  -8.952   8.823
    4   2HB   ALA   1          2HB       ALA   1   2.518  -7.247   9.140
    5   3HB   ALA   1          3HB       ALA   1   3.856  -7.656   8.040
    6    H    ASP   2           HN       ASP   2   6.020  -7.318   8.290
    7    HA   ASP   2           HA       ASP   2   6.547  -4.734   9.462
    8   1HB   ASP   2          2HB       ASP   2   9.034  -5.114   9.199
    9   2HB   ASP   2          3HB       ASP   2   8.298  -6.068  10.471
   10    H    VAL   3           HN       VAL   3   7.286  -7.196   6.897
   11    HA   VAL   3           HA       VAL   3   7.048  -5.055   4.912
   12    HB   VAL   3           HB       VAL   3   9.211  -7.160   5.084
   13   1HG1  VAL   3          1HG       VAL   3   8.831  -7.143   2.807
   14   2HG1  VAL   3          2HG       VAL   3   8.270  -5.454   2.800
   15   3HG1  VAL   3          3HG       VAL   3  10.005  -5.814   2.961
   16   1HG2  VAL   3          1HG       VAL   3  10.411  -4.709   4.684
   17   2HG2  VAL   3          2HG       VAL   3   9.050  -4.304   5.758
   18   3HG2  VAL   3          3HG       VAL   3  10.237  -5.536   6.251
   19    H    VAL   4           HN       VAL   4   4.790  -6.057   5.056
   20    HA   VAL   4           HA       VAL   4   4.273  -8.673   4.375
   21    HB   VAL   4           HB       VAL   4   2.752  -6.118   3.840
   22   1HG1  VAL   4          1HG       VAL   4   0.944  -8.270   4.007
   23   2HG1  VAL   4          2HG       VAL   4   1.335  -7.289   2.574
   24   3HG1  VAL   4          3HG       VAL   4   2.223  -8.800   2.888
   25   1HG2  VAL   4          1HG       VAL   4   3.162  -6.584   6.207
   26   2HG2  VAL   4          2HG       VAL   4   1.439  -6.800   5.812
   27   3HG2  VAL   4          3HG       VAL   4   2.491  -8.222   6.016
   28    H    THR   5           HN       THR   5   3.911  -9.788   2.414
   29    HA   THR   5           HA       THR   5   4.600  -8.333  -0.033
   30    HB   THR   5           HB       THR   5   5.901 -10.900   1.016
   31    HG1  THR   5           HG1      THR   5   6.802  -8.234   0.172
   32   1HG2  THR   5          1HG       THR   5   7.361 -10.433  -1.119
   33   2HG2  THR   5          2HG       THR   5   5.803 -11.264  -1.347
   34   3HG2  THR   5          3HG       THR   5   5.945  -9.526  -1.703
   35    H    TYR   6           HN       TYR   6   3.593  -9.065  -1.906
   36    HA   TYR   6           HA       TYR   6   1.789 -11.347  -1.554
   37   1HB   TYR   6          2HB       TYR   6   1.288  -8.419  -2.167
   38   2HB   TYR   6          3HB       TYR   6   0.343  -9.565  -3.097
   39    HD1  TYR   6           HD1      TYR   6  -1.750 -10.110  -2.270
   40    HD2  TYR   6           HD2      TYR   6   1.330  -9.012   0.489
   41    HE1  TYR   6           HE1      TYR   6  -3.396 -10.309  -0.343
   42    HE2  TYR   6           HE2      TYR   6  -0.327  -9.215   2.407
   43    HH   TYR   6           HH       TYR   6  -2.622  -9.168   2.812
   44    H    GLU   7           HN       GLU   7   2.358 -12.800  -3.092
   45    HA   GLU   7           HA       GLU   7   3.655 -11.836  -5.457
   46   1HB   GLU   7          2HB       GLU   7   2.962 -14.660  -4.537
   47   2HB   GLU   7          3HB       GLU   7   3.902 -14.289  -5.968
   48   1HG   GLU   7          2HG       GLU   7   5.779 -14.103  -4.714
   49   2HG   GLU   7          3HG       GLU   7   5.053 -12.801  -3.792
   50    H    ASN   8           HN       ASN   8   2.515 -11.193  -7.229
   51    HA   ASN   8           HA       ASN   8  -0.183 -12.210  -7.481
   52   1HB   ASN   8          2HB       ASN   8   1.318  -9.887  -8.784
   53   2HB   ASN   8          3HB       ASN   8  -0.274 -10.378  -9.326
   54   1HD2  ASN   8          1HD       ASN   8   1.051  -8.046  -7.759
   55   2HD2  ASN   8          2HD       ASN   8  -0.050  -7.729  -6.460
   56    H    LYS   9           HN       LYS   9  -0.798 -12.342 -10.064
   57    HA   LYS   9           HA       LYS   9   1.035 -14.303 -11.130
   58   1HB   LYS   9          2HB       LYS   9  -1.802 -13.709 -11.318
   59   2HB   LYS   9          3HB       LYS   9  -1.103 -13.922 -12.911
   60   1HG   LYS   9          2HG       LYS   9  -0.268 -16.118 -12.371
   61   2HG   LYS   9          3HG       LYS   9  -0.519 -15.879 -10.653
   62   1HD   LYS   9          2HD       LYS   9  -2.930 -15.648 -12.444
   63   2HD   LYS   9          3HD       LYS   9  -2.271 -17.252 -12.189
   64   1HE   LYS   9          2HE       LYS   9  -2.401 -15.829  -9.645
   65   2HE   LYS   9          3HE       LYS   9  -3.966 -15.775 -10.432
   66   1HZ   LYS   9          1HZ       LYS   9  -4.121 -17.784  -9.491
   67   2HZ   LYS   9          2HZ       LYS   9  -3.330 -18.292 -10.827
   68   3HZ   LYS   9          3HZ       LYS   9  -2.510 -18.049  -9.436
   69    H    LYS  10           HN       LYS  10   0.102 -10.924 -11.592
   70    HA   LYS  10           HA       LYS  10   1.955 -10.843 -13.870
   71   1HB   LYS  10          2HB       LYS  10   0.513  -8.813 -14.565
   72   2HB   LYS  10          3HB       LYS  10  -0.077 -10.427 -14.903
   73   1HG   LYS  10          2HG       LYS  10  -1.518 -10.375 -12.903
   74   2HG   LYS  10          3HG       LYS  10  -0.847  -8.831 -12.415
   75   1HD   LYS  10          2HD       LYS  10  -2.740  -8.053 -13.499
   76   2HD   LYS  10          3HD       LYS  10  -1.654  -8.094 -14.874
   77   1HE   LYS  10          2HE       LYS  10  -2.522 -10.625 -15.071
   78   2HE   LYS  10          3HE       LYS  10  -3.883 -10.005 -14.159
   79   1HZ   LYS  10          1HZ       LYS  10  -3.965  -9.858 -16.664
   80   2HZ   LYS  10          2HZ       LYS  10  -4.392  -8.519 -15.833
   81   3HZ   LYS  10          3HZ       LYS  10  -2.922  -8.607 -16.540
   82    H    GLY  11           HN       GLY  11   3.433 -10.669 -11.846
   83   1HA   GLY  11          1HA       GLY  11   5.001  -8.929 -11.338
   84   2HA   GLY  11          2HA       GLY  11   3.671  -7.796 -11.200
   85    H    ASN  12           HN       ASN  12   4.489  -7.258  -9.030
   86    HA   ASN  12           HA       ASN  12   3.299  -9.014  -7.099
   87   1HB   ASN  12          2HB       ASN  12   6.213  -8.119  -6.802
   88   2HB   ASN  12          3HB       ASN  12   5.317  -9.108  -5.666
   89   1HD2  ASN  12          1HD       ASN  12   5.506 -11.209  -5.809
   90   2HD2  ASN  12          2HD       ASN  12   6.060 -12.122  -7.173
   91    H    VAL  13           HN       VAL  13   3.063  -7.842  -4.955
   92    HA   VAL  13           HA       VAL  13   3.513  -4.953  -5.213
   93    HB   VAL  13           HB       VAL  13   1.190  -5.437  -5.718
   94   1HG1  VAL  13          1HG       VAL  13  -0.103  -6.927  -4.640
   95   2HG1  VAL  13          2HG       VAL  13   1.422  -7.539  -3.956
   96   3HG1  VAL  13          3HG       VAL  13   0.435  -6.378  -3.035
   97   1HG2  VAL  13          1HG       VAL  13   2.096  -3.571  -3.948
   98   2HG2  VAL  13          2HG       VAL  13   0.422  -3.666  -4.545
   99   3HG2  VAL  13          3HG       VAL  13   0.849  -4.386  -2.974
  100    H    THR  14           HN       THR  14   5.536  -5.866  -4.040
  101    HA   THR  14           HA       THR  14   5.326  -6.921  -1.465
  102    HB   THR  14           HB       THR  14   7.413  -5.441  -3.096
  103    HG1  THR  14           HG1      THR  14   7.625  -7.617  -3.453
  104   1HG2  THR  14          1HG       THR  14   8.977  -6.239  -1.133
  105   2HG2  THR  14          2HG       THR  14   8.127  -4.687  -0.945
  106   3HG2  THR  14          3HG       THR  14   7.506  -6.146  -0.135
  107    H    PHE  15           HN       PHE  15   3.915  -6.014  -0.037
  108    HA   PHE  15           HA       PHE  15   3.705  -3.193   0.218
  109   1HB   PHE  15          2HB       PHE  15   2.856  -5.621   1.906
  110   2HB   PHE  15          3HB       PHE  15   2.345  -3.987   2.282
  111    HD1  PHE  15           HD1      PHE  15   1.198  -2.712   0.251
  112    HD2  PHE  15           HD2      PHE  15   1.458  -6.931   0.622
  113    HE1  PHE  15           HE1      PHE  15  -0.759  -2.968  -1.300
  114    HE2  PHE  15           HE2      PHE  15  -0.500  -7.188  -0.929
  115    HZ   PHE  15           HZ       PHE  15  -1.585  -5.203  -1.871
  116    H    ASP  16           HN       ASP  16   3.754  -2.383   2.726
  117    HA   ASP  16           HA       ASP  16   6.140  -3.403   3.983
  118   1HB   ASP  16          2HB       ASP  16   5.804  -0.659   2.783
  119   2HB   ASP  16          3HB       ASP  16   6.653  -0.766   4.313
  120    H    HIS  17           HN       HIS  17   5.909  -3.279   6.260
  121    HA   HIS  17           HA       HIS  17   3.553  -1.809   7.187
  122   1HB   HIS  17          2HB       HIS  17   4.189  -4.500   7.457
  123   2HB   HIS  17          3HB       HIS  17   4.648  -3.823   9.007
  124    HD1  HIS  17           HD1      HIS  17   2.751  -4.551  10.495
  125    HD2  HIS  17           HD2      HIS  17   1.411  -2.795   6.929
  126    HE1  HIS  17           HE1      HIS  17   0.219  -4.328  10.715
  127    H    LYS  18           HN       LYS  18   6.821  -2.941   8.322
  128    HA   LYS  18           HA       LYS  18   6.914  -0.792  10.224
  129   1HB   LYS  18          2HB       LYS  18   7.955  -3.299  10.179
  130   2HB   LYS  18          3HB       LYS  18   9.347  -2.386   9.633
  131   1HG   LYS  18          2HG       LYS  18   8.634  -0.768  11.670
  132   2HG   LYS  18          3HG       LYS  18   7.893  -2.239  12.269
  133   1HD   LYS  18          2HD       LYS  18  10.031  -2.453  13.179
  134   2HD   LYS  18          3HD       LYS  18  10.242  -3.336  11.680
  135   1HE   LYS  18          2HE       LYS  18  11.302  -1.431  10.602
  136   2HE   LYS  18          3HE       LYS  18  10.852  -0.356  11.911
  137   1HZ   LYS  18          1HZ       LYS  18  12.386  -1.323  13.306
  138   2HZ   LYS  18          2HZ       LYS  18  12.517  -2.698  12.435
  139   3HZ   LYS  18          3HZ       LYS  18  13.182  -1.313  11.881
  140    H    ALA  19           HN       ALA  19   8.669  -1.721   7.189
  141    HA   ALA  19           HA       ALA  19  10.340   0.483   7.103
  142   1HB   ALA  19          1HB       ALA  19   9.898  -1.779   5.602
  143   2HB   ALA  19          2HB       ALA  19   9.321  -0.501   4.505
  144   3HB   ALA  19          3HB       ALA  19  10.985  -0.449   5.137
  145    H    HIS  20           HN       HIS  20   6.884   0.136   6.434
  146    HA   HIS  20           HA       HIS  20   6.809   2.698   5.097
  147   1HB   HIS  20          2HB       HIS  20   5.099   0.343   5.296
  148   2HB   HIS  20          3HB       HIS  20   4.193   1.822   5.545
  149    HD1  HIS  20           HD1      HIS  20   7.139   1.409   3.147
  150    HD2  HIS  20           HD2      HIS  20   2.993   2.045   3.071
  151    HE1  HIS  20           HE1      HIS  20   6.532   1.873   0.713
  152    H    ALA  21           HN       ALA  21   5.509   1.125   8.098
  153    HA   ALA  21           HA       ALA  21   4.133   3.129   9.214
  154   1HB   ALA  21          1HB       ALA  21   5.902   0.954  10.244
  155   2HB   ALA  21          2HB       ALA  21   5.421   2.214  11.406
  156   3HB   ALA  21          3HB       ALA  21   4.178   1.268  10.552
  157    H    GLU  22           HN       GLU  22   7.634   3.013   8.642
  158    HA   GLU  22           HA       GLU  22   8.490   4.881  10.416
  159   1HB   GLU  22          2HB       GLU  22   9.413   4.445   7.541
  160   2HB   GLU  22          3HB       GLU  22  10.321   5.330   8.751
  161   1HG   GLU  22          2HG       GLU  22   9.588   2.824   9.942
  162   2HG   GLU  22          3HG       GLU  22  10.178   2.462   8.332
  163    H    LYS  23           HN       LYS  23   7.357   5.458   7.006
  164    HA   LYS  23           HA       LYS  23   7.271   8.299   7.536
  165   1HB   LYS  23          2HB       LYS  23   6.803   6.605   5.074
  166   2HB   LYS  23          3HB       LYS  23   6.496   8.330   5.103
  167   1HG   LYS  23          2HG       LYS  23   9.166   7.293   6.088
  168   2HG   LYS  23          3HG       LYS  23   8.877   7.399   4.363
  169   1HD   LYS  23          2HD       LYS  23   8.314   9.771   6.180
  170   2HD   LYS  23          3HD       LYS  23   9.933   9.464   5.583
  171   1HE   LYS  23          2HE       LYS  23   9.391  10.463   3.621
  172   2HE   LYS  23          3HE       LYS  23   8.192   9.220   3.324
  173   1HZ   LYS  23          1HZ       LYS  23   7.044  11.219   3.354
  174   2HZ   LYS  23          2HZ       LYS  23   6.719  10.574   4.819
  175   3HZ   LYS  23          3HZ       LYS  23   7.808  11.784   4.683
  176    H    LEU  24           HN       LEU  24   5.006   5.582   6.774
  177    HA   LEU  24           HA       LEU  24   2.694   7.143   6.817
  178   1HB   LEU  24          2HB       LEU  24   3.196   4.209   7.300
  179   2HB   LEU  24          3HB       LEU  24   1.589   4.910   7.270
  180    HG   LEU  24           HG       LEU  24   2.273   5.807   4.919
  181   1HD1  LEU  24          1HD       LEU  24   4.536   5.392   4.707
  182   2HD1  LEU  24          2HD       LEU  24   4.430   3.797   5.491
  183   3HD1  LEU  24          3HD       LEU  24   3.823   4.016   3.832
  184   1HD2  LEU  24          1HD       LEU  24   0.917   3.536   5.834
  185   2HD2  LEU  24          2HD       LEU  24   0.820   4.280   4.220
  186   3HD2  LEU  24          3HD       LEU  24   1.970   2.956   4.522
  187    H    GLY  25           HN       GLY  25   2.655   4.583   9.218
  188   1HA   GLY  25          1HA       GLY  25   3.243   5.175  11.576
  189   2HA   GLY  25          2HA       GLY  25   2.321   6.642  11.315
  190    H    CYS  26           HN       CYS  26   1.489   3.418   9.958
  191    HA   CYS  26           HA       CYS  26  -0.223   2.081  10.265
  192   1HB   CYS  26          2HB       CYS  26  -1.018   3.075  12.935
  193   2HB   CYS  26          3HB       CYS  26  -0.791   1.436  12.356
  194    H    ASP  27           HN       ASP  27  -1.344   4.871  12.308
  195    HA   ASP  27           HA       ASP  27  -3.859   4.998  11.577
  196   1HB   ASP  27          2HB       ASP  27  -2.402   6.612  13.042
  197   2HB   ASP  27          3HB       ASP  27  -2.200   7.548  11.574
  198    H    ALA  28           HN       ALA  28  -1.023   5.900   9.608
  199    HA   ALA  28           HA       ALA  28  -2.096   7.499   7.684
  200   1HB   ALA  28          1HB       ALA  28  -0.066   7.177   6.756
  201   2HB   ALA  28          2HB       ALA  28   0.270   6.084   8.120
  202   3HB   ALA  28          3HB       ALA  28  -0.339   5.427   6.583
  203    H    CYS  29           HN       CYS  29  -2.436   3.954   8.122
  204    HA   CYS  29           HA       CYS  29  -4.222   3.960   5.802
  205   1HB   CYS  29          2HB       CYS  29  -3.183   1.432   7.012
  206   2HB   CYS  29          3HB       CYS  29  -3.693   1.760   5.368
  207    H    HIS  30           HN       HIS  30  -3.699   2.392   9.053
  208    HA   HIS  30           HA       HIS  30  -6.476   1.788   9.273
  209   1HB   HIS  30          2HB       HIS  30  -4.378   1.664  11.449
  210   2HB   HIS  30          3HB       HIS  30  -5.897   0.793  11.374
  211    HD1  HIS  30           HD1      HIS  30  -6.023  -1.307   9.825
  212    HD2  HIS  30           HD2      HIS  30  -2.279   0.585   9.877
  213    HE1  HIS  30           HE1      HIS  30  -4.388  -2.925   8.721
  214    H    GLU  31           HN       GLU  31  -7.538   2.431  11.552
  215    HA   GLU  31           HA       GLU  31  -6.832   5.108  12.297
  216   1HB   GLU  31          2HB       GLU  31  -9.055   4.533  10.473
  217   2HB   GLU  31          3HB       GLU  31  -9.622   5.324  11.930
  218   1HG   GLU  31          2HG       GLU  31  -7.162   6.600  11.030
  219   2HG   GLU  31          3HG       GLU  31  -8.299   6.522   9.699
  220    H    GLY  32           HN       GLY  32  -6.431   4.299  14.395
  221   1HA   GLY  32          1HA       GLY  32  -6.958   3.726  16.503
  222   2HA   GLY  32          2HA       GLY  32  -8.623   4.135  16.141
  223    H    THR  33           HN       THR  33  -6.338   1.574  16.679
  224    HA   THR  33           HA       THR  33  -6.581  -0.625  16.908
  225    HB   THR  33           HB       THR  33  -9.580  -0.047  16.651
  226    HG1  THR  33           HG1      THR  33  -9.112   0.966  18.562
  227   1HG2  THR  33          1HG       THR  33  -8.082  -2.220  18.203
  228   2HG2  THR  33          2HG       THR  33  -9.846  -2.034  18.061
  229   3HG2  THR  33          3HG       THR  33  -8.884  -2.505  16.639
  230    HA   PRO  34           HA       PRO  34  -6.593  -1.484  12.610
  231   1HB   PRO  34          2HB       PRO  34  -4.572  -3.323  12.669
  232   2HB   PRO  34          3HB       PRO  34  -4.297  -1.603  12.471
  233   1HG   PRO  34          2HG       PRO  34  -3.862  -3.286  14.862
  234   2HG   PRO  34          3HG       PRO  34  -3.213  -1.698  14.504
  235   1HD   PRO  34          2HD       PRO  34  -5.364  -2.308  16.301
  236   2HD   PRO  34          3HD       PRO  34  -4.791  -0.713  15.855
  237    H    ALA  35           HN       ALA  35  -6.295  -3.832  11.399
  238    HA   ALA  35           HA       ALA  35  -7.273  -6.050  12.659
  239   1HB   ALA  35          1HB       ALA  35  -9.317  -4.008  12.318
  240   2HB   ALA  35          2HB       ALA  35  -9.725  -5.471  11.389
  241   3HB   ALA  35          3HB       ALA  35  -9.420  -5.584  13.139
  242    H    LYS  36           HN       LYS  36  -8.023  -4.049   9.715
  243    HA   LYS  36           HA       LYS  36  -6.422  -5.559   8.028
  244   1HB   LYS  36          2HB       LYS  36  -7.812  -7.083   6.956
  245   2HB   LYS  36          3HB       LYS  36  -8.224  -7.290   8.647
  246   1HG   LYS  36          2HG       LYS  36 -10.374  -6.663   8.276
  247   2HG   LYS  36          3HG       LYS  36  -9.866  -5.171   7.509
  248   1HD   LYS  36          2HD       LYS  36 -10.538  -6.012   5.515
  249   2HD   LYS  36          3HD       LYS  36  -9.262  -7.208   5.623
  250   1HE   LYS  36          2HE       LYS  36 -11.284  -8.467   5.355
  251   2HE   LYS  36          3HE       LYS  36 -10.860  -8.633   7.047
  252   1HZ   LYS  36          1HZ       LYS  36 -12.973  -7.978   7.280
  253   2HZ   LYS  36          2HZ       LYS  36 -12.349  -6.474   7.152
  254   3HZ   LYS  36          3HZ       LYS  36 -13.042  -7.184   5.855
  255    H    ILE  37           HN       ILE  37  -7.115  -5.084   5.607
  256    HA   ILE  37           HA       ILE  37  -8.490  -2.501   5.525
  257    HB   ILE  37           HB       ILE  37  -5.753  -3.146   4.444
  258   1HG1  ILE  37          2HG       ILE  37  -6.802  -1.025   6.337
  259   2HG1  ILE  37          3HG       ILE  37  -5.768  -2.381   6.743
  260   1HG2  ILE  37          1HG       ILE  37  -6.433  -2.015   2.611
  261   2HG2  ILE  37          2HG       ILE  37  -7.783  -1.222   3.458
  262   3HG2  ILE  37          3HG       ILE  37  -6.125  -0.603   3.650
  263   1HD1  ILE  37          1HD       ILE  37  -5.036   0.224   5.655
  264   2HD1  ILE  37          2HD       ILE  37  -3.986  -1.049   6.322
  265   3HD1  ILE  37          3HD       ILE  37  -4.442  -1.083   4.602
  266    H    ALA  38           HN       ALA  38  -8.689  -5.617   4.742
  267    HA   ALA  38           HA       ALA  38  -9.356  -6.822   2.973
  268   1HB   ALA  38          1HB       ALA  38 -11.322  -4.961   1.971
  269   2HB   ALA  38          2HB       ALA  38 -11.561  -6.403   2.986
  270   3HB   ALA  38          3HB       ALA  38 -11.233  -4.826   3.744
  271    H    ILE  39           HN       ILE  39  -7.458  -6.800   1.654
  272    HA   ILE  39           HA       ILE  39  -7.690  -4.950  -0.617
  273    HB   ILE  39           HB       ILE  39  -5.222  -5.901   0.832
  274   1HG1  ILE  39          2HG       ILE  39  -6.609  -3.900   1.667
  275   2HG1  ILE  39          3HG       ILE  39  -4.880  -3.693   1.472
  276   1HG2  ILE  39          1HG       ILE  39  -5.580  -4.936  -1.953
  277   2HG2  ILE  39          2HG       ILE  39  -4.228  -4.240  -1.028
  278   3HG2  ILE  39          3HG       ILE  39  -4.341  -6.003  -1.249
  279   1HD1  ILE  39          1HD       ILE  39  -6.477  -3.089  -0.969
  280   2HD1  ILE  39          2HD       ILE  39  -6.757  -1.998   0.408
  281   3HD1  ILE  39          3HD       ILE  39  -5.115  -2.197  -0.250
  282    H    ASP  40           HN       ASP  40  -7.360  -5.828  -2.690
  283    HA   ASP  40           HA       ASP  40  -6.407  -8.430  -3.035
  284   1HB   ASP  40          2HB       ASP  40  -8.750  -8.843  -2.065
  285   2HB   ASP  40          3HB       ASP  40  -9.403  -8.083  -3.504
  286    H    LYS  41           HN       LYS  41  -9.113  -6.405  -4.426
  287    HA   LYS  41           HA       LYS  41  -7.580  -5.274  -6.457
  288   1HB   LYS  41          2HB       LYS  41  -7.480  -7.675  -7.216
  289   2HB   LYS  41          3HB       LYS  41  -9.217  -7.627  -7.441
  290   1HG   LYS  41          2HG       LYS  41  -8.525  -5.355  -8.800
  291   2HG   LYS  41          3HG       LYS  41  -7.056  -6.285  -9.025
  292   1HD   LYS  41          2HD       LYS  41  -8.147  -7.281 -10.761
  293   2HD   LYS  41          3HD       LYS  41  -9.001  -8.197  -9.536
  294   1HE   LYS  41          2HE       LYS  41 -10.204  -5.541  -9.891
  295   2HE   LYS  41          3HE       LYS  41 -10.138  -6.409 -11.412
  296   1HZ   LYS  41          1HZ       LYS  41 -12.103  -7.046 -10.371
  297   2HZ   LYS  41          2HZ       LYS  41 -11.105  -8.320 -10.149
  298   3HZ   LYS  41          3HZ       LYS  41 -11.397  -7.288  -8.918
  299    H    LYS  42           HN       LYS  42  -8.821  -3.553  -5.429
  300    HA   LYS  42           HA       LYS  42 -10.946  -2.693  -6.891
  301   1HB   LYS  42          2HB       LYS  42 -12.797  -3.063  -5.079
  302   2HB   LYS  42          3HB       LYS  42 -12.483  -4.289  -6.290
  303   1HG   LYS  42          2HG       LYS  42 -11.807  -5.797  -4.725
  304   2HG   LYS  42          3HG       LYS  42 -10.712  -4.647  -3.984
  305   1HD   LYS  42          2HD       LYS  42 -12.508  -3.682  -2.641
  306   2HD   LYS  42          3HD       LYS  42 -13.727  -4.585  -3.518
  307   1HE   LYS  42          2HE       LYS  42 -12.582  -6.733  -2.697
  308   2HE   LYS  42          3HE       LYS  42 -11.585  -5.727  -1.666
  309   1HZ   LYS  42          1HZ       LYS  42 -13.286  -6.070  -0.274
  310   2HZ   LYS  42          2HZ       LYS  42 -13.966  -4.806  -1.053
  311   3HZ   LYS  42          3HZ       LYS  42 -14.390  -6.333  -1.449
  312    H    SER  43           HN       SER  43  -9.840  -2.999  -3.453
  313    HA   SER  43           HA       SER  43 -10.285  -0.166  -3.150
  314   1HB   SER  43          2HB       SER  43 -10.589  -2.302  -1.426
  315   2HB   SER  43          3HB       SER  43  -9.026  -1.687  -0.924
  316    HG   SER  43           HG       SER  43 -10.114   0.492  -0.842
  317    H    ALA  44           HN       ALA  44  -7.644  -2.627  -3.126
  318    HA   ALA  44           HA       ALA  44  -5.559  -0.962  -2.387
  319   1HB   ALA  44          1HB       ALA  44  -4.633  -2.866  -4.305
  320   2HB   ALA  44          2HB       ALA  44  -4.564  -2.969  -2.529
  321   3HB   ALA  44          3HB       ALA  44  -5.969  -3.622  -3.404
  322    H    HIS  45           HN       HIS  45  -7.531  -0.977  -5.248
  323    HA   HIS  45           HA       HIS  45  -5.485   0.488  -6.721
  324   1HB   HIS  45          2HB       HIS  45  -7.926  -1.067  -7.479
  325   2HB   HIS  45          3HB       HIS  45  -7.432   0.252  -8.521
  326    HD1  HIS  45           HD1      HIS  45  -7.142  -2.040 -10.124
  327    HD2  HIS  45           HD2      HIS  45  -4.251  -1.288  -7.179
  328    HE1  HIS  45           HE1      HIS  45  -5.083  -3.397 -10.780
  329    H    LYS  46           HN       LYS  46  -7.654   1.170  -4.388
  330    HA   LYS  46           HA       LYS  46  -8.534   3.647  -5.700
  331   1HB   LYS  46          2HB       LYS  46  -9.971   1.669  -4.163
  332   2HB   LYS  46          3HB       LYS  46 -10.032   3.214  -3.340
  333   1HG   LYS  46          2HG       LYS  46 -10.426   3.416  -6.278
  334   2HG   LYS  46          3HG       LYS  46 -11.657   2.468  -5.469
  335   1HD   LYS  46          2HD       LYS  46 -12.632   4.345  -4.654
  336   2HD   LYS  46          3HD       LYS  46 -11.140   4.820  -3.866
  337   1HE   LYS  46          2HE       LYS  46 -10.333   5.828  -6.019
  338   2HE   LYS  46          3HE       LYS  46 -11.837   5.367  -6.793
  339   1HZ   LYS  46          1HZ       LYS  46 -12.317   7.456  -6.124
  340   2HZ   LYS  46          2HZ       LYS  46 -12.827   6.666  -4.789
  341   3HZ   LYS  46          3HZ       LYS  46 -11.373   7.410  -4.792
  342    H    ASP  47           HN       ASP  47  -9.248   4.976  -3.247
  343    HA   ASP  47           HA       ASP  47  -7.091   6.380  -2.696
  344   1HB   ASP  47          2HB       ASP  47  -9.408   5.516  -0.957
  345   2HB   ASP  47          3HB       ASP  47  -8.128   6.462  -0.225
  346    H    ALA  48           HN       ALA  48  -7.844   3.089  -1.584
  347    HA   ALA  48           HA       ALA  48  -6.417   2.702   0.641
  348   1HB   ALA  48          1HB       ALA  48  -6.106   0.824  -1.714
  349   2HB   ALA  48          2HB       ALA  48  -6.298   0.432   0.012
  350   3HB   ALA  48          3HB       ALA  48  -7.682   1.053  -0.918
  351    H    CYS  49           HN       CYS  49  -4.952   2.385  -2.678
  352    HA   CYS  49           HA       CYS  49  -2.371   2.898  -1.419
  353   1HB   CYS  49          2HB       CYS  49  -3.130   1.626  -4.050
  354   2HB   CYS  49          3HB       CYS  49  -1.487   2.097  -3.664
  355    H    LYS  50           HN       LYS  50  -4.075   3.597  -4.569
  356    HA   LYS  50           HA       LYS  50  -2.540   5.809  -5.213
  357   1HB   LYS  50          2HB       LYS  50  -5.343   4.985  -6.006
  358   2HB   LYS  50          3HB       LYS  50  -4.525   6.370  -6.701
  359   1HG   LYS  50          2HG       LYS  50  -2.576   4.385  -6.892
  360   2HG   LYS  50          3HG       LYS  50  -4.052   3.478  -7.158
  361   1HD   LYS  50          2HD       LYS  50  -3.940   6.073  -8.613
  362   2HD   LYS  50          3HD       LYS  50  -2.711   4.925  -9.103
  363   1HE   LYS  50          2HE       LYS  50  -4.288   3.918 -10.391
  364   2HE   LYS  50          3HE       LYS  50  -5.040   3.353  -8.912
  365   1HZ   LYS  50          1HZ       LYS  50  -6.129   5.066 -10.696
  366   2HZ   LYS  50          2HZ       LYS  50  -6.686   4.778  -9.188
  367   3HZ   LYS  50          3HZ       LYS  50  -5.698   6.048  -9.464
  368    H    THR  51           HN       THR  51  -2.173   7.290  -3.571
  369    HA   THR  51           HA       THR  51  -3.892   9.370  -3.215
  370    HB   THR  51           HB       THR  51  -4.544   7.006  -1.490
  371    HG1  THR  51           HG1      THR  51  -6.591   8.224  -1.697
  372   1HG2  THR  51          1HG       THR  51  -3.559   8.722   0.144
  373   2HG2  THR  51          2HG       THR  51  -4.780   9.874  -0.447
  374   3HG2  THR  51          3HG       THR  51  -5.291   8.384   0.383
  375    H    CYS  52           HN       CYS  52  -1.891   7.253  -1.046
  376    HA   CYS  52           HA       CYS  52  -0.393   9.665  -0.371
  377   1HB   CYS  52          2HB       CYS  52  -1.215   8.603   1.571
  378   2HB   CYS  52          3HB       CYS  52  -0.741   7.011   1.012
  379    H    HIS  53           HN       HIS  53   0.349   9.228  -2.807
  380    HA   HIS  53           HA       HIS  53   2.896   7.893  -2.575
  381   1HB   HIS  53          2HB       HIS  53   0.670   6.928  -4.333
  382   2HB   HIS  53          3HB       HIS  53   2.313   6.839  -4.936
  383    HD1  HIS  53           HD1      HIS  53   0.384   4.380  -4.081
  384    HD2  HIS  53           HD2      HIS  53   3.618   5.932  -1.907
  385    HE1  HIS  53           HE1      HIS  53   1.169   2.509  -2.534
  386    H    LYS  54           HN       LYS  54   0.523   9.684  -4.630
  387    HA   LYS  54           HA       LYS  54   2.422  10.709  -6.407
  388   1HB   LYS  54          2HB       LYS  54  -0.369  11.537  -5.608
  389   2HB   LYS  54          3HB       LYS  54   0.563  12.469  -6.762
  390   1HG   LYS  54          2HG       LYS  54   0.744  10.598  -8.283
  391   2HG   LYS  54          3HG       LYS  54   0.185   9.462  -7.072
  392   1HD   LYS  54          2HD       LYS  54  -2.047  10.058  -7.327
  393   2HD   LYS  54          3HD       LYS  54  -1.674  11.728  -7.709
  394   1HE   LYS  54          2HE       LYS  54  -0.820  10.992  -9.967
  395   2HE   LYS  54          3HE       LYS  54  -1.278   9.345  -9.582
  396   1HZ   LYS  54          1HZ       LYS  54  -3.176   9.990 -10.530
  397   2HZ   LYS  54          2HZ       LYS  54  -3.529  10.619  -9.065
  398   3HZ   LYS  54          3HZ       LYS  54  -2.947  11.582 -10.248
  399    H    SER  55           HN       SER  55   4.240  11.261  -5.012
  400    HA   SER  55           HA       SER  55   4.518  13.902  -4.598
  401   1HB   SER  55          2HB       SER  55   4.478  13.976  -2.007
  402   2HB   SER  55          3HB       SER  55   2.943  14.071  -2.846
  403    HG   SER  55           HG       SER  55   2.726  11.720  -2.504
  404    H    ASN  56           HN       ASN  56   5.129  10.752  -2.898
  405    HA   ASN  56           HA       ASN  56   7.966  11.400  -3.091
  406   1HB   ASN  56          2HB       ASN  56   6.475  10.819  -0.778
  407   2HB   ASN  56          3HB       ASN  56   7.218   9.277  -1.156
  408   1HD2  ASN  56          1HD       ASN  56   7.749  12.635  -0.364
  409   2HD2  ASN  56          2HD       ASN  56   9.413  12.522   0.105
  410    H    ASN  57           HN       ASN  57   9.275   9.115  -2.937
  411    HA   ASN  57           HA       ASN  57   9.632   7.072  -3.643
  412   1HB   ASN  57          2HB       ASN  57   6.920   6.874  -3.241
  413   2HB   ASN  57          3HB       ASN  57   6.973   6.639  -4.977
  414   1HD2  ASN  57          1HD       ASN  57   6.626   4.543  -5.216
  415   2HD2  ASN  57          2HD       ASN  57   7.563   3.260  -4.528
  416    H    GLY  58           HN       GLY  58   7.112   8.424  -5.919
  417   1HA   GLY  58          1HA       GLY  58   8.098   9.638  -7.877
  418   2HA   GLY  58          2HA       GLY  58   9.094   8.214  -8.105
  419    HA   PRO  59           HA       PRO  59   5.860   6.367 -10.325
  420   1HB   PRO  59          2HB       PRO  59   6.306   3.697  -9.950
  421   2HB   PRO  59          3HB       PRO  59   7.220   4.671 -11.084
  422   1HG   PRO  59          2HG       PRO  59   8.046   3.639  -8.440
  423   2HG   PRO  59          3HG       PRO  59   9.049   4.232  -9.749
  424   1HD   PRO  59          2HD       PRO  59   8.375   5.627  -7.335
  425   2HD   PRO  59          3HD       PRO  59   9.281   6.262  -8.694
  426    H    THR  60           HN       THR  60   3.795   6.737  -9.833
  427    HA   THR  60           HA       THR  60   2.841   5.270  -7.461
  428    HB   THR  60           HB       THR  60   1.990   7.945  -8.688
  429    HG1  THR  60           HG1      THR  60   3.966   7.875  -7.372
  430   1HG2  THR  60          1HG       THR  60  -0.007   7.510  -7.619
  431   2HG2  THR  60          2HG       THR  60   0.670   6.116  -6.744
  432   3HG2  THR  60          3HG       THR  60   0.928   7.765  -6.126
  433    H    LYS  61           HN       LYS  61   2.542   5.795 -10.912
  434    HA   LYS  61           HA       LYS  61  -0.035   4.444 -10.941
  435   1HB   LYS  61          2HB       LYS  61  -0.292   5.224 -13.113
  436   2HB   LYS  61          3HB       LYS  61   0.564   6.534 -12.325
  437   1HG   LYS  61          2HG       LYS  61   2.738   5.262 -13.165
  438   2HG   LYS  61          3HG       LYS  61   1.635   4.488 -14.286
  439   1HD   LYS  61          2HD       LYS  61   1.451   6.363 -15.569
  440   2HD   LYS  61          3HD       LYS  61   1.187   7.393 -14.176
  441   1HE   LYS  61          2HE       LYS  61   3.255   8.236 -14.695
  442   2HE   LYS  61          3HE       LYS  61   3.852   6.826 -13.843
  443   1HZ   LYS  61          1HZ       LYS  61   4.889   6.704 -15.861
  444   2HZ   LYS  61          2HZ       LYS  61   3.616   5.712 -16.116
  445   3HZ   LYS  61          3HZ       LYS  61   3.601   7.230 -16.717
  446    H    CYS  62           HN       CYS  62   0.394   3.172 -13.540
  447    HA   CYS  62           HA       CYS  62   1.041   0.674 -12.800
  448   1HB   CYS  62          2HB       CYS  62   0.410   1.949 -15.173
  449   2HB   CYS  62          3HB       CYS  62   1.987   1.262 -15.506
  450    H    GLY  63           HN       GLY  63   2.938  -0.534 -12.483
  451   1HA   GLY  63          1HA       GLY  63   5.221  -0.960 -12.809
  452   2HA   GLY  63          2HA       GLY  63   5.502   0.734 -13.156
  453    H    GLY  64           HN       GLY  64   3.740   1.613 -10.833
  454   1HA   GLY  64          1HA       GLY  64   5.632   2.101  -8.925
  455   2HA   GLY  64          2HA       GLY  64   3.906   2.042  -8.629
  456    H    CYS  65           HN       CYS  65   2.985  -0.366  -8.527
  457    HA   CYS  65           HA       CYS  65   4.589  -1.656  -6.509
  458   1HB   CYS  65          2HB       CYS  65   1.991  -2.798  -7.403
  459   2HB   CYS  65          3HB       CYS  65   2.683  -2.689  -5.797
  460    H    HIS  66           HN       HIS  66   2.622  -2.896  -9.314
  461    HA   HIS  66           HA       HIS  66   3.996  -5.263  -9.562
  462   1HB   HIS  66          2HB       HIS  66   2.621  -3.712 -11.773
  463   2HB   HIS  66          3HB       HIS  66   2.960  -5.431 -11.762
  464    HD1  HIS  66           HD1      HIS  66   1.464  -6.958 -10.244
  465    HD2  HIS  66           HD2      HIS  66   0.400  -2.900 -10.222
  466    HE1  HIS  66           HE1      HIS  66  -0.844  -6.829  -9.162
  467    H    ILE  67           HN       ILE  67   6.259  -4.992  -9.391
  468    HA   ILE  67           HA       ILE  67   7.820  -3.162 -10.627
  469    HB   ILE  67           HB       ILE  67   8.392  -5.030  -8.985
  470   1HG1  ILE  67          2HG       ILE  67  10.380  -4.486 -11.206
  471   2HG1  ILE  67          3HG       ILE  67   9.964  -3.325  -9.961
  472   1HG2  ILE  67          1HG       ILE  67   7.641  -6.759 -10.849
  473   2HG2  ILE  67          2HG       ILE  67   9.349  -6.611 -11.330
  474   3HG2  ILE  67          3HG       ILE  67   8.931  -7.135  -9.681
  475   1HD1  ILE  67          1HD       ILE  67  10.565  -5.908  -8.746
  476   2HD1  ILE  67          2HD       ILE  67  11.904  -5.382  -9.794
  477   3HD1  ILE  67          3HD       ILE  67  11.342  -4.331  -8.471
  478    H    LYS  68           HN       LYS  68   7.699  -2.459 -12.695
  479    HA   LYS  68           HA       LYS  68   7.648  -4.544 -14.764
  480   1HB   LYS  68          2HB       LYS  68   5.999  -2.062 -14.471
  481   2HB   LYS  68          3HB       LYS  68   6.480  -2.553 -16.082
  482   1HG   LYS  68          2HG       LYS  68   5.491  -4.801 -14.416
  483   2HG   LYS  68          3HG       LYS  68   4.291  -3.552 -14.680
  484   1HD   LYS  68          2HD       LYS  68   4.123  -3.991 -16.936
  485   2HD   LYS  68          3HD       LYS  68   5.839  -4.298 -17.114
  486   1HE   LYS  68          2HE       LYS  68   4.485  -6.340 -15.454
  487   2HE   LYS  68          3HE       LYS  68   3.826  -6.243 -17.074
  488   1HZ   LYS  68          1HZ       LYS  68   6.254  -6.270 -17.780
  489   2HZ   LYS  68          2HZ       LYS  68   6.572  -6.824 -16.277
  490   3HZ   LYS  68          3HZ       LYS  68   5.593  -7.674 -17.271
  491    HHA  HEC  98           HGM      HEC  98  -4.201  -5.677   7.614
  492    HHB  HEC  98           HDM      HEC  98  -1.862  -3.463  12.962
  493    HHC  HEC  98           HAM      HEC  98   1.398   0.828   9.633
  494    HHD  HEC  98           HBM      HEC  98  -1.392  -1.217   4.452
  495   1HMA  HEC  98          1HM       HEC  98  -2.788  -5.264  13.478
  496   2HMA  HEC  98          2HM       HEC  98  -4.185  -6.219  12.926
  497   3HMA  HEC  98          3HM       HEC  98  -2.539  -6.874  12.760
  498   1HAA  HEC  98          1HA       HEC  98  -4.555  -7.558  10.796
  499   2HAA  HEC  98          2HA       HEC  98  -5.102  -6.834   9.265
  500   1HBA  HEC  98          3HB       HEC  98  -3.968  -8.668   8.357
  501   2HBA  HEC  98          4HB       HEC  98  -2.572  -7.577   8.519
  502   1HMB  HEC  98          1HM       HEC  98   0.281  -1.004  14.658
  503   2HMB  HEC  98          2HM       HEC  98  -1.460  -0.778  14.372
  504   3HMB  HEC  98          3HM       HEC  98  -0.770  -2.418  14.411
  505    HAB  HEC  98           HT2      HEC  98   1.743   1.245  11.581
  506   1HBB  HEC  98          1HT       HEC  98   2.711  -0.948  13.234
  507   2HBB  HEC  98          2HT       HEC  98   3.508   0.076  12.015
  508   3HBB  HEC  98          3HT       HEC  98   3.216   0.706  13.653
  509   1HMC  HEC  98          1HM       HEC  98   2.389   2.215   6.442
  510   2HMC  HEC  98          2HM       HEC  98   1.332   2.935   7.679
  511   3HMC  HEC  98          3HM       HEC  98   2.566   1.742   8.148
  512    HAC  HEC  98           HT4      HEC  98  -0.982   1.549   4.513
  513   1HBC  HEC  98          1HT       HEC  98   0.944  -0.505   3.862
  514   2HBC  HEC  98          2HT       HEC  98  -0.305   0.229   2.828
  515   3HBC  HEC  98          3HT       HEC  98   1.312   0.965   2.930
  516   1HMD  HEC  98          1HM       HEC  98  -3.268  -3.753   2.656
  517   2HMD  HEC  98          2HM       HEC  98  -3.761  -2.087   3.043
  518   3HMD  HEC  98          3HM       HEC  98  -2.038  -2.478   2.829
  519   1HAD  HEC  98          1HA       HEC  98  -4.435  -6.152   5.415
  520   2HAD  HEC  98          2HA       HEC  98  -4.938  -5.059   4.103
  521   1HBD  HEC  98          3HB       HEC  98  -2.463  -5.497   3.276
  522   2HBD  HEC  98          4HB       HEC  98  -2.671  -6.983   4.234
  523    HHA  HEC 128           HGM      HEC 128   7.881   3.841  -1.391
  524    HHB  HEC 128           HDM      HEC 128   3.738  -0.462  -3.207
  525    HHC  HEC 128           HAM      HEC 128  -0.467   2.049   0.809
  526    HHD  HEC 128           HBM      HEC 128   3.642   6.536   2.151
  527   1HMA  HEC 128          1HM       HEC 128   6.567  -0.339  -4.764
  528   2HMA  HEC 128          2HM       HEC 128   7.455  -1.089  -3.416
  529   3HMA  HEC 128          3HM       HEC 128   5.704  -1.357  -3.587
  530   1HAA  HEC 128          1HA       HEC 128   8.936   0.839  -3.334
  531   2HAA  HEC 128          2HA       HEC 128   8.825   2.590  -3.036
  532   1HBA  HEC 128          3HB       HEC 128   8.986   2.068  -0.518
  533   2HBA  HEC 128          4HB       HEC 128   9.361   0.387  -0.962
  534   1HMB  HEC 128          1HM       HEC 128   0.249  -0.861  -3.805
  535   2HMB  HEC 128          2HM       HEC 128   2.001  -1.160  -3.870
  536   3HMB  HEC 128          3HM       HEC 128   0.972  -2.135  -2.795
  537    HAB  HEC 128           HT2      HEC 128  -1.558   0.729  -0.551
  538   1HBB  HEC 128          1HT       HEC 128  -1.652  -0.485   1.171
  539   2HBB  HEC 128          2HT       HEC 128  -1.683  -1.926   0.128
  540   3HBB  HEC 128          3HT       HEC 128  -0.134  -1.317   0.757
  541   1HMC  HEC 128          1HM       HEC 128  -1.682   3.316   1.722
  542   2HMC  HEC 128          2HM       HEC 128  -1.125   3.526   3.399
  543   3HMC  HEC 128          3HM       HEC 128  -1.678   4.934   2.462
  544    HAC  HEC 128           HT4      HEC 128   1.738   7.090   3.109
  545   1HBC  HEC 128          1HT       HEC 128  -0.644   5.587   4.044
  546   2HBC  HEC 128          2HT       HEC 128   0.502   6.601   4.953
  547   3HBC  HEC 128          3HT       HEC 128  -0.830   7.357   4.046
  548   1HMD  HEC 128          1HM       HEC 128   6.449   7.437   2.875
  549   2HMD  HEC 128          2HM       HEC 128   6.608   8.354   1.359
  550   3HMD  HEC 128          3HM       HEC 128   4.999   8.077   2.066
  551   1HAD  HEC 128          1HA       HEC 128   8.922   5.452  -0.197
  552   2HAD  HEC 128          2HA       HEC 128   8.441   7.116   0.212
  553   1HBD  HEC 128          3HB       HEC 128  10.056   6.012   1.789
  554   2HBD  HEC 128          4HB       HEC 128   8.585   6.680   2.534
  555    HHA  HEC 158           HGM      HEC 158  -3.823  -7.191  -6.818
  556    HHB  HEC 158           HDM      HEC 158  -3.041  -5.939 -12.884
  557    HHC  HEC 158           HAM      HEC 158  -1.016  -0.146 -11.315
  558    HHD  HEC 158           HBM      HEC 158  -1.424  -1.738  -5.306
  559   1HMA  HEC 158          1HM       HEC 158  -5.542  -8.526 -11.689
  560   2HMA  HEC 158          2HM       HEC 158  -4.618  -7.489 -12.802
  561   3HMA  HEC 158          3HM       HEC 158  -3.854  -8.927 -12.085
  562   1HAA  HEC 158          1HA       HEC 158  -5.024  -8.446  -7.639
  563   2HAA  HEC 158          2HA       HEC 158  -6.044  -8.727  -9.070
  564   1HBA  HEC 158          3HB       HEC 158  -3.612  -9.780  -9.920
  565   2HBA  HEC 158          4HB       HEC 158  -3.573 -10.172  -8.185
  566   1HMB  HEC 158          1HM       HEC 158  -2.590  -3.834 -15.360
  567   2HMB  HEC 158          2HM       HEC 158  -0.869  -4.179 -15.067
  568   3HMB  HEC 158          3HM       HEC 158  -2.113  -5.328 -14.520
  569    HAB  HEC 158           HT2      HEC 158  -0.148  -0.913 -13.769
  570   1HBB  HEC 158          1HT       HEC 158  -1.032   0.897 -13.132
  571   2HBB  HEC 158          2HT       HEC 158  -2.198   0.738 -14.467
  572   3HBB  HEC 158          3HT       HEC 158  -2.613   0.131 -12.846
  573   1HMC  HEC 158          1HM       HEC 158  -0.377   2.360  -8.797
  574   2HMC  HEC 158          2HM       HEC 158   0.823   1.452  -9.747
  575   3HMC  HEC 158          3HM       HEC 158  -0.814   1.710 -10.395
  576    HAC  HEC 158           HT4      HEC 158  -0.733   0.960  -5.616
  577   1HBC  HEC 158          1HT       HEC 158   1.370   1.575  -7.699
  578   2HBC  HEC 158          2HT       HEC 158   0.271   2.682  -6.842
  579   3HBC  HEC 158          3HT       HEC 158   1.661   1.970  -5.989
  580   1HMD  HEC 158          1HM       HEC 158  -1.031  -3.737  -3.120
  581   2HMD  HEC 158          2HM       HEC 158  -2.089  -2.338  -3.422
  582   3HMD  HEC 158          3HM       HEC 158  -2.759  -3.821  -2.702
  583   1HAD  HEC 158          1HA       HEC 158  -3.725  -5.534  -3.129
  584   2HAD  HEC 158          2HA       HEC 158  -4.725  -6.270  -4.404
  585   1HBD  HEC 158          3HB       HEC 158  -2.161  -7.402  -4.658
  586   2HBD  HEC 158          4HB       HEC 158  -2.545  -7.392  -2.920
  Start of MODEL    2
    1    H    ALA   1           HN       ALA   1   2.739  -8.936  12.842
    2    HA   ALA   1           HA       ALA   1   3.821  -8.995  10.732
    3   1HB   ALA   1          1HB       ALA   1   2.874  -6.976   9.689
    4   2HB   ALA   1          2HB       ALA   1   1.745  -7.652  10.888
    5   3HB   ALA   1          3HB       ALA   1   2.713  -6.214  11.290
    6    H    ASP   2           HN       ASP   2   4.765  -6.707   9.294
    7    HA   ASP   2           HA       ASP   2   6.627  -5.154  10.309
    8   1HB   ASP   2          2HB       ASP   2   7.555  -7.979  10.403
    9   2HB   ASP   2          3HB       ASP   2   8.688  -6.891   9.623
   10    H    VAL   3           HN       VAL   3   5.770  -7.627   7.906
   11    HA   VAL   3           HA       VAL   3   6.046  -5.873   5.752
   12    HB   VAL   3           HB       VAL   3   8.469  -6.303   6.308
   13   1HG1  VAL   3          1HG       VAL   3   9.470  -8.368   6.046
   14   2HG1  VAL   3          2HG       VAL   3   7.893  -8.838   6.725
   15   3HG1  VAL   3          3HG       VAL   3   8.185  -8.978   4.975
   16   1HG2  VAL   3          1HG       VAL   3   8.759  -7.188   3.715
   17   2HG2  VAL   3          2HG       VAL   3   7.115  -6.507   3.707
   18   3HG2  VAL   3          3HG       VAL   3   8.493  -5.499   4.210
   19    H    VAL   4           HN       VAL   4   4.651  -6.597   4.206
   20    HA   VAL   4           HA       VAL   4   3.887  -9.427   4.408
   21    HB   VAL   4           HB       VAL   4   2.371  -6.901   3.859
   22   1HG1  VAL   4          1HG       VAL   4   1.454  -9.674   3.022
   23   2HG1  VAL   4          2HG       VAL   4   0.485  -8.182   2.967
   24   3HG1  VAL   4          3HG       VAL   4   1.915  -8.352   1.921
   25   1HG2  VAL   4          1HG       VAL   4   1.632  -7.345   5.917
   26   2HG2  VAL   4          2HG       VAL   4   0.847  -8.809   5.277
   27   3HG2  VAL   4          3HG       VAL   4   2.497  -8.900   5.940
   28    H    THR   5           HN       THR   5   3.516 -10.598   2.422
   29    HA   THR   5           HA       THR   5   4.685  -9.291   0.058
   30    HB   THR   5           HB       THR   5   5.305 -11.992   1.337
   31    HG1  THR   5           HG1      THR   5   6.489  -9.900   1.764
   32   1HG2  THR   5          1HG       THR   5   5.051 -11.519  -1.473
   33   2HG2  THR   5          2HG       THR   5   6.790 -11.421  -1.107
   34   3HG2  THR   5          3HG       THR   5   5.873 -12.887  -0.686
   35    H    TYR   6           HN       TYR   6   3.240  -9.133  -1.526
   36    HA   TYR   6           HA       TYR   6   1.126 -11.177  -1.592
   37   1HB   TYR   6          2HB       TYR   6   1.402  -8.205  -2.032
   38   2HB   TYR   6          3HB       TYR   6   0.375  -9.014  -3.199
   39    HD1  TYR   6           HD1      TYR   6   0.264  -7.204  -0.287
   40    HD2  TYR   6           HD2      TYR   6  -1.273 -10.851  -1.914
   41    HE1  TYR   6           HE1      TYR   6  -1.673  -7.129   1.357
   42    HE2  TYR   6           HE2      TYR   6  -3.205 -10.764  -0.264
   43    HH   TYR   6           HH       TYR   6  -3.983  -8.002   1.455
   44    H    GLU   7           HN       GLU   7   2.264 -12.723  -2.869
   45    HA   GLU   7           HA       GLU   7   3.327 -11.792  -5.371
   46   1HB   GLU   7          2HB       GLU   7   3.244 -14.528  -4.035
   47   2HB   GLU   7          3HB       GLU   7   3.913 -14.275  -5.634
   48   1HG   GLU   7          2HG       GLU   7   5.151 -12.261  -4.154
   49   2HG   GLU   7          3HG       GLU   7   5.039 -13.561  -2.986
   50    H    ASN   8           HN       ASN   8   2.210 -11.799  -7.281
   51    HA   ASN   8           HA       ASN   8  -0.113 -13.551  -7.393
   52   1HB   ASN   8          2HB       ASN   8  -1.121 -11.642  -8.887
   53   2HB   ASN   8          3HB       ASN   8  -1.137 -11.415  -7.149
   54   1HD2  ASN   8          1HD       ASN   8   0.614 -10.204  -6.169
   55   2HD2  ASN   8          2HD       ASN   8   1.359  -8.900  -7.031
   56    H    LYS   9           HN       LYS   9  -0.890 -13.233 -10.017
   57    HA   LYS   9           HA       LYS   9   1.243 -14.429 -11.446
   58   1HB   LYS   9          2HB       LYS   9  -1.625 -13.888 -11.834
   59   2HB   LYS   9          3HB       LYS   9  -0.688 -13.818 -13.314
   60   1HG   LYS   9          2HG       LYS   9  -0.893 -16.090 -13.335
   61   2HG   LYS   9          3HG       LYS   9   0.378 -16.076 -12.129
   62   1HD   LYS   9          2HD       LYS   9  -1.044 -16.951 -10.597
   63   2HD   LYS   9          3HD       LYS   9  -2.088 -15.553 -10.750
   64   1HE   LYS   9          2HE       LYS   9  -2.178 -17.878 -12.724
   65   2HE   LYS   9          3HE       LYS   9  -3.155 -17.846 -11.269
   66   1HZ   LYS   9          1HZ       LYS   9  -3.847 -16.742 -13.597
   67   2HZ   LYS   9          2HZ       LYS   9  -4.498 -16.337 -12.154
   68   3HZ   LYS   9          3HZ       LYS   9  -3.292 -15.437 -12.789
   69    H    LYS  10           HN       LYS  10  -0.656 -11.413 -12.174
   70    HA   LYS  10           HA       LYS  10   0.886 -10.383 -14.106
   71   1HB   LYS  10          2HB       LYS  10  -1.246  -9.489 -12.870
   72   2HB   LYS  10          3HB       LYS  10  -0.099  -8.573 -11.914
   73   1HG   LYS  10          2HG       LYS  10  -0.036  -7.040 -13.583
   74   2HG   LYS  10          3HG       LYS  10   0.793  -8.225 -14.571
   75   1HD   LYS  10          2HD       LYS  10  -2.120  -8.697 -14.474
   76   2HD   LYS  10          3HD       LYS  10  -1.727  -7.107 -15.098
   77   1HE   LYS  10          2HE       LYS  10  -0.077  -8.219 -16.694
   78   2HE   LYS  10          3HE       LYS  10  -0.668  -9.774 -16.143
   79   1HZ   LYS  10          1HZ       LYS  10  -1.727  -8.660 -18.172
   80   2HZ   LYS  10          2HZ       LYS  10  -2.696  -9.412 -17.095
   81   3HZ   LYS  10          3HZ       LYS  10  -2.573  -7.783 -17.084
   82    H    GLY  11           HN       GLY  11   1.342  -9.151 -10.727
   83   1HA   GLY  11          1HA       GLY  11   4.183  -9.670 -10.832
   84   2HA   GLY  11          2HA       GLY  11   3.757  -7.979 -11.009
   85    H    ASN  12           HN       ASN  12   4.830 -10.060  -8.760
   86    HA   ASN  12           HA       ASN  12   3.071  -9.933  -6.669
   87   1HB   ASN  12          2HB       ASN  12   5.132 -10.256  -5.227
   88   2HB   ASN  12          3HB       ASN  12   5.067 -11.357  -6.590
   89   1HD2  ASN  12          1HD       ASN  12   6.973  -9.292  -4.885
   90   2HD2  ASN  12          2HD       ASN  12   8.209  -8.938  -6.044
   91    H    VAL  13           HN       VAL  13   2.690  -8.354  -5.020
   92    HA   VAL  13           HA       VAL  13   4.143  -5.822  -5.369
   93    HB   VAL  13           HB       VAL  13   1.915  -5.565  -6.186
   94   1HG1  VAL  13          1HG       VAL  13   0.921  -6.664  -3.535
   95   2HG1  VAL  13          2HG       VAL  13  -0.081  -6.082  -4.887
   96   3HG1  VAL  13          3HG       VAL  13   0.917  -7.543  -5.082
   97   1HG2  VAL  13          1HG       VAL  13   2.768  -3.684  -4.908
   98   2HG2  VAL  13          2HG       VAL  13   1.019  -3.856  -4.625
   99   3HG2  VAL  13          3HG       VAL  13   2.179  -4.406  -3.392
  100    H    THR  14           HN       THR  14   5.726  -6.645  -3.814
  101    HA   THR  14           HA       THR  14   5.068  -7.600  -1.292
  102    HB   THR  14           HB       THR  14   7.464  -6.047  -2.393
  103    HG1  THR  14           HG1      THR  14   7.998  -8.138  -2.958
  104   1HG2  THR  14          1HG       THR  14   6.894  -6.613   0.349
  105   2HG2  THR  14          2HG       THR  14   8.022  -7.879  -0.190
  106   3HG2  THR  14          3HG       THR  14   8.471  -6.163  -0.346
  107    H    PHE  15           HN       PHE  15   4.867  -6.676   0.768
  108    HA   PHE  15           HA       PHE  15   4.134  -3.835   0.653
  109   1HB   PHE  15          2HB       PHE  15   3.129  -6.321   2.103
  110   2HB   PHE  15          3HB       PHE  15   2.903  -4.769   2.886
  111    HD1  PHE  15           HD1      PHE  15   2.824  -4.557  -0.683
  112    HD2  PHE  15           HD2      PHE  15   0.453  -5.442   2.722
  113    HE1  PHE  15           HE1      PHE  15   0.743  -4.178  -2.034
  114    HE2  PHE  15           HE2      PHE  15  -1.629  -5.061   1.372
  115    HZ   PHE  15           HZ       PHE  15  -1.459  -4.434  -0.990
  116    H    ASP  16           HN       ASP  16   4.022  -3.199   3.324
  117    HA   ASP  16           HA       ASP  16   6.377  -4.149   4.615
  118   1HB   ASP  16          2HB       ASP  16   6.163  -1.260   3.647
  119   2HB   ASP  16          3HB       ASP  16   7.325  -1.793   4.846
  120    H    HIS  17           HN       HIS  17   5.914  -4.079   6.833
  121    HA   HIS  17           HA       HIS  17   3.650  -2.403   7.611
  122   1HB   HIS  17          2HB       HIS  17   4.305  -5.122   8.090
  123   2HB   HIS  17          3HB       HIS  17   4.456  -4.298   9.630
  124    HD1  HIS  17           HD1      HIS  17   2.064  -6.224   8.081
  125    HD2  HIS  17           HD2      HIS  17   1.900  -2.337   9.650
  126    HE1  HIS  17           HE1      HIS  17  -0.396  -5.750   8.560
  127    H    LYS  18           HN       LYS  18   7.037  -3.317   8.413
  128    HA   LYS  18           HA       LYS  18   7.073  -1.128  10.358
  129   1HB   LYS  18          2HB       LYS  18   7.740  -3.456  11.066
  130   2HB   LYS  18          3HB       LYS  18   9.108  -3.340   9.978
  131   1HG   LYS  18          2HG       LYS  18   9.285  -0.940  11.379
  132   2HG   LYS  18          3HG       LYS  18   8.672  -2.032  12.607
  133   1HD   LYS  18          2HD       LYS  18  10.633  -3.215  12.720
  134   2HD   LYS  18          3HD       LYS  18  10.848  -3.217  10.981
  135   1HE   LYS  18          2HE       LYS  18  12.351  -1.522  11.123
  136   2HE   LYS  18          3HE       LYS  18  11.173  -0.499  11.922
  137   1HZ   LYS  18          1HZ       LYS  18  13.337  -1.281  13.112
  138   2HZ   LYS  18          2HZ       LYS  18  11.948  -1.073  13.946
  139   3HZ   LYS  18          3HZ       LYS  18  12.420  -2.573  13.509
  140    H    ALA  19           HN       ALA  19   8.213  -2.224   7.210
  141    HA   ALA  19           HA       ALA  19  10.375  -0.368   7.066
  142   1HB   ALA  19          1HB       ALA  19  10.838  -1.948   5.520
  143   2HB   ALA  19          2HB       ALA  19   9.142  -2.483   5.439
  144   3HB   ALA  19          3HB       ALA  19   9.684  -1.091   4.471
  145    H    HIS  20           HN       HIS  20   6.890  -0.307   6.545
  146    HA   HIS  20           HA       HIS  20   7.129   2.211   5.105
  147   1HB   HIS  20          2HB       HIS  20   5.155   0.045   5.253
  148   2HB   HIS  20          3HB       HIS  20   4.432   1.638   5.358
  149    HD1  HIS  20           HD1      HIS  20   4.371  -0.487   2.874
  150    HD2  HIS  20           HD2      HIS  20   6.559   3.081   3.144
  151    HE1  HIS  20           HE1      HIS  20   4.852   0.240   0.476
  152    H    ALA  21           HN       ALA  21   5.344   0.797   7.942
  153    HA   ALA  21           HA       ALA  21   4.215   2.982   8.987
  154   1HB   ALA  21          1HB       ALA  21   4.648   1.906  11.229
  155   2HB   ALA  21          2HB       ALA  21   4.005   0.794   9.997
  156   3HB   ALA  21          3HB       ALA  21   5.736   0.761  10.407
  157    H    GLU  22           HN       GLU  22   7.696   2.044   9.337
  158    HA   GLU  22           HA       GLU  22   8.607   3.803  11.061
  159   1HB   GLU  22          2HB       GLU  22  10.733   3.720   9.941
  160   2HB   GLU  22          3HB       GLU  22   9.944   2.185   9.632
  161   1HG   GLU  22          2HG       GLU  22   9.272   2.895   7.392
  162   2HG   GLU  22          3HG       GLU  22   9.790   4.541   7.698
  163    H    LYS  23           HN       LYS  23   7.344   4.575   7.821
  164    HA   LYS  23           HA       LYS  23   7.944   7.401   8.336
  165   1HB   LYS  23          2HB       LYS  23   7.801   5.758   5.837
  166   2HB   LYS  23          3HB       LYS  23   7.339   7.445   5.751
  167   1HG   LYS  23          2HG       LYS  23   9.853   6.927   7.269
  168   2HG   LYS  23          3HG       LYS  23   9.935   6.521   5.565
  169   1HD   LYS  23          2HD       LYS  23   8.843   8.887   5.181
  170   2HD   LYS  23          3HD       LYS  23   9.333   9.217   6.830
  171   1HE   LYS  23          2HE       LYS  23  11.633   9.080   6.325
  172   2HE   LYS  23          3HE       LYS  23  11.376   8.052   4.929
  173   1HZ   LYS  23          1HZ       LYS  23  10.487  10.847   5.036
  174   2HZ   LYS  23          2HZ       LYS  23  11.930  10.388   4.423
  175   3HZ   LYS  23          3HZ       LYS  23  10.545   9.880   3.722
  176    H    LEU  24           HN       LEU  24   5.443   5.283   6.755
  177    HA   LEU  24           HA       LEU  24   3.408   7.027   6.604
  178   1HB   LEU  24          2HB       LEU  24   3.447   4.099   7.288
  179   2HB   LEU  24          3HB       LEU  24   1.941   4.976   7.109
  180    HG   LEU  24           HG       LEU  24   2.659   5.618   4.788
  181   1HD1  LEU  24          1HD       LEU  24   4.455   4.157   3.770
  182   2HD1  LEU  24          2HD       LEU  24   5.020   5.435   4.874
  183   3HD1  LEU  24          3HD       LEU  24   4.945   3.746   5.431
  184   1HD2  LEU  24          1HD       LEU  24   1.449   3.320   5.714
  185   2HD2  LEU  24          2HD       LEU  24   1.506   3.868   4.020
  186   3HD2  LEU  24          3HD       LEU  24   2.706   2.697   4.618
  187    H    GLY  25           HN       GLY  25   3.474   4.722   9.397
  188   1HA   GLY  25          1HA       GLY  25   3.653   5.663  11.643
  189   2HA   GLY  25          2HA       GLY  25   2.627   6.982  11.112
  190    H    CYS  26           HN       CYS  26   1.811   3.918   9.683
  191    HA   CYS  26           HA       CYS  26   0.237   2.422  10.066
  192   1HB   CYS  26          2HB       CYS  26  -0.506   3.386  12.781
  193   2HB   CYS  26          3HB       CYS  26  -0.375   1.753  12.160
  194    H    ASP  27           HN       ASP  27  -0.822   5.307  12.028
  195    HA   ASP  27           HA       ASP  27  -3.403   5.318  11.392
  196   1HB   ASP  27          2HB       ASP  27  -1.391   7.476  11.945
  197   2HB   ASP  27          3HB       ASP  27  -2.941   8.008  11.323
  198    H    ALA  28           HN       ALA  28  -0.639   6.091   9.318
  199    HA   ALA  28           HA       ALA  28  -1.809   7.694   7.402
  200   1HB   ALA  28          1HB       ALA  28   0.267   7.501   6.564
  201   2HB   ALA  28          2HB       ALA  28   0.617   6.289   7.819
  202   3HB   ALA  28          3HB       ALA  28   0.014   5.771   6.227
  203    H    CYS  29           HN       CYS  29  -1.935   4.138   7.894
  204    HA   CYS  29           HA       CYS  29  -3.695   3.980   5.566
  205   1HB   CYS  29          2HB       CYS  29  -2.445   1.661   7.035
  206   2HB   CYS  29          3HB       CYS  29  -3.228   1.649   5.467
  207    H    HIS  30           HN       HIS  30  -3.259   2.670   8.940
  208    HA   HIS  30           HA       HIS  30  -6.048   2.045   9.092
  209   1HB   HIS  30          2HB       HIS  30  -3.894   1.950  11.222
  210   2HB   HIS  30          3HB       HIS  30  -5.497   1.254  11.348
  211    HD1  HIS  30           HD1      HIS  30  -5.856  -1.069  10.370
  212    HD2  HIS  30           HD2      HIS  30  -2.178   0.621   9.272
  213    HE1  HIS  30           HE1      HIS  30  -4.533  -2.923   9.222
  214    H    GLU  31           HN       GLU  31  -7.048   2.764  11.445
  215    HA   GLU  31           HA       GLU  31  -6.379   5.466  12.058
  216   1HB   GLU  31          2HB       GLU  31  -7.844   5.723  10.044
  217   2HB   GLU  31          3HB       GLU  31  -9.118   4.848  10.867
  218   1HG   GLU  31          2HG       GLU  31  -8.977   6.614  12.733
  219   2HG   GLU  31          3HG       GLU  31  -7.915   7.530  11.682
  220    H    GLY  32           HN       GLY  32  -6.099   4.899  14.221
  221   1HA   GLY  32          1HA       GLY  32  -6.669   4.365  16.327
  222   2HA   GLY  32          2HA       GLY  32  -8.322   4.750  15.894
  223    H    THR  33           HN       THR  33  -5.968   2.197  16.434
  224    HA   THR  33           HA       THR  33  -6.194   0.005  16.736
  225    HB   THR  33           HB       THR  33  -9.207   0.556  16.640
  226    HG1  THR  33           HG1      THR  33  -7.829   1.869  18.149
  227   1HG2  THR  33          1HG       THR  33  -8.699  -1.865  16.709
  228   2HG2  THR  33          2HG       THR  33  -7.501  -1.597  17.998
  229   3HG2  THR  33          3HG       THR  33  -9.232  -1.331  18.321
  230    HA   PRO  34           HA       PRO  34  -6.468  -0.953  12.467
  231   1HB   PRO  34          2HB       PRO  34  -4.436  -2.780  12.441
  232   2HB   PRO  34          3HB       PRO  34  -4.187  -1.064  12.185
  233   1HG   PRO  34          2HG       PRO  34  -3.589  -2.686  14.583
  234   2HG   PRO  34          3HG       PRO  34  -2.974  -1.104  14.148
  235   1HD   PRO  34          2HD       PRO  34  -5.003  -1.682  16.091
  236   2HD   PRO  34          3HD       PRO  34  -4.471  -0.095  15.572
  237    H    ALA  35           HN       ALA  35  -6.304  -3.282  11.260
  238    HA   ALA  35           HA       ALA  35  -7.237  -5.457  12.714
  239   1HB   ALA  35          1HB       ALA  35  -9.195  -3.601  12.754
  240   2HB   ALA  35          2HB       ALA  35  -9.566  -4.369  11.192
  241   3HB   ALA  35          3HB       ALA  35  -9.528  -5.348  12.677
  242    H    LYS  36           HN       LYS  36  -7.711  -3.615   9.623
  243    HA   LYS  36           HA       LYS  36  -6.177  -5.383   8.127
  244   1HB   LYS  36          2HB       LYS  36  -7.659  -6.810   7.050
  245   2HB   LYS  36          3HB       LYS  36  -8.202  -6.865   8.716
  246   1HG   LYS  36          2HG       LYS  36 -10.255  -6.157   8.073
  247   2HG   LYS  36          3HG       LYS  36  -9.560  -4.657   7.494
  248   1HD   LYS  36          2HD       LYS  36 -10.599  -5.549   5.563
  249   2HD   LYS  36          3HD       LYS  36  -8.916  -5.982   5.345
  250   1HE   LYS  36          2HE       LYS  36  -9.387  -8.208   5.413
  251   2HE   LYS  36          3HE       LYS  36 -10.296  -8.041   6.902
  252   1HZ   LYS  36          1HZ       LYS  36 -12.075  -7.067   5.380
  253   2HZ   LYS  36          2HZ       LYS  36 -11.255  -7.781   4.161
  254   3HZ   LYS  36          3HZ       LYS  36 -11.860  -8.687   5.378
  255    H    ILE  37           HN       ILE  37  -7.214  -5.096   5.588
  256    HA   ILE  37           HA       ILE  37  -8.177  -2.405   5.272
  257    HB   ILE  37           HB       ILE  37  -5.369  -3.166   4.471
  258   1HG1  ILE  37          2HG       ILE  37  -6.516  -1.077   6.336
  259   2HG1  ILE  37          3HG       ILE  37  -5.462  -2.416   6.742
  260   1HG2  ILE  37          1HG       ILE  37  -7.085  -0.839   3.582
  261   2HG2  ILE  37          2HG       ILE  37  -5.310  -0.862   3.453
  262   3HG2  ILE  37          3HG       ILE  37  -6.281  -2.066   2.573
  263   1HD1  ILE  37          1HD       ILE  37  -3.892  -1.232   4.878
  264   2HD1  ILE  37          2HD       ILE  37  -4.802   0.196   5.429
  265   3HD1  ILE  37          3HD       ILE  37  -3.857  -0.761   6.594
  266    H    ALA  38           HN       ALA  38  -8.713  -1.951   2.974
  267    HA   ALA  38           HA       ALA  38  -9.683  -4.359   1.750
  268   1HB   ALA  38          1HB       ALA  38 -10.767  -2.785   0.198
  269   2HB   ALA  38          2HB       ALA  38 -11.024  -2.279   1.885
  270   3HB   ALA  38          3HB       ALA  38  -9.817  -1.442   0.880
  271    H    ILE  39           HN       ILE  39  -8.013  -5.599   0.911
  272    HA   ILE  39           HA       ILE  39  -6.544  -4.320  -1.270
  273    HB   ILE  39           HB       ILE  39  -5.288  -6.121   0.803
  274   1HG1  ILE  39          2HG       ILE  39  -5.937  -3.726   1.512
  275   2HG1  ILE  39          3HG       ILE  39  -4.303  -4.282   1.815
  276   1HG2  ILE  39          1HG       ILE  39  -3.175  -5.247  -0.389
  277   2HG2  ILE  39          2HG       ILE  39  -4.134  -6.522  -1.180
  278   3HG2  ILE  39          3HG       ILE  39  -4.277  -4.834  -1.725
  279   1HD1  ILE  39          1HD       ILE  39  -4.690  -1.921   0.698
  280   2HD1  ILE  39          2HD       ILE  39  -3.379  -2.966   0.098
  281   3HD1  ILE  39          3HD       ILE  39  -4.918  -2.870  -0.790
  282    H    ASP  40           HN       ASP  40  -7.189  -5.340  -3.084
  283    HA   ASP  40           HA       ASP  40  -6.939  -8.144  -3.227
  284   1HB   ASP  40          2HB       ASP  40  -9.171  -8.066  -2.186
  285   2HB   ASP  40          3HB       ASP  40  -9.719  -6.889  -3.363
  286    H    LYS  41           HN       LYS  41  -8.991  -5.502  -4.701
  287    HA   LYS  41           HA       LYS  41  -7.337  -5.606  -7.088
  288   1HB   LYS  41          2HB       LYS  41  -9.148  -7.286  -7.421
  289   2HB   LYS  41          3HB       LYS  41 -10.339  -6.020  -7.202
  290   1HG   LYS  41          2HG       LYS  41  -9.104  -4.750  -9.108
  291   2HG   LYS  41          3HG       LYS  41  -8.267  -6.257  -9.421
  292   1HD   LYS  41          2HD       LYS  41 -10.115  -7.244 -10.357
  293   2HD   LYS  41          3HD       LYS  41 -11.203  -6.585  -9.150
  294   1HE   LYS  41          2HE       LYS  41 -10.864  -4.292 -10.345
  295   2HE   LYS  41          3HE       LYS  41 -10.147  -5.210 -11.654
  296   1HZ   LYS  41          1HZ       LYS  41 -12.780  -4.783 -11.292
  297   2HZ   LYS  41          2HZ       LYS  41 -12.133  -5.909 -12.282
  298   3HZ   LYS  41          3HZ       LYS  41 -12.603  -6.321 -10.774
  299    H    LYS  42           HN       LYS  42 -10.340  -4.167  -7.715
  300    HA   LYS  42           HA       LYS  42  -9.506  -1.681  -8.134
  301   1HB   LYS  42          2HB       LYS  42 -12.075  -2.934  -7.490
  302   2HB   LYS  42          3HB       LYS  42 -12.019  -1.244  -7.036
  303   1HG   LYS  42          2HG       LYS  42 -11.099  -2.214  -9.775
  304   2HG   LYS  42          3HG       LYS  42 -12.764  -1.775  -9.455
  305   1HD   LYS  42          2HD       LYS  42 -12.209   0.384  -9.869
  306   2HD   LYS  42          3HD       LYS  42 -11.268   0.373  -8.391
  307   1HE   LYS  42          2HE       LYS  42  -9.376   0.621  -9.616
  308   2HE   LYS  42          3HE       LYS  42  -9.656  -0.948 -10.342
  309   1HZ   LYS  42          1HZ       LYS  42 -11.138   0.204 -11.927
  310   2HZ   LYS  42          2HZ       LYS  42 -10.645   1.637 -11.317
  311   3HZ   LYS  42          3HZ       LYS  42  -9.571   0.647 -12.049
  312    H    SER  43           HN       SER  43 -10.493  -3.003  -4.919
  313    HA   SER  43           HA       SER  43 -10.360  -0.720  -3.479
  314   1HB   SER  43          2HB       SER  43  -9.264  -3.381  -2.486
  315   2HB   SER  43          3HB       SER  43 -10.025  -2.122  -1.533
  316    HG   SER  43           HG       SER  43 -11.199  -4.218  -2.800
  317    H    ALA  44           HN       ALA  44  -7.645  -3.133  -3.822
  318    HA   ALA  44           HA       ALA  44  -5.713  -1.520  -2.650
  319   1HB   ALA  44          1HB       ALA  44  -4.152  -3.127  -3.537
  320   2HB   ALA  44          2HB       ALA  44  -5.639  -4.011  -3.117
  321   3HB   ALA  44          3HB       ALA  44  -5.289  -3.613  -4.816
  322    H    HIS  45           HN       HIS  45  -7.359  -1.231  -5.682
  323    HA   HIS  45           HA       HIS  45  -5.186   0.381  -6.773
  324   1HB   HIS  45          2HB       HIS  45  -7.534  -1.063  -7.944
  325   2HB   HIS  45          3HB       HIS  45  -6.915   0.344  -8.786
  326    HD1  HIS  45           HD1      HIS  45  -6.269  -1.430 -10.709
  327    HD2  HIS  45           HD2      HIS  45  -4.114  -1.733  -7.123
  328    HE1  HIS  45           HE1      HIS  45  -4.212  -2.847 -11.228
  329    H    LYS  46           HN       LYS  46  -7.682   0.767  -4.664
  330    HA   LYS  46           HA       LYS  46  -8.449   3.369  -5.781
  331   1HB   LYS  46          2HB       LYS  46 -10.031   1.278  -4.827
  332   2HB   LYS  46          3HB       LYS  46 -10.016   2.428  -3.506
  333   1HG   LYS  46          2HG       LYS  46 -11.065   4.101  -4.752
  334   2HG   LYS  46          3HG       LYS  46 -10.400   3.541  -6.274
  335   1HD   LYS  46          2HD       LYS  46 -11.913   1.440  -5.962
  336   2HD   LYS  46          3HD       LYS  46 -12.728   2.358  -4.711
  337   1HE   LYS  46          2HE       LYS  46 -12.315   3.745  -7.347
  338   2HE   LYS  46          3HE       LYS  46 -13.485   2.440  -7.320
  339   1HZ   LYS  46          1HZ       LYS  46 -13.811   4.093  -5.074
  340   2HZ   LYS  46          2HZ       LYS  46 -13.861   4.994  -6.435
  341   3HZ   LYS  46          3HZ       LYS  46 -14.886   3.736  -6.251
  342    H    ASP  47           HN       ASP  47  -9.408   4.351  -3.191
  343    HA   ASP  47           HA       ASP  47  -7.290   5.757  -2.380
  344   1HB   ASP  47          2HB       ASP  47  -9.928   5.167  -1.395
  345   2HB   ASP  47          3HB       ASP  47  -8.841   5.083  -0.023
  346    H    ALA  48           HN       ALA  48  -8.086   2.377  -1.694
  347    HA   ALA  48           HA       ALA  48  -6.896   1.791   0.639
  348   1HB   ALA  48          1HB       ALA  48  -6.691  -0.413  -0.183
  349   2HB   ALA  48          2HB       ALA  48  -7.996   0.291  -1.168
  350   3HB   ALA  48          3HB       ALA  48  -6.356   0.139  -1.841
  351    H    CYS  49           HN       CYS  49  -5.144   1.900  -2.551
  352    HA   CYS  49           HA       CYS  49  -2.693   2.278  -1.002
  353   1HB   CYS  49          2HB       CYS  49  -3.131   0.361  -2.797
  354   2HB   CYS  49          3HB       CYS  49  -2.633   1.620  -3.911
  355    H    LYS  50           HN       LYS  50  -3.830   3.104  -4.360
  356    HA   LYS  50           HA       LYS  50  -2.365   5.372  -4.674
  357   1HB   LYS  50          2HB       LYS  50  -5.122   4.714  -5.752
  358   2HB   LYS  50          3HB       LYS  50  -4.122   6.028  -6.336
  359   1HG   LYS  50          2HG       LYS  50  -2.406   3.768  -6.309
  360   2HG   LYS  50          3HG       LYS  50  -3.933   3.164  -6.919
  361   1HD   LYS  50          2HD       LYS  50  -2.900   5.777  -8.023
  362   2HD   LYS  50          3HD       LYS  50  -2.120   4.297  -8.546
  363   1HE   LYS  50          2HE       LYS  50  -4.897   3.736  -8.694
  364   2HE   LYS  50          3HE       LYS  50  -4.740   5.371  -9.305
  365   1HZ   LYS  50          1HZ       LYS  50  -3.201   4.649 -10.901
  366   2HZ   LYS  50          2HZ       LYS  50  -3.023   3.175 -10.220
  367   3HZ   LYS  50          3HZ       LYS  50  -4.426   3.569 -10.957
  368    H    THR  51           HN       THR  51  -2.133   6.822  -3.004
  369    HA   THR  51           HA       THR  51  -4.099   8.754  -2.627
  370    HB   THR  51           HB       THR  51  -4.252   6.347  -0.850
  371    HG1  THR  51           HG1      THR  51  -5.842   7.461  -2.428
  372   1HG2  THR  51          1HG       THR  51  -5.370   8.182   0.811
  373   2HG2  THR  51          2HG       THR  51  -3.689   7.634   1.017
  374   3HG2  THR  51          3HG       THR  51  -4.029   9.170   0.183
  375    H    CYS  52           HN       CYS  52  -1.907   7.128  -0.243
  376    HA   CYS  52           HA       CYS  52  -0.583   9.689   0.056
  377   1HB   CYS  52          2HB       CYS  52  -1.213   8.696   2.109
  378   2HB   CYS  52          3HB       CYS  52  -0.558   7.135   1.655
  379    H    HIS  53           HN       HIS  53   0.146   9.197  -2.348
  380    HA   HIS  53           HA       HIS  53   2.845   8.302  -2.171
  381   1HB   HIS  53          2HB       HIS  53   0.810   6.448  -3.062
  382   2HB   HIS  53          3HB       HIS  53   1.912   6.805  -4.377
  383    HD1  HIS  53           HD1      HIS  53   4.384   6.012  -4.144
  384    HD2  HIS  53           HD2      HIS  53   1.952   5.055  -0.863
  385    HE1  HIS  53           HE1      HIS  53   5.699   4.332  -2.745
  386    H    LYS  54           HN       LYS  54   0.050   9.109  -4.329
  387    HA   LYS  54           HA       LYS  54   1.725  10.248  -6.316
  388   1HB   LYS  54          2HB       LYS  54  -0.505  11.125  -7.172
  389   2HB   LYS  54          3HB       LYS  54  -0.323   9.386  -7.070
  390   1HG   LYS  54          2HG       LYS  54  -1.715   9.213  -5.156
  391   2HG   LYS  54          3HG       LYS  54  -1.487  10.894  -4.714
  392   1HD   LYS  54          2HD       LYS  54  -3.237  11.577  -6.004
  393   2HD   LYS  54          3HD       LYS  54  -2.677  10.662  -7.389
  394   1HE   LYS  54          2HE       LYS  54  -3.756   8.637  -6.613
  395   2HE   LYS  54          3HE       LYS  54  -4.050   9.315  -5.024
  396   1HZ   LYS  54          1HZ       LYS  54  -5.553  10.881  -6.007
  397   2HZ   LYS  54          2HZ       LYS  54  -5.235  10.335  -7.513
  398   3HZ   LYS  54          3HZ       LYS  54  -5.999   9.371  -6.440
  399    H    SER  55           HN       SER  55   3.074  11.547  -4.767
  400    HA   SER  55           HA       SER  55   2.263  14.211  -4.919
  401   1HB   SER  55          2HB       SER  55   0.905  13.334  -2.900
  402   2HB   SER  55          3HB       SER  55   2.436  13.187  -2.059
  403    HG   SER  55           HG       SER  55   2.764  15.429  -2.204
  404    H    ASN  56           HN       ASN  56   4.171  12.084  -2.652
  405    HA   ASN  56           HA       ASN  56   6.444  13.797  -3.147
  406   1HB   ASN  56          2HB       ASN  56   5.634  12.919  -0.794
  407   2HB   ASN  56          3HB       ASN  56   6.377  11.402  -1.262
  408   1HD2  ASN  56          1HD       ASN  56   6.942  14.858  -0.826
  409   2HD2  ASN  56          2HD       ASN  56   8.634  14.776  -0.466
  410    H    ASN  57           HN       ASN  57   5.694  10.233  -2.845
  411    HA   ASN  57           HA       ASN  57   7.905   9.143  -3.769
  412   1HB   ASN  57          2HB       ASN  57   4.992   8.465  -4.300
  413   2HB   ASN  57          3HB       ASN  57   6.240   7.481  -5.039
  414   1HD2  ASN  57          1HD       ASN  57   4.909   8.670  -2.016
  415   2HD2  ASN  57          2HD       ASN  57   5.542   7.440  -0.973
  416    H    GLY  58           HN       GLY  58   5.165   9.268  -6.129
  417   1HA   GLY  58          1HA       GLY  58   5.533  10.890  -8.044
  418   2HA   GLY  58          2HA       GLY  58   7.085  10.094  -8.217
  419    HA   PRO  59           HA       PRO  59   5.218   6.801 -10.348
  420   1HB   PRO  59          2HB       PRO  59   6.365   4.514  -9.387
  421   2HB   PRO  59          3HB       PRO  59   7.168   5.587 -10.517
  422   1HG   PRO  59          2HG       PRO  59   7.651   5.248  -7.620
  423   2HG   PRO  59          3HG       PRO  59   8.691   5.974  -8.829
  424   1HD   PRO  59          2HD       PRO  59   7.094   7.353  -6.886
  425   2HD   PRO  59          3HD       PRO  59   8.044   8.078  -8.168
  426    H    THR  60           HN       THR  60   3.054   7.220  -9.726
  427    HA   THR  60           HA       THR  60   2.137   5.323  -7.673
  428    HB   THR  60           HB       THR  60   1.763   7.808  -7.319
  429    HG1  THR  60           HG1      THR  60  -0.613   6.231  -8.006
  430   1HG2  THR  60          1HG       THR  60   1.186   8.918  -9.281
  431   2HG2  THR  60          2HG       THR  60   0.471   7.459 -10.009
  432   3HG2  THR  60          3HG       THR  60  -0.451   8.401  -8.812
  433    H    LYS  61           HN       LYS  61   2.650   5.317 -10.889
  434    HA   LYS  61           HA       LYS  61   0.079   4.007 -11.441
  435   1HB   LYS  61          2HB       LYS  61   0.183   4.729 -13.626
  436   2HB   LYS  61          3HB       LYS  61   0.889   6.090 -12.779
  437   1HG   LYS  61          2HG       LYS  61   3.179   4.808 -13.179
  438   2HG   LYS  61          3HG       LYS  61   2.281   3.958 -14.421
  439   1HD   LYS  61          2HD       LYS  61   1.543   6.481 -15.071
  440   2HD   LYS  61          3HD       LYS  61   3.066   6.861 -14.291
  441   1HE   LYS  61          2HE       LYS  61   4.330   5.549 -15.843
  442   2HE   LYS  61          3HE       LYS  61   2.918   4.663 -16.385
  443   1HZ   LYS  61          1HZ       LYS  61   2.148   6.517 -17.531
  444   2HZ   LYS  61          2HZ       LYS  61   3.154   7.556 -16.773
  445   3HZ   LYS  61          3HZ       LYS  61   3.747   6.490 -17.858
  446    H    CYS  62           HN       CYS  62   0.997   2.599 -13.773
  447    HA   CYS  62           HA       CYS  62   1.813   0.250 -12.646
  448   1HB   CYS  62          2HB       CYS  62   1.421   1.304 -15.311
  449   2HB   CYS  62          3HB       CYS  62   2.801   0.224 -15.277
  450    H    GLY  63           HN       GLY  63   3.930  -0.895 -12.776
  451   1HA   GLY  63          1HA       GLY  63   6.212  -1.002 -12.885
  452   2HA   GLY  63          2HA       GLY  63   6.289   0.689 -13.336
  453    H    GLY  64           HN       GLY  64   4.778   1.884 -11.225
  454   1HA   GLY  64          1HA       GLY  64   6.538   2.527  -9.335
  455   2HA   GLY  64          2HA       GLY  64   4.821   2.391  -9.008
  456    H    CYS  65           HN       CYS  65   3.950   0.375  -8.117
  457    HA   CYS  65           HA       CYS  65   5.856  -0.854  -6.368
  458   1HB   CYS  65          2HB       CYS  65   3.808  -2.113  -5.570
  459   2HB   CYS  65          3HB       CYS  65   3.828  -0.376  -5.333
  460    H    HIS  66           HN       HIS  66   3.505  -1.922  -8.937
  461    HA   HIS  66           HA       HIS  66   4.363  -4.566  -8.982
  462   1HB   HIS  66          2HB       HIS  66   2.861  -2.790 -10.885
  463   2HB   HIS  66          3HB       HIS  66   3.347  -4.394 -11.395
  464    HD1  HIS  66           HD1      HIS  66   2.729  -6.194  -9.095
  465    HD2  HIS  66           HD2      HIS  66   0.265  -2.948 -10.089
  466    HE1  HIS  66           HE1      HIS  66   0.435  -6.708  -8.103
  467    H    ILE  67           HN       ILE  67   6.113  -5.580  -9.867
  468    HA   ILE  67           HA       ILE  67   7.677  -4.055 -11.818
  469    HB   ILE  67           HB       ILE  67   8.670  -5.363  -9.293
  470   1HG1  ILE  67          2HG       ILE  67   9.312  -2.603 -10.325
  471   2HG1  ILE  67          3HG       ILE  67   7.843  -2.909  -9.417
  472   1HG2  ILE  67          1HG       ILE  67  10.920  -5.141 -10.058
  473   2HG2  ILE  67          2HG       ILE  67  10.020  -6.065 -11.285
  474   3HG2  ILE  67          3HG       ILE  67  10.396  -4.347 -11.563
  475   1HD1  ILE  67          1HD       ILE  67   9.221  -2.454  -7.627
  476   2HD1  ILE  67          2HD       ILE  67   9.616  -4.181  -7.791
  477   3HD1  ILE  67          3HD       ILE  67  10.690  -2.952  -8.500
  478    H    LYS  68           HN       LYS  68   7.292  -5.221 -13.645
  479    HA   LYS  68           HA       LYS  68   6.944  -6.994 -14.954
  480   1HB   LYS  68          2HB       LYS  68   9.574  -7.379 -13.604
  481   2HB   LYS  68          3HB       LYS  68   8.963  -8.723 -14.549
  482   1HG   LYS  68          2HG       LYS  68   8.750  -6.018 -15.826
  483   2HG   LYS  68          3HG       LYS  68  10.374  -6.645 -15.626
  484   1HD   LYS  68          2HD       LYS  68  10.072  -7.957 -17.447
  485   2HD   LYS  68          3HD       LYS  68   8.821  -8.834 -16.591
  486   1HE   LYS  68          2HE       LYS  68   7.986  -6.187 -17.707
  487   2HE   LYS  68          3HE       LYS  68   8.387  -7.407 -18.899
  488   1HZ   LYS  68          1HZ       LYS  68   6.891  -8.742 -17.099
  489   2HZ   LYS  68          2HZ       LYS  68   6.160  -7.283 -17.151
  490   3HZ   LYS  68          3HZ       LYS  68   6.354  -8.148 -18.522
  491    HHA  HEC  98           HGM      HEC  98  -4.073  -5.551   7.744
  492    HHB  HEC  98           HDM      HEC  98  -1.754  -3.270  13.072
  493    HHC  HEC  98           HAM      HEC  98   1.733   0.793   9.687
  494    HHD  HEC  98           HBM      HEC  98  -1.034  -1.298   4.511
  495   1HMA  HEC  98          1HM       HEC  98  -4.166  -5.636  13.196
  496   2HMA  HEC  98          2HM       HEC  98  -2.845  -6.782  12.869
  497   3HMA  HEC  98          3HM       HEC  98  -2.487  -5.191  13.580
  498   1HAA  HEC  98          1HA       HEC  98  -4.534  -7.342  10.972
  499   2HAA  HEC  98          2HA       HEC  98  -5.067  -6.617   9.436
  500   1HBA  HEC  98          3HB       HEC  98  -3.993  -8.476   8.522
  501   2HBA  HEC  98          4HB       HEC  98  -2.549  -7.454   8.708
  502   1HMB  HEC  98          1HM       HEC  98  -1.196  -1.945  14.412
  503   2HMB  HEC  98          2HM       HEC  98   0.486  -1.465  14.739
  504   3HMB  HEC  98          3HM       HEC  98  -0.766  -0.220  14.513
  505    HAB  HEC  98           HT2      HEC  98   2.019   1.285  11.637
  506   1HBB  HEC  98          1HT       HEC  98   3.492  -0.536  12.103
  507   2HBB  HEC  98          2HT       HEC  98   3.773   0.907  13.105
  508   3HBB  HEC  98          3HT       HEC  98   2.964  -0.516  13.802
  509   1HMC  HEC  98          1HM       HEC  98   1.783   2.851   7.630
  510   2HMC  HEC  98          2HM       HEC  98   2.939   1.636   8.227
  511   3HMC  HEC  98          3HM       HEC  98   2.865   2.016   6.490
  512    HAC  HEC  98           HT4      HEC  98  -0.512   1.122   4.332
  513   1HBC  HEC  98          1HT       HEC  98   2.428   0.383   4.031
  514   2HBC  HEC  98          2HT       HEC  98   1.016  -0.482   3.379
  515   3HBC  HEC  98          3HT       HEC  98   1.456   1.118   2.734
  516   1HMD  HEC  98          1HM       HEC  98  -2.109  -2.000   3.038
  517   2HMD  HEC  98          2HM       HEC  98  -2.253  -3.748   2.730
  518   3HMD  HEC  98          3HM       HEC  98  -3.715  -2.765   2.978
  519   1HAD  HEC  98          1HA       HEC  98  -4.339  -6.046   5.556
  520   2HAD  HEC  98          2HA       HEC  98  -4.677  -5.007   4.152
  521   1HBD  HEC  98          3HB       HEC  98  -3.567  -7.091   3.519
  522   2HBD  HEC  98          4HB       HEC  98  -2.571  -5.667   3.134
  523    HHA  HEC 128           HGM      HEC 128   8.917   3.701  -0.732
  524    HHB  HEC 128           HDM      HEC 128   4.900  -0.503  -3.003
  525    HHC  HEC 128           HAM      HEC 128   0.359   2.050   0.599
  526    HHD  HEC 128           HBM      HEC 128   4.394   6.443   2.399
  527   1HMA  HEC 128          1HM       HEC 128   6.906  -0.900  -3.953
  528   2HMA  HEC 128          2HM       HEC 128   8.641  -0.557  -3.765
  529   3HMA  HEC 128          3HM       HEC 128   7.808  -1.598  -2.587
  530   1HAA  HEC 128          1HA       HEC 128  10.138   2.010  -1.053
  531   2HAA  HEC 128          2HA       HEC 128  10.182   0.463  -1.930
  532   1HBA  HEC 128          3HB       HEC 128   9.186   2.314  -3.837
  533   2HBA  HEC 128          4HB       HEC 128  10.469   3.209  -2.990
  534   1HMB  HEC 128          1HM       HEC 128   3.241  -1.647  -3.426
  535   2HMB  HEC 128          2HM       HEC 128   1.515  -1.865  -3.057
  536   3HMB  HEC 128          3HM       HEC 128   2.027  -0.603  -4.204
  537    HAB  HEC 128           HT2      HEC 128  -0.564   0.675  -0.608
  538   1HBB  HEC 128          1HT       HEC 128   0.011  -2.226  -0.690
  539   2HBB  HEC 128          2HT       HEC 128   0.371  -1.186   0.708
  540   3HBB  HEC 128          3HT       HEC 128  -1.299  -1.327   0.110
  541   1HMC  HEC 128          1HM       HEC 128  -0.839   4.880   2.618
  542   2HMC  HEC 128          2HM       HEC 128  -1.018   3.773   1.236
  543   3HMC  HEC 128          3HM       HEC 128  -0.548   3.137   2.830
  544    HAC  HEC 128           HT4      HEC 128   2.429   7.071   3.069
  545   1HBC  HEC 128          1HT       HEC 128   1.117   6.875   4.881
  546   2HBC  HEC 128          2HT       HEC 128  -0.319   7.065   3.847
  547   3HBC  HEC 128          3HT       HEC 128   0.327   5.441   4.182
  548   1HMD  HEC 128          1HM       HEC 128   7.257   7.307   3.362
  549   2HMD  HEC 128          2HM       HEC 128   7.348   8.259   1.861
  550   3HMD  HEC 128          3HM       HEC 128   5.765   7.885   2.583
  551   1HAD  HEC 128          1HA       HEC 128   9.339   6.525   2.109
  552   2HAD  HEC 128          2HA       HEC 128   9.839   5.000   1.342
  553   1HBD  HEC 128          3HB       HEC 128   9.004   6.833  -0.688
  554   2HBD  HEC 128          4HB       HEC 128  10.172   7.634   0.391
  555    HHA  HEC 158           HGM      HEC 158  -3.589  -7.554  -7.010
  556    HHB  HEC 158           HDM      HEC 158  -2.979  -5.833 -12.979
  557    HHC  HEC 158           HAM      HEC 158  -0.652  -0.275 -11.027
  558    HHD  HEC 158           HBM      HEC 158  -0.905  -2.346  -5.156
  559   1HMA  HEC 158          1HM       HEC 158  -4.739  -7.297 -12.921
  560   2HMA  HEC 158          2HM       HEC 158  -3.828  -8.758 -12.473
  561   3HMA  HEC 158          3HM       HEC 158  -5.482  -8.519 -11.863
  562   1HAA  HEC 158          1HA       HEC 158  -4.892  -8.676  -7.883
  563   2HAA  HEC 158          2HA       HEC 158  -5.948  -8.823  -9.308
  564   1HBA  HEC 158          3HB       HEC 158  -3.687  -9.928 -10.360
  565   2HBA  HEC 158          4HB       HEC 158  -3.401 -10.318  -8.648
  566   1HMB  HEC 158          1HM       HEC 158  -2.103  -5.122 -14.599
  567   2HMB  HEC 158          2HM       HEC 158  -2.519  -3.538 -15.296
  568   3HMB  HEC 158          3HM       HEC 158  -0.812  -4.000 -15.092
  569    HAB  HEC 158           HT2      HEC 158  -0.038  -0.633 -13.302
  570   1HBB  HEC 158          1HT       HEC 158  -1.760   0.656 -12.555
  571   2HBB  HEC 158          2HT       HEC 158  -1.559   0.990 -14.292
  572   3HBB  HEC 158          3HT       HEC 158  -2.908  -0.026 -13.731
  573   1HMC  HEC 158          1HM       HEC 158  -0.501   1.644  -9.742
  574   2HMC  HEC 158          2HM       HEC 158   0.488   1.896  -8.285
  575   3HMC  HEC 158          3HM       HEC 158   1.173   1.044  -9.688
  576    HAC  HEC 158           HT4      HEC 158   0.204  -0.462  -5.126
  577   1HBC  HEC 158          1HT       HEC 158  -0.443   1.872  -6.393
  578   2HBC  HEC 158          2HT       HEC 158   0.382   1.788  -4.818
  579   3HBC  HEC 158          3HT       HEC 158   1.329   2.026  -6.307
  580   1HMD  HEC 158          1HM       HEC 158  -2.397  -3.798  -2.857
  581   2HMD  HEC 158          2HM       HEC 158  -1.106  -5.023  -2.860
  582   3HMD  HEC 158          3HM       HEC 158  -0.765  -3.370  -3.423
  583   1HAD  HEC 158          1HA       HEC 158  -3.337  -6.191  -3.215
  584   2HAD  HEC 158          2HA       HEC 158  -4.342  -6.849  -4.529
  585   1HBD  HEC 158          3HB       HEC 158  -1.771  -7.861  -3.394
  586   2HBD  HEC 158          4HB       HEC 158  -3.272  -8.732  -3.795
  Start of MODEL    3
    1    H    ALA   1           HN       ALA   1   3.707  -9.547   9.908
    2    HA   ALA   1           HA       ALA   1   6.568  -9.679  10.572
    3   1HB   ALA   1          1HB       ALA   1   4.994 -10.849   8.313
    4   2HB   ALA   1          2HB       ALA   1   6.585 -10.153   7.920
    5   3HB   ALA   1          3HB       ALA   1   6.456 -11.459   9.123
    6    H    ASP   2           HN       ASP   2   7.915  -8.097   9.469
    7    HA   ASP   2           HA       ASP   2   6.787  -5.600   9.434
    8   1HB   ASP   2          2HB       ASP   2   9.280  -6.542   7.942
    9   2HB   ASP   2          3HB       ASP   2   8.919  -4.880   8.363
   10    H    VAL   3           HN       VAL   3   8.203  -7.406   6.591
   11    HA   VAL   3           HA       VAL   3   6.592  -5.816   4.791
   12    HB   VAL   3           HB       VAL   3   8.933  -6.221   4.304
   13   1HG1  VAL   3          1HG       VAL   3   9.613  -8.578   3.597
   14   2HG1  VAL   3          2HG       VAL   3   9.418  -8.293   5.342
   15   3HG1  VAL   3          3HG       VAL   3   8.145  -9.141   4.432
   16   1HG2  VAL   3          1HG       VAL   3   6.748  -6.756   2.537
   17   2HG2  VAL   3          2HG       VAL   3   8.348  -6.072   2.159
   18   3HG2  VAL   3          3HG       VAL   3   8.098  -7.833   2.103
   19    H    VAL   4           HN       VAL   4   4.954  -6.628   3.419
   20    HA   VAL   4           HA       VAL   4   4.070  -9.350   4.079
   21    HB   VAL   4           HB       VAL   4   2.358  -6.885   3.702
   22   1HG1  VAL   4          1HG       VAL   4   1.768  -9.751   3.585
   23   2HG1  VAL   4          2HG       VAL   4   0.783  -8.890   4.791
   24   3HG1  VAL   4          3HG       VAL   4   0.779  -8.355   3.094
   25   1HG2  VAL   4          1HG       VAL   4   2.146  -6.690   5.958
   26   2HG2  VAL   4          2HG       VAL   4   2.306  -8.441   6.238
   27   3HG2  VAL   4          3HG       VAL   4   3.755  -7.452   5.936
   28    H    THR   5           HN       THR   5   5.846  -8.702   1.959
   29    HA   THR   5           HA       THR   5   4.840  -8.000  -0.450
   30    HB   THR   5           HB       THR   5   6.797 -10.202   0.369
   31    HG1  THR   5           HG1      THR   5   8.222  -8.397  -0.283
   32   1HG2  THR   5          1HG       THR   5   7.661 -10.149  -1.914
   33   2HG2  THR   5          2HG       THR   5   5.924 -10.526  -2.022
   34   3HG2  THR   5          3HG       THR   5   6.501  -8.879  -2.375
   35    H    TYR   6           HN       TYR   6   3.408  -8.693  -1.938
   36    HA   TYR   6           HA       TYR   6   1.773 -10.952  -1.179
   37   1HB   TYR   6          2HB       TYR   6   1.797  -8.552  -2.985
   38   2HB   TYR   6          3HB       TYR   6   0.989  -9.939  -3.690
   39    HD1  TYR   6           HD1      TYR   6   0.767  -7.263  -1.254
   40    HD2  TYR   6           HD2      TYR   6  -0.996 -10.953  -2.509
   41    HE1  TYR   6           HE1      TYR   6  -1.342  -6.709   0.053
   42    HE2  TYR   6           HE2      TYR   6  -3.099 -10.386  -1.199
   43    HH   TYR   6           HH       TYR   6  -4.201  -8.733  -0.197
   44    H    GLU   7           HN       GLU   7   0.923 -12.073  -3.502
   45    HA   GLU   7           HA       GLU   7   3.245 -12.781  -5.043
   46   1HB   GLU   7          2HB       GLU   7   1.970 -14.583  -3.039
   47   2HB   GLU   7          3HB       GLU   7   2.261 -15.309  -4.608
   48   1HG   GLU   7          2HG       GLU   7   4.550 -13.696  -3.640
   49   2HG   GLU   7          3HG       GLU   7   4.151 -15.025  -2.570
   50    H    ASN   8           HN       ASN   8   1.031 -11.237  -5.800
   51    HA   ASN   8           HA       ASN   8  -1.108 -12.649  -6.775
   52   1HB   ASN   8          2HB       ASN   8  -1.319 -10.663  -8.394
   53   2HB   ASN   8          3HB       ASN   8  -1.212 -10.230  -6.698
   54   1HD2  ASN   8          1HD       ASN   8  -0.289  -8.289  -6.812
   55   2HD2  ASN   8          2HD       ASN   8   1.277  -7.945  -7.468
   56    H    LYS   9           HN       LYS   9  -1.495 -12.490  -9.432
   57    HA   LYS   9           HA       LYS   9   0.728 -14.022 -10.550
   58   1HB   LYS   9          2HB       LYS   9  -2.231 -13.908 -11.105
   59   2HB   LYS   9          3HB       LYS   9  -1.124 -14.534 -12.311
   60   1HG   LYS   9          2HG       LYS   9  -0.219 -16.158 -10.623
   61   2HG   LYS   9          3HG       LYS   9  -1.349 -15.542  -9.435
   62   1HD   LYS   9          2HD       LYS   9  -3.241 -16.409 -10.588
   63   2HD   LYS   9          3HD       LYS   9  -2.377 -16.545 -12.106
   64   1HE   LYS   9          2HE       LYS   9  -0.847 -18.217 -10.580
   65   2HE   LYS   9          3HE       LYS   9  -2.377 -18.398  -9.747
   66   1HZ   LYS   9          1HZ       LYS   9  -2.696 -19.885 -11.366
   67   2HZ   LYS   9          2HZ       LYS   9  -3.171 -18.594 -12.246
   68   3HZ   LYS   9          3HZ       LYS   9  -1.659 -19.188 -12.417
   69    H    LYS  10           HN       LYS  10   0.060 -10.886 -10.243
   70    HA   LYS  10           HA       LYS  10   1.090 -10.310 -12.913
   71   1HB   LYS  10          2HB       LYS  10  -1.322  -9.950 -13.061
   72   2HB   LYS  10          3HB       LYS  10  -1.287  -8.913 -11.648
   73   1HG   LYS  10          2HG       LYS  10  -1.030  -7.211 -13.151
   74   2HG   LYS  10          3HG       LYS  10   0.649  -7.711 -13.197
   75   1HD   LYS  10          2HD       LYS  10  -1.140  -9.287 -14.980
   76   2HD   LYS  10          3HD       LYS  10  -1.024  -7.590 -15.401
   77   1HE   LYS  10          2HE       LYS  10   1.553  -9.005 -14.763
   78   2HE   LYS  10          3HE       LYS  10   0.766  -9.437 -16.269
   79   1HZ   LYS  10          1HZ       LYS  10   2.337  -7.526 -16.354
   80   2HZ   LYS  10          2HZ       LYS  10   0.860  -7.228 -16.985
   81   3HZ   LYS  10          3HZ       LYS  10   1.249  -6.647 -15.509
   82    H    GLY  11           HN       GLY  11   3.099 -10.306 -11.584
   83   1HA   GLY  11          1HA       GLY  11   4.743  -9.197 -10.530
   84   2HA   GLY  11          2HA       GLY  11   3.916  -7.715 -10.963
   85    H    ASN  12           HN       ASN  12   4.658  -9.983  -8.412
   86    HA   ASN  12           HA       ASN  12   2.636  -9.243  -6.640
   87   1HB   ASN  12          2HB       ASN  12   4.279 -10.187  -4.894
   88   2HB   ASN  12          3HB       ASN  12   3.863 -11.280  -6.199
   89   1HD2  ASN  12          1HD       ASN  12   6.323 -10.033  -4.413
   90   2HD2  ASN  12          2HD       ASN  12   7.676 -10.314  -5.457
   91    H    VAL  13           HN       VAL  13   2.688  -7.660  -4.910
   92    HA   VAL  13           HA       VAL  13   4.608  -5.524  -5.360
   93    HB   VAL  13           HB       VAL  13   3.114  -4.172  -4.086
   94   1HG1  VAL  13          1HG       VAL  13   0.927  -5.519  -5.440
   95   2HG1  VAL  13          2HG       VAL  13   1.711  -3.966  -5.812
   96   3HG1  VAL  13          3HG       VAL  13   2.387  -5.481  -6.457
   97   1HG2  VAL  13          1HG       VAL  13   1.650  -4.889  -2.530
   98   2HG2  VAL  13          2HG       VAL  13   1.055  -6.216  -3.557
   99   3HG2  VAL  13          3HG       VAL  13   2.553  -6.419  -2.619
  100    H    THR  14           HN       THR  14   5.772  -4.536  -3.540
  101    HA   THR  14           HA       THR  14   6.479  -6.586  -1.557
  102    HB   THR  14           HB       THR  14   7.950  -4.184  -2.751
  103    HG1  THR  14           HG1      THR  14   7.728  -6.328  -3.880
  104   1HG2  THR  14          1HG       THR  14   8.517  -5.888  -0.327
  105   2HG2  THR  14          2HG       THR  14   9.874  -5.552  -1.429
  106   3HG2  THR  14          3HG       THR  14   9.000  -4.207  -0.658
  107    H    PHE  15           HN       PHE  15   4.374  -6.010  -0.467
  108    HA   PHE  15           HA       PHE  15   3.724  -3.607   0.554
  109   1HB   PHE  15          2HB       PHE  15   3.334  -6.452   1.097
  110   2HB   PHE  15          3HB       PHE  15   3.493  -5.626   2.635
  111    HD1  PHE  15           HD1      PHE  15   1.643  -5.373  -0.595
  112    HD2  PHE  15           HD2      PHE  15   1.624  -4.642   3.586
  113    HE1  PHE  15           HE1      PHE  15  -0.758  -4.654  -0.732
  114    HE2  PHE  15           HE2      PHE  15  -0.778  -3.923   3.448
  115    HZ   PHE  15           HZ       PHE  15  -1.939  -3.938   1.291
  116    H    ASP  16           HN       ASP  16   3.903  -2.792   2.883
  117    HA   ASP  16           HA       ASP  16   6.378  -3.526   4.145
  118   1HB   ASP  16          2HB       ASP  16   5.765  -0.651   3.312
  119   2HB   ASP  16          3HB       ASP  16   7.132  -1.148   4.289
  120    H    HIS  17           HN       HIS  17   5.760  -3.766   6.297
  121    HA   HIS  17           HA       HIS  17   3.532  -2.112   7.217
  122   1HB   HIS  17          2HB       HIS  17   3.690  -4.789   7.245
  123   2HB   HIS  17          3HB       HIS  17   4.488  -4.472   8.773
  124    HD1  HIS  17           HD1      HIS  17   2.955  -4.317  10.737
  125    HD2  HIS  17           HD2      HIS  17   1.016  -3.343   7.147
  126    HE1  HIS  17           HE1      HIS  17   0.509  -3.907  11.334
  127    H    LYS  18           HN       LYS  18   6.754  -3.447   8.212
  128    HA   LYS  18           HA       LYS  18   6.870  -1.474  10.335
  129   1HB   LYS  18          2HB       LYS  18   7.601  -4.023  10.368
  130   2HB   LYS  18          3HB       LYS  18   9.096  -3.383   9.716
  131   1HG   LYS  18          2HG       LYS  18   8.839  -1.599  11.690
  132   2HG   LYS  18          3HG       LYS  18   7.806  -2.828  12.394
  133   1HD   LYS  18          2HD       LYS  18   9.855  -4.442  11.761
  134   2HD   LYS  18          3HD       LYS  18  10.765  -2.945  11.803
  135   1HE   LYS  18          2HE       LYS  18  10.799  -2.995  14.070
  136   2HE   LYS  18          3HE       LYS  18   9.047  -2.985  14.122
  137   1HZ   LYS  18          1HZ       LYS  18   9.027  -5.331  13.959
  138   2HZ   LYS  18          2HZ       LYS  18  10.633  -5.416  13.675
  139   3HZ   LYS  18          3HZ       LYS  18  10.086  -4.947  15.141
  140    H    ALA  19           HN       ALA  19   8.235  -2.205   7.121
  141    HA   ALA  19           HA       ALA  19  10.332  -0.334   7.251
  142   1HB   ALA  19          1HB       ALA  19   9.123  -0.864   4.605
  143   2HB   ALA  19          2HB       ALA  19  10.785  -1.139   5.180
  144   3HB   ALA  19          3HB       ALA  19   9.512  -2.330   5.537
  145    H    HIS  20           HN       HIS  20   6.862  -0.156   6.373
  146    HA   HIS  20           HA       HIS  20   7.127   2.524   5.410
  147   1HB   HIS  20          2HB       HIS  20   4.986   0.487   5.646
  148   2HB   HIS  20          3HB       HIS  20   4.453   2.153   5.748
  149    HD1  HIS  20           HD1      HIS  20   7.402   1.362   3.553
  150    HD2  HIS  20           HD2      HIS  20   3.266   1.955   3.175
  151    HE1  HIS  20           HE1      HIS  20   6.942   1.624   1.057
  152    H    ALA  21           HN       ALA  21   5.409   0.979   8.223
  153    HA   ALA  21           HA       ALA  21   4.550   3.142   9.538
  154   1HB   ALA  21          1HB       ALA  21   5.999   0.785  10.809
  155   2HB   ALA  21          2HB       ALA  21   4.777   1.825  11.581
  156   3HB   ALA  21          3HB       ALA  21   4.314   0.757  10.235
  157    H    GLU  22           HN       GLU  22   7.926   2.148   9.059
  158    HA   GLU  22           HA       GLU  22   9.182   3.460  11.042
  159   1HB   GLU  22          2HB       GLU  22   9.928   3.080   8.122
  160   2HB   GLU  22          3HB       GLU  22  11.031   3.849   9.247
  161   1HG   GLU  22          2HG       GLU  22   9.977   1.433  10.468
  162   2HG   GLU  22          3HG       GLU  22  10.578   1.043   8.869
  163    H    LYS  23           HN       LYS  23   8.169   4.861   7.846
  164    HA   LYS  23           HA       LYS  23   8.815   7.508   8.850
  165   1HB   LYS  23          2HB       LYS  23   8.309   6.282   6.176
  166   2HB   LYS  23          3HB       LYS  23   7.899   7.973   6.375
  167   1HG   LYS  23          2HG       LYS  23  10.570   7.053   7.429
  168   2HG   LYS  23          3HG       LYS  23  10.383   7.179   5.691
  169   1HD   LYS  23          2HD       LYS  23   9.616   9.452   7.572
  170   2HD   LYS  23          3HD       LYS  23  11.236   9.285   6.927
  171   1HE   LYS  23          2HE       LYS  23  10.615  10.123   4.903
  172   2HE   LYS  23          3HE       LYS  23   9.256   9.022   4.785
  173   1HZ   LYS  23          1HZ       LYS  23   9.332  11.712   5.812
  174   2HZ   LYS  23          2HZ       LYS  23   8.146  10.940   5.000
  175   3HZ   LYS  23          3HZ       LYS  23   8.344  10.678   6.599
  176    H    LEU  24           HN       LEU  24   6.013   5.489   7.841
  177    HA   LEU  24           HA       LEU  24   4.145   7.598   8.205
  178   1HB   LEU  24          2HB       LEU  24   3.811   4.604   7.979
  179   2HB   LEU  24          3HB       LEU  24   2.487   5.751   8.018
  180    HG   LEU  24           HG       LEU  24   3.624   6.839   5.961
  181   1HD1  LEU  24          1HD       LEU  24   5.747   5.831   5.916
  182   2HD1  LEU  24          2HD       LEU  24   5.072   4.194   6.103
  183   3HD1  LEU  24          3HD       LEU  24   4.847   5.081   4.576
  184   1HD2  LEU  24          1HD       LEU  24   1.707   5.977   5.212
  185   2HD2  LEU  24          2HD       LEU  24   2.690   4.607   4.641
  186   3HD2  LEU  24          3HD       LEU  24   1.865   4.515   6.215
  187    H    GLY  25           HN       GLY  25   3.179   4.695   9.831
  188   1HA   GLY  25          1HA       GLY  25   3.915   4.511  12.281
  189   2HA   GLY  25          2HA       GLY  25   3.287   6.143  12.395
  190    H    CYS  26           HN       CYS  26   2.006   3.419  10.392
  191    HA   CYS  26           HA       CYS  26   0.114   2.302  10.463
  192   1HB   CYS  26          2HB       CYS  26  -0.827   3.210  13.112
  193   2HB   CYS  26          3HB       CYS  26  -0.764   1.601  12.420
  194    H    ASP  27           HN       ASP  27  -0.360   5.391  12.344
  195    HA   ASP  27           HA       ASP  27  -2.879   5.865  11.279
  196   1HB   ASP  27          2HB       ASP  27  -0.802   7.764  12.464
  197   2HB   ASP  27          3HB       ASP  27  -2.451   8.241  12.108
  198    H    ALA  28           HN       ALA  28  -1.916   5.265   8.939
  199    HA   ALA  28           HA       ALA  28  -1.456   7.810   7.595
  200   1HB   ALA  28          1HB       ALA  28   0.237   5.344   7.045
  201   2HB   ALA  28          2HB       ALA  28   0.428   6.972   6.351
  202   3HB   ALA  28          3HB       ALA  28   0.770   6.694   8.076
  203    H    CYS  29           HN       CYS  29  -2.018   4.240   7.349
  204    HA   CYS  29           HA       CYS  29  -3.760   4.842   5.069
  205   1HB   CYS  29          2HB       CYS  29  -3.255   2.129   4.956
  206   2HB   CYS  29          3HB       CYS  29  -2.557   3.373   3.938
  207    H    HIS  30           HN       HIS  30  -3.586   4.072   8.360
  208    HA   HIS  30           HA       HIS  30  -6.137   2.635   8.226
  209   1HB   HIS  30          2HB       HIS  30  -4.022   2.520  10.395
  210   2HB   HIS  30          3HB       HIS  30  -5.556   1.673  10.416
  211    HD1  HIS  30           HD1      HIS  30  -5.859   0.042   8.099
  212    HD2  HIS  30           HD2      HIS  30  -1.998   0.959   9.457
  213    HE1  HIS  30           HE1      HIS  30  -4.311  -1.718   7.093
  214    H    GLU  31           HN       GLU  31  -6.883   2.971  10.940
  215    HA   GLU  31           HA       GLU  31  -6.607   5.499  11.927
  216   1HB   GLU  31          2HB       GLU  31  -8.197   5.554   9.574
  217   2HB   GLU  31          3HB       GLU  31  -9.328   5.711  10.902
  218   1HG   GLU  31          2HG       GLU  31  -7.331   7.417  11.739
  219   2HG   GLU  31          3HG       GLU  31  -7.191   7.589  10.001
  220    H    GLY  32           HN       GLY  32  -7.064   5.074  14.040
  221   1HA   GLY  32          1HA       GLY  32  -8.291   4.471  15.849
  222   2HA   GLY  32          2HA       GLY  32  -9.607   3.981  14.801
  223    H    THR  33           HN       THR  33  -8.604   2.010  13.182
  224    HA   THR  33           HA       THR  33  -7.150   0.118  14.843
  225    HB   THR  33           HB       THR  33  -9.968  -0.423  13.767
  226    HG1  THR  33           HG1      THR  33 -10.223   0.770  15.661
  227   1HG2  THR  33          1HG       THR  33  -9.785  -2.572  14.670
  228   2HG2  THR  33          2HG       THR  33  -8.089  -2.332  14.190
  229   3HG2  THR  33          3HG       THR  33  -8.581  -2.067  15.879
  230    HA   PRO  34           HA       PRO  34  -5.710  -0.315  10.728
  231   1HB   PRO  34          2HB       PRO  34  -3.244  -1.297  11.377
  232   2HB   PRO  34          3HB       PRO  34  -3.586   0.415  11.232
  233   1HG   PRO  34          2HG       PRO  34  -3.204  -1.200  13.679
  234   2HG   PRO  34          3HG       PRO  34  -3.121   0.540  13.489
  235   1HD   PRO  34          2HD       PRO  34  -5.283  -0.960  14.628
  236   2HD   PRO  34          3HD       PRO  34  -5.248   0.767  14.331
  237    H    ALA  35           HN       ALA  35  -7.639  -2.015  11.408
  238    HA   ALA  35           HA       ALA  35  -6.727  -4.657  11.687
  239   1HB   ALA  35          1HB       ALA  35  -9.313  -4.191  10.310
  240   2HB   ALA  35          2HB       ALA  35  -8.952  -5.119  11.785
  241   3HB   ALA  35          3HB       ALA  35  -9.126  -3.350  11.867
  242    H    LYS  36           HN       LYS  36  -7.837  -6.227   9.747
  243    HA   LYS  36           HA       LYS  36  -5.984  -5.849   7.613
  244   1HB   LYS  36          2HB       LYS  36  -6.732  -7.996   6.853
  245   2HB   LYS  36          3HB       LYS  36  -6.548  -8.060   8.595
  246   1HG   LYS  36          2HG       LYS  36  -8.685  -8.810   8.718
  247   2HG   LYS  36          3HG       LYS  36  -9.213  -7.213   8.230
  248   1HD   LYS  36          2HD       LYS  36  -8.332  -8.630   5.866
  249   2HD   LYS  36          3HD       LYS  36  -9.416  -9.678   6.759
  250   1HE   LYS  36          2HE       LYS  36 -10.635  -7.115   6.860
  251   2HE   LYS  36          3HE       LYS  36 -10.035  -7.264   5.219
  252   1HZ   LYS  36          1HZ       LYS  36 -12.246  -8.191   5.508
  253   2HZ   LYS  36          2HZ       LYS  36 -11.187  -9.334   5.016
  254   3HZ   LYS  36          3HZ       LYS  36 -11.677  -9.291   6.572
  255    H    ILE  37           HN       ILE  37  -6.283  -4.556   5.887
  256    HA   ILE  37           HA       ILE  37  -8.915  -3.531   5.361
  257    HB   ILE  37           HB       ILE  37  -6.242  -3.065   4.035
  258   1HG1  ILE  37          2HG       ILE  37  -7.786  -1.473   6.102
  259   2HG1  ILE  37          3HG       ILE  37  -6.267  -2.313   6.345
  260   1HG2  ILE  37          1HG       ILE  37  -7.743  -2.495   2.363
  261   2HG2  ILE  37          2HG       ILE  37  -8.977  -1.929   3.514
  262   3HG2  ILE  37          3HG       ILE  37  -7.516  -0.954   3.224
  263   1HD1  ILE  37          1HD       ILE  37  -5.393  -0.231   5.897
  264   2HD1  ILE  37          2HD       ILE  37  -5.564  -0.775   4.211
  265   3HD1  ILE  37          3HD       ILE  37  -6.806   0.270   4.940
  266    H    ALA  38           HN       ALA  38  -9.898  -3.606   3.163
  267    HA   ALA  38           HA       ALA  38  -9.790  -6.319   2.198
  268   1HB   ALA  38          1HB       ALA  38 -11.948  -5.873   1.766
  269   2HB   ALA  38          2HB       ALA  38 -11.705  -4.215   2.369
  270   3HB   ALA  38          3HB       ALA  38 -11.478  -4.576   0.641
  271    H    ILE  39           HN       ILE  39  -7.721  -6.523   1.224
  272    HA   ILE  39           HA       ILE  39  -7.345  -4.796  -1.122
  273    HB   ILE  39           HB       ILE  39  -5.351  -6.169   0.675
  274   1HG1  ILE  39          2HG       ILE  39  -6.361  -3.988   1.415
  275   2HG1  ILE  39          3HG       ILE  39  -4.615  -3.995   1.262
  276   1HG2  ILE  39          1HG       ILE  39  -5.081  -5.900  -2.067
  277   2HG2  ILE  39          2HG       ILE  39  -4.242  -4.467  -1.422
  278   3HG2  ILE  39          3HG       ILE  39  -3.762  -6.095  -0.887
  279   1HD1  ILE  39          1HD       ILE  39  -6.173  -2.059   0.177
  280   2HD1  ILE  39          2HD       ILE  39  -4.620  -2.551  -0.540
  281   3HD1  ILE  39          3HD       ILE  39  -6.144  -3.201  -1.189
  282    H    ASP  40           HN       ASP  40  -7.090  -5.738  -3.136
  283    HA   ASP  40           HA       ASP  40  -6.368  -8.357  -3.532
  284   1HB   ASP  40          2HB       ASP  40  -8.999  -8.221  -2.580
  285   2HB   ASP  40          3HB       ASP  40  -9.222  -8.295  -4.316
  286    H    LYS  41           HN       LYS  41  -8.780  -5.849  -4.605
  287    HA   LYS  41           HA       LYS  41  -7.358  -5.012  -6.807
  288   1HB   LYS  41          2HB       LYS  41  -7.544  -7.116  -7.867
  289   2HB   LYS  41          3HB       LYS  41  -9.222  -7.309  -7.405
  290   1HG   LYS  41          2HG       LYS  41  -9.963  -6.134  -9.211
  291   2HG   LYS  41          3HG       LYS  41  -8.827  -4.830  -8.931
  292   1HD   LYS  41          2HD       LYS  41  -7.044  -6.598  -9.852
  293   2HD   LYS  41          3HD       LYS  41  -8.459  -7.347 -10.567
  294   1HE   LYS  41          2HE       LYS  41  -8.664  -4.518 -11.057
  295   2HE   LYS  41          3HE       LYS  41  -7.023  -4.991 -11.454
  296   1HZ   LYS  41          1HZ       LYS  41  -9.473  -6.246 -12.483
  297   2HZ   LYS  41          2HZ       LYS  41  -8.438  -5.304 -13.325
  298   3HZ   LYS  41          3HZ       LYS  41  -7.961  -6.776 -12.804
  299    H    LYS  42           HN       LYS  42  -8.472  -3.499  -5.012
  300    HA   LYS  42           HA       LYS  42 -10.508  -2.132  -6.438
  301   1HB   LYS  42          2HB       LYS  42 -11.932  -3.864  -5.489
  302   2HB   LYS  42          3HB       LYS  42 -11.309  -3.552  -3.882
  303   1HG   LYS  42          2HG       LYS  42 -12.115  -1.096  -4.238
  304   2HG   LYS  42          3HG       LYS  42 -13.013  -1.716  -5.608
  305   1HD   LYS  42          2HD       LYS  42 -13.460  -3.454  -3.322
  306   2HD   LYS  42          3HD       LYS  42 -13.756  -1.795  -2.843
  307   1HE   LYS  42          2HE       LYS  42 -15.347  -1.480  -4.691
  308   2HE   LYS  42          3HE       LYS  42 -14.958  -3.056  -5.352
  309   1HZ   LYS  42          1HZ       LYS  42 -16.100  -4.096  -3.717
  310   2HZ   LYS  42          2HZ       LYS  42 -15.864  -2.929  -2.601
  311   3HZ   LYS  42          3HZ       LYS  42 -16.975  -2.719  -3.780
  312    H    SER  43           HN       SER  43  -9.813  -2.457  -2.895
  313    HA   SER  43           HA       SER  43  -9.600   0.273  -2.555
  314   1HB   SER  43          2HB       SER  43  -9.474  -2.073  -0.943
  315   2HB   SER  43          3HB       SER  43  -8.005  -1.182  -0.600
  316    HG   SER  43           HG       SER  43  -9.140   0.269   0.485
  317    H    ALA  44           HN       ALA  44  -7.065  -2.296  -2.927
  318    HA   ALA  44           HA       ALA  44  -4.877  -0.571  -2.678
  319   1HB   ALA  44          1HB       ALA  44  -3.807  -2.546  -2.774
  320   2HB   ALA  44          2HB       ALA  44  -5.382  -3.325  -3.057
  321   3HB   ALA  44          3HB       ALA  44  -4.375  -2.826  -4.438
  322    H    HIS  45           HN       HIS  45  -7.297  -0.832  -5.105
  323    HA   HIS  45           HA       HIS  45  -5.501   0.470  -7.020
  324   1HB   HIS  45          2HB       HIS  45  -7.689  -1.531  -7.347
  325   2HB   HIS  45          3HB       HIS  45  -7.535  -0.301  -8.586
  326    HD1  HIS  45           HD1      HIS  45  -6.831  -2.256 -10.248
  327    HD2  HIS  45           HD2      HIS  45  -4.158  -1.527  -7.098
  328    HE1  HIS  45           HE1      HIS  45  -4.657  -3.440 -10.866
  329    H    LYS  46           HN       LYS  46  -7.630   1.174  -4.647
  330    HA   LYS  46           HA       LYS  46  -8.995   3.242  -6.220
  331   1HB   LYS  46          2HB       LYS  46 -10.502   1.683  -5.093
  332   2HB   LYS  46          3HB       LYS  46  -9.728   1.998  -3.553
  333   1HG   LYS  46          2HG       LYS  46 -10.303   4.541  -4.116
  334   2HG   LYS  46          3HG       LYS  46 -11.483   3.833  -5.201
  335   1HD   LYS  46          2HD       LYS  46 -11.915   2.342  -2.913
  336   2HD   LYS  46          3HD       LYS  46 -11.438   3.880  -2.222
  337   1HE   LYS  46          2HE       LYS  46 -13.197   5.061  -3.438
  338   2HE   LYS  46          3HE       LYS  46 -13.575   3.638  -4.388
  339   1HZ   LYS  46          1HZ       LYS  46 -14.343   2.548  -2.443
  340   2HZ   LYS  46          2HZ       LYS  46 -13.835   3.754  -1.464
  341   3HZ   LYS  46          3HZ       LYS  46 -15.070   4.009  -2.502
  342    H    ASP  47           HN       ASP  47  -8.904   3.568  -2.759
  343    HA   ASP  47           HA       ASP  47  -6.981   5.719  -3.130
  344   1HB   ASP  47          2HB       ASP  47  -9.446   5.358  -1.493
  345   2HB   ASP  47          3HB       ASP  47  -8.126   6.138  -0.645
  346    H    ALA  48           HN       ALA  48  -7.605   2.612  -1.703
  347    HA   ALA  48           HA       ALA  48  -6.334   2.633   0.699
  348   1HB   ALA  48          1HB       ALA  48  -5.859   0.399  -1.273
  349   2HB   ALA  48          2HB       ALA  48  -6.238   0.311   0.464
  350   3HB   ALA  48          3HB       ALA  48  -7.509   0.747  -0.704
  351    H    CYS  49           HN       CYS  49  -4.792   2.046  -2.543
  352    HA   CYS  49           HA       CYS  49  -2.215   2.508  -1.274
  353   1HB   CYS  49          2HB       CYS  49  -3.168   0.963  -3.566
  354   2HB   CYS  49          3HB       CYS  49  -1.752   1.925  -3.943
  355    H    LYS  50           HN       LYS  50  -3.806   3.357  -4.445
  356    HA   LYS  50           HA       LYS  50  -2.226   5.561  -4.958
  357   1HB   LYS  50          2HB       LYS  50  -4.993   4.751  -5.857
  358   2HB   LYS  50          3HB       LYS  50  -4.244   6.230  -6.421
  359   1HG   LYS  50          2HG       LYS  50  -2.171   4.472  -6.808
  360   2HG   LYS  50          3HG       LYS  50  -3.531   3.390  -7.028
  361   1HD   LYS  50          2HD       LYS  50  -3.299   6.072  -8.465
  362   2HD   LYS  50          3HD       LYS  50  -2.697   4.574  -9.146
  363   1HE   LYS  50          2HE       LYS  50  -5.441   4.229  -8.179
  364   2HE   LYS  50          3HE       LYS  50  -5.350   5.575  -9.297
  365   1HZ   LYS  50          1HZ       LYS  50  -5.176   4.135 -10.930
  366   2HZ   LYS  50          2HZ       LYS  50  -3.816   3.485 -10.300
  367   3HZ   LYS  50          3HZ       LYS  50  -5.277   2.881  -9.890
  368    H    THR  51           HN       THR  51  -1.876   6.857  -3.124
  369    HA   THR  51           HA       THR  51  -3.682   8.950  -2.747
  370    HB   THR  51           HB       THR  51  -3.972   6.555  -0.938
  371    HG1  THR  51           HG1      THR  51  -5.680   7.158  -2.367
  372   1HG2  THR  51          1HG       THR  51  -3.132   8.581   0.485
  373   2HG2  THR  51          2HG       THR  51  -4.646   9.379  -0.004
  374   3HG2  THR  51          3HG       THR  51  -4.700   7.870   0.937
  375    H    CYS  52           HN       CYS  52  -1.272   6.908  -0.972
  376    HA   CYS  52           HA       CYS  52  -0.083   9.263   0.130
  377   1HB   CYS  52          2HB       CYS  52  -0.227   6.714   0.983
  378   2HB   CYS  52          3HB       CYS  52   1.347   6.662   0.216
  379    H    HIS  53           HN       HIS  53   0.950   6.598  -2.134
  380    HA   HIS  53           HA       HIS  53   3.356   7.614  -2.874
  381   1HB   HIS  53          2HB       HIS  53   1.324   6.085  -4.519
  382   2HB   HIS  53          3HB       HIS  53   2.973   6.374  -5.034
  383    HD1  HIS  53           HD1      HIS  53   3.327   3.744  -5.013
  384    HD2  HIS  53           HD2      HIS  53   2.562   5.473  -1.269
  385    HE1  HIS  53           HE1      HIS  53   3.958   1.989  -3.272
  386    H    LYS  54           HN       LYS  54   0.237   8.119  -4.685
  387    HA   LYS  54           HA       LYS  54   1.405  10.192  -6.245
  388   1HB   LYS  54          2HB       LYS  54  -0.930  10.457  -7.090
  389   2HB   LYS  54          3HB       LYS  54  -0.283   8.836  -7.244
  390   1HG   LYS  54          2HG       LYS  54  -1.588   8.004  -5.424
  391   2HG   LYS  54          3HG       LYS  54  -1.901   9.608  -4.793
  392   1HD   LYS  54          2HD       LYS  54  -2.959   9.778  -7.365
  393   2HD   LYS  54          3HD       LYS  54  -3.313   8.117  -6.932
  394   1HE   LYS  54          2HE       LYS  54  -4.196   9.103  -4.669
  395   2HE   LYS  54          3HE       LYS  54  -4.178  10.651  -5.491
  396   1HZ   LYS  54          1HZ       LYS  54  -5.666   8.258  -6.314
  397   2HZ   LYS  54          2HZ       LYS  54  -6.290   9.666  -5.770
  398   3HZ   LYS  54          3HZ       LYS  54  -5.553   9.608  -7.226
  399    H    SER  55           HN       SER  55   2.186  11.129  -3.966
  400    HA   SER  55           HA       SER  55   0.439  13.373  -3.554
  401   1HB   SER  55          2HB       SER  55  -0.044  11.436  -1.828
  402   2HB   SER  55          3HB       SER  55   1.463  11.941  -1.088
  403    HG   SER  55           HG       SER  55   0.612  13.998  -0.676
  404    H    ASN  56           HN       ASN  56   3.462  11.612  -2.608
  405    HA   ASN  56           HA       ASN  56   4.769  14.217  -2.539
  406   1HB   ASN  56          2HB       ASN  56   4.739  12.178  -0.597
  407   2HB   ASN  56          3HB       ASN  56   6.277  11.932  -1.399
  408   1HD2  ASN  56          1HD       ASN  56   5.828  12.801   1.281
  409   2HD2  ASN  56          2HD       ASN  56   6.526  14.375   1.476
  410    H    ASN  57           HN       ASN  57   5.689  10.703  -2.926
  411    HA   ASN  57           HA       ASN  57   6.380  10.946  -5.597
  412   1HB   ASN  57          2HB       ASN  57   8.888  10.769  -5.379
  413   2HB   ASN  57          3HB       ASN  57   8.278  12.317  -4.833
  414   1HD2  ASN  57          1HD       ASN  57  10.336   9.880  -4.139
  415   2HD2  ASN  57          2HD       ASN  57  10.498  10.039  -2.422
  416    H    GLY  58           HN       GLY  58   6.443   8.799  -6.357
  417   1HA   GLY  58          1HA       GLY  58   7.726   6.641  -5.333
  418   2HA   GLY  58          2HA       GLY  58   6.227   6.672  -4.425
  419    HA   PRO  59           HA       PRO  59   5.367   4.557  -8.358
  420   1HB   PRO  59          2HB       PRO  59   4.443   2.200  -7.329
  421   2HB   PRO  59          3HB       PRO  59   6.105   2.439  -7.834
  422   1HG   PRO  59          2HG       PRO  59   4.999   2.323  -5.095
  423   2HG   PRO  59          3HG       PRO  59   6.661   2.135  -5.616
  424   1HD   PRO  59          2HD       PRO  59   5.501   4.451  -4.386
  425   2HD   PRO  59          3HD       PRO  59   7.130   4.303  -5.012
  426    H    THR  60           HN       THR  60   3.603   5.137  -9.446
  427    HA   THR  60           HA       THR  60   1.052   4.490  -8.483
  428    HB   THR  60           HB       THR  60   1.543   6.248  -6.789
  429    HG1  THR  60           HG1      THR  60  -0.143   7.151  -9.017
  430   1HG2  THR  60          1HG       THR  60   2.714   8.117  -7.385
  431   2HG2  THR  60          2HG       THR  60   2.689   7.617  -9.093
  432   3HG2  THR  60          3HG       THR  60   1.353   8.588  -8.431
  433    H    LYS  61           HN       LYS  61   2.353   3.993 -10.854
  434    HA   LYS  61           HA       LYS  61   0.568   5.336 -12.659
  435   1HB   LYS  61          2HB       LYS  61   2.295   6.179 -14.160
  436   2HB   LYS  61          3HB       LYS  61   2.391   6.955 -12.592
  437   1HG   LYS  61          2HG       LYS  61   4.158   5.146 -11.985
  438   2HG   LYS  61          3HG       LYS  61   4.194   4.762 -13.694
  439   1HD   LYS  61          2HD       LYS  61   4.431   7.670 -13.033
  440   2HD   LYS  61          3HD       LYS  61   5.777   6.674 -12.518
  441   1HE   LYS  61          2HE       LYS  61   5.996   5.768 -14.845
  442   2HE   LYS  61          3HE       LYS  61   4.653   6.769 -15.360
  443   1HZ   LYS  61          1HZ       LYS  61   7.292   7.493 -15.193
  444   2HZ   LYS  61          2HZ       LYS  61   6.028   8.458 -15.562
  445   3HZ   LYS  61          3HZ       LYS  61   6.539   8.339 -14.017
  446    H    CYS  62           HN       CYS  62   0.963   2.644 -11.538
  447    HA   CYS  62           HA       CYS  62   0.651   0.619 -12.392
  448   1HB   CYS  62          2HB       CYS  62   0.060   1.900 -14.579
  449   2HB   CYS  62          3HB       CYS  62   1.655   1.408 -15.111
  450    H    GLY  63           HN       GLY  63   3.418   1.967 -14.344
  451   1HA   GLY  63          1HA       GLY  63   5.117  -0.232 -13.769
  452   2HA   GLY  63          2HA       GLY  63   5.558   1.285 -14.528
  453    H    GLY  64           HN       GLY  64   4.382   0.234 -11.243
  454   1HA   GLY  64          1HA       GLY  64   6.754   1.530 -10.076
  455   2HA   GLY  64          2HA       GLY  64   5.155   1.997  -9.528
  456    H    CYS  65           HN       CYS  65   3.762   0.394  -8.468
  457    HA   CYS  65           HA       CYS  65   5.176  -1.213  -6.694
  458   1HB   CYS  65          2HB       CYS  65   2.260  -1.563  -7.375
  459   2HB   CYS  65          3HB       CYS  65   3.071  -1.918  -5.863
  460    H    HIS  66           HN       HIS  66   3.154  -1.990  -9.615
  461    HA   HIS  66           HA       HIS  66   3.647  -4.747  -9.484
  462   1HB   HIS  66          2HB       HIS  66   2.487  -2.838 -11.461
  463   2HB   HIS  66          3HB       HIS  66   2.993  -4.405 -12.061
  464    HD1  HIS  66           HD1      HIS  66   1.114  -6.034 -12.095
  465    HD2  HIS  66           HD2      HIS  66   0.785  -3.336  -8.900
  466    HE1  HIS  66           HE1      HIS  66  -1.025  -6.656 -10.851
  467    H    ILE  67           HN       ILE  67   5.157  -6.070 -10.556
  468    HA   ILE  67           HA       ILE  67   7.291  -4.621 -11.952
  469    HB   ILE  67           HB       ILE  67   7.655  -6.818  -9.912
  470   1HG1  ILE  67          2HG       ILE  67   7.022  -4.380  -9.180
  471   2HG1  ILE  67          3HG       ILE  67   8.288  -5.263  -8.352
  472   1HG2  ILE  67          1HG       ILE  67   9.663  -5.272 -11.571
  473   2HG2  ILE  67          2HG       ILE  67  10.071  -6.335 -10.205
  474   3HG2  ILE  67          3HG       ILE  67   9.303  -7.012 -11.660
  475   1HD1  ILE  67          1HD       ILE  67   9.022  -2.959  -8.879
  476   2HD1  ILE  67          2HD       ILE  67  10.011  -4.147  -9.761
  477   3HD1  ILE  67          3HD       ILE  67   8.726  -3.254 -10.609
  478    H    LYS  68           HN       LYS  68   7.182  -5.251 -14.039
  479    HA   LYS  68           HA       LYS  68   6.031  -7.795 -14.696
  480   1HB   LYS  68          2HB       LYS  68   6.214  -7.060 -16.976
  481   2HB   LYS  68          3HB       LYS  68   5.599  -5.736 -16.006
  482   1HG   LYS  68          2HG       LYS  68   8.228  -5.152 -15.802
  483   2HG   LYS  68          3HG       LYS  68   8.298  -6.045 -17.307
  484   1HD   LYS  68          2HD       LYS  68   6.045  -4.141 -17.257
  485   2HD   LYS  68          3HD       LYS  68   7.587  -3.342 -17.013
  486   1HE   LYS  68          2HE       LYS  68   8.338  -4.910 -19.065
  487   2HE   LYS  68          3HE       LYS  68   6.618  -4.913 -19.403
  488   1HZ   LYS  68          1HZ       LYS  68   8.178  -2.459 -18.988
  489   2HZ   LYS  68          2HZ       LYS  68   7.857  -3.094 -20.458
  490   3HZ   LYS  68          3HZ       LYS  68   6.635  -2.562 -19.514
  491    HHA  HEC  98           HGM      HEC  98  -4.143  -5.306   7.964
  492    HHB  HEC  98           HDM      HEC  98  -1.609  -2.846  13.112
  493    HHC  HEC  98           HAM      HEC  98   1.718   1.110   9.452
  494    HHD  HEC  98           HBM      HEC  98  -1.256  -1.156   4.469
  495   1HMA  HEC  98          1HM       HEC  98  -3.278  -6.361  13.029
  496   2HMA  HEC  98          2HM       HEC  98  -2.013  -5.226  13.554
  497   3HMA  HEC  98          3HM       HEC  98  -3.724  -4.741  13.615
  498   1HAA  HEC  98          1HA       HEC  98  -4.387  -7.041  11.263
  499   2HAA  HEC  98          2HA       HEC  98  -5.101  -6.303   9.809
  500   1HBA  HEC  98          3HB       HEC  98  -4.059  -7.962   8.600
  501   2HBA  HEC  98          4HB       HEC  98  -2.528  -7.129   8.960
  502   1HMB  HEC  98          1HM       HEC  98  -1.167  -0.215  14.331
  503   2HMB  HEC  98          2HM       HEC  98  -0.305  -1.763  14.491
  504   3HMB  HEC  98          3HM       HEC  98   0.593  -0.230  14.592
  505    HAB  HEC  98           HT2      HEC  98   2.193   1.573  11.351
  506   1HBB  HEC  98          1HT       HEC  98   3.741   1.326  13.204
  507   2HBB  HEC  98          2HT       HEC  98   2.919  -0.197  13.617
  508   3HBB  HEC  98          3HT       HEC  98   3.694  -0.007  12.026
  509   1HMC  HEC  98          1HM       HEC  98   1.737   3.012   7.622
  510   2HMC  HEC  98          2HM       HEC  98   3.019   1.780   7.679
  511   3HMC  HEC  98          3HM       HEC  98   2.492   2.446   6.115
  512    HAC  HEC  98           HT4      HEC  98  -0.755   1.571   4.336
  513   1HBC  HEC  98          1HT       HEC  98   1.523   0.855   2.775
  514   2HBC  HEC  98          2HT       HEC  98   1.124  -0.551   3.791
  515   3HBC  HEC  98          3HT       HEC  98  -0.111   0.153   2.719
  516   1HMD  HEC  98          1HM       HEC  98  -2.013  -2.389   2.961
  517   2HMD  HEC  98          2HM       HEC  98  -3.152  -3.753   2.864
  518   3HMD  HEC  98          3HM       HEC  98  -3.760  -2.107   3.160
  519   1HAD  HEC  98          1HA       HEC  98  -4.694  -5.732   5.778
  520   2HAD  HEC  98          2HA       HEC  98  -4.733  -4.898   4.206
  521   1HBD  HEC  98          3HB       HEC  98  -2.375  -5.834   3.862
  522   2HBD  HEC  98          4HB       HEC  98  -2.749  -6.912   5.229
  523    HHA  HEC 128           HGM      HEC 128   8.523   3.193  -1.310
  524    HHB  HEC 128           HDM      HEC 128   4.410  -1.108  -3.197
  525    HHC  HEC 128           HAM      HEC 128   0.111   1.456   0.683
  526    HHD  HEC 128           HBM      HEC 128   4.204   5.938   2.094
  527   1HMA  HEC 128          1HM       HEC 128   7.058  -1.059  -4.684
  528   2HMA  HEC 128          2HM       HEC 128   8.221  -1.624  -3.461
  529   3HMA  HEC 128          3HM       HEC 128   6.510  -2.099  -3.350
  530   1HAA  HEC 128          1HA       HEC 128   9.789   1.203  -1.565
  531   2HAA  HEC 128          2HA       HEC 128   9.684  -0.007  -2.867
  532   1HBA  HEC 128          3HB       HEC 128   8.594   2.547  -3.803
  533   2HBA  HEC 128          4HB       HEC 128  10.233   2.796  -3.156
  534   1HMB  HEC 128          1HM       HEC 128   2.682  -1.794  -3.910
  535   2HMB  HEC 128          2HM       HEC 128   1.643  -2.768  -2.844
  536   3HMB  HEC 128          3HM       HEC 128   0.926  -1.507  -3.874
  537    HAB  HEC 128           HT2      HEC 128  -0.902   0.080  -0.507
  538   1HBB  HEC 128          1HT       HEC 128  -1.245  -2.569  -0.230
  539   2HBB  HEC 128          2HT       HEC 128   0.446  -2.323   0.268
  540   3HBB  HEC 128          3HT       HEC 128  -0.853  -1.379   1.035
  541   1HMC  HEC 128          1HM       HEC 128  -1.287   3.978   1.613
  542   2HMC  HEC 128          2HM       HEC 128  -0.860   2.346   2.180
  543   3HMC  HEC 128          3HM       HEC 128  -0.712   3.736   3.279
  544    HAC  HEC 128           HT4      HEC 128   2.176   6.356   3.303
  545   1HBC  HEC 128          1HT       HEC 128  -0.811   5.925   2.901
  546   2HBC  HEC 128          2HT       HEC 128   0.110   5.241   4.261
  547   3HBC  HEC 128          3HT       HEC 128  -0.016   7.006   4.069
  548   1HMD  HEC 128          1HM       HEC 128   6.764   6.811   2.953
  549   2HMD  HEC 128          2HM       HEC 128   7.373   7.639   1.501
  550   3HMD  HEC 128          3HM       HEC 128   5.624   7.590   1.829
  551   1HAD  HEC 128          1HA       HEC 128   9.393   5.388  -0.425
  552   2HAD  HEC 128          2HA       HEC 128   9.030   6.452   0.953
  553   1HBD  HEC 128          3HB       HEC 128   9.525   4.758   2.518
  554   2HBD  HEC 128          4HB       HEC 128   9.541   3.498   1.261
  555    HHA  HEC 158           HGM      HEC 158  -3.516  -7.435  -6.575
  556    HHB  HEC 158           HDM      HEC 158  -3.219  -6.008 -12.645
  557    HHC  HEC 158           HAM      HEC 158  -0.929  -0.313 -11.083
  558    HHD  HEC 158           HBM      HEC 158  -0.866  -2.086  -5.110
  559   1HMA  HEC 158          1HM       HEC 158  -5.584  -7.664 -11.989
  560   2HMA  HEC 158          2HM       HEC 158  -3.963  -8.266 -12.409
  561   3HMA  HEC 158          3HM       HEC 158  -4.980  -9.174 -11.266
  562   1HAA  HEC 158          1HA       HEC 158  -4.831  -8.626  -7.328
  563   2HAA  HEC 158          2HA       HEC 158  -5.949  -8.864  -8.692
  564   1HBA  HEC 158          3HB       HEC 158  -3.812 -10.020  -9.835
  565   2HBA  HEC 158          4HB       HEC 158  -3.277 -10.217  -8.149
  566   1HMB  HEC 158          1HM       HEC 158  -1.487  -3.809 -15.151
  567   2HMB  HEC 158          2HM       HEC 158  -1.875  -5.355 -14.361
  568   3HMB  HEC 158          3HM       HEC 158  -3.184  -4.260 -14.863
  569    HAB  HEC 158           HT2      HEC 158  -0.423  -0.758 -13.352
  570   1HBB  HEC 158          1HT       HEC 158  -3.327  -0.277 -13.658
  571   2HBB  HEC 158          2HT       HEC 158  -2.117   0.552 -12.650
  572   3HBB  HEC 158          3HT       HEC 158  -2.070   0.726 -14.420
  573   1HMC  HEC 158          1HM       HEC 158   0.918   1.681  -8.760
  574   2HMC  HEC 158          2HM       HEC 158   0.297   1.107 -10.327
  575   3HMC  HEC 158          3HM       HEC 158  -0.766   2.012  -9.225
  576    HAC  HEC 158           HT4      HEC 158   0.235  -0.218  -5.233
  577   1HBC  HEC 158          1HT       HEC 158   0.676   2.109  -5.070
  578   2HBC  HEC 158          2HT       HEC 158   0.869   2.284  -6.831
  579   3HBC  HEC 158          3HT       HEC 158  -0.744   1.993  -6.138
  580   1HMD  HEC 158          1HM       HEC 158  -1.108  -2.759  -3.273
  581   2HMD  HEC 158          2HM       HEC 158  -2.162  -3.974  -2.511
  582   3HMD  HEC 158          3HM       HEC 158  -0.474  -4.382  -2.906
  583   1HAD  HEC 158          1HA       HEC 158  -2.953  -5.956  -2.848
  584   2HAD  HEC 158          2HA       HEC 158  -4.215  -6.472  -3.994
  585   1HBD  HEC 158          3HB       HEC 158  -1.686  -7.756  -4.570
  586   2HBD  HEC 158          4HB       HEC 158  -2.197  -8.035  -2.888
  Start of MODEL    4
    1    H    ALA   1           HN       ALA   1   2.379  -6.430  10.594
    2    HA   ALA   1           HA       ALA   1   4.647  -7.964  11.563
    3   1HB   ALA   1          1HB       ALA   1   2.967  -8.781   9.821
    4   2HB   ALA   1          2HB       ALA   1   3.682  -7.590   8.707
    5   3HB   ALA   1          3HB       ALA   1   4.683  -8.907   9.366
    6    H    ASP   2           HN       ASP   2   6.245  -7.595   9.138
    7    HA   ASP   2           HA       ASP   2   7.172  -4.896   9.725
    8   1HB   ASP   2          2HB       ASP   2   8.694  -7.318   8.649
    9   2HB   ASP   2          3HB       ASP   2   9.401  -5.734   8.894
   10    H    VAL   3           HN       VAL   3   7.403  -7.436   7.106
   11    HA   VAL   3           HA       VAL   3   6.495  -5.431   5.185
   12    HB   VAL   3           HB       VAL   3   9.029  -7.064   5.025
   13   1HG1  VAL   3          1HG       VAL   3   9.000  -7.035   2.789
   14   2HG1  VAL   3          2HG       VAL   3   7.282  -6.585   2.902
   15   3HG1  VAL   3          3HG       VAL   3   8.526  -5.320   2.745
   16   1HG2  VAL   3          1HG       VAL   3  10.165  -5.143   5.341
   17   2HG2  VAL   3          2HG       VAL   3   9.043  -4.195   4.334
   18   3HG2  VAL   3          3HG       VAL   3   8.636  -4.548   6.031
   19    H    VAL   4           HN       VAL   4   4.737  -6.251   4.186
   20    HA   VAL   4           HA       VAL   4   4.365  -9.129   4.242
   21    HB   VAL   4           HB       VAL   4   2.658  -6.716   3.775
   22   1HG1  VAL   4          1HG       VAL   4   1.975  -9.538   2.890
   23   2HG1  VAL   4          2HG       VAL   4   0.780  -8.237   3.105
   24   3HG1  VAL   4          3HG       VAL   4   2.061  -8.075   1.880
   25   1HG2  VAL   4          1HG       VAL   4   2.077  -9.195   5.411
   26   2HG2  VAL   4          2HG       VAL   4   3.048  -7.842   6.039
   27   3HG2  VAL   4          3HG       VAL   4   1.356  -7.574   5.553
   28    H    THR   5           HN       THR   5   3.664 -10.281   2.243
   29    HA   THR   5           HA       THR   5   4.722  -9.018  -0.191
   30    HB   THR   5           HB       THR   5   5.324 -11.816   0.906
   31    HG1  THR   5           HG1      THR   5   6.819  -9.374   0.251
   32   1HG2  THR   5          1HG       THR   5   5.633 -12.347  -1.316
   33   2HG2  THR   5          2HG       THR   5   5.511 -10.645  -1.823
   34   3HG2  THR   5          3HG       THR   5   7.056 -11.281  -1.208
   35    H    TYR   6           HN       TYR   6   3.298  -8.995  -1.808
   36    HA   TYR   6           HA       TYR   6   1.153 -11.008  -1.690
   37   1HB   TYR   6          2HB       TYR   6   1.303  -8.036  -1.922
   38   2HB   TYR   6          3HB       TYR   6   0.348  -8.741  -3.212
   39    HD1  TYR   6           HD1      TYR   6  -1.126 -10.904  -2.013
   40    HD2  TYR   6           HD2      TYR   6  -0.096  -7.112  -0.322
   41    HE1  TYR   6           HE1      TYR   6  -3.124 -11.051  -0.447
   42    HE2  TYR   6           HE2      TYR   6  -2.098  -7.271   1.237
   43    HH   TYR   6           HH       TYR   6  -4.025 -10.204   1.402
   44    H    GLU   7           HN       GLU   7   2.089 -12.513  -3.119
   45    HA   GLU   7           HA       GLU   7   3.161 -11.563  -5.585
   46   1HB   GLU   7          2HB       GLU   7   2.772 -14.284  -4.315
   47   2HB   GLU   7          3HB       GLU   7   3.195 -14.167  -6.012
   48   1HG   GLU   7          2HG       GLU   7   4.999 -12.392  -4.895
   49   2HG   GLU   7          3HG       GLU   7   4.842 -13.566  -3.603
   50    H    ASN   8           HN       ASN   8   2.175 -11.555  -7.608
   51    HA   ASN   8           HA       ASN   8  -0.484 -12.730  -7.708
   52   1HB   ASN   8          2HB       ASN   8   0.323  -9.999  -8.842
   53   2HB   ASN   8          3HB       ASN   8  -1.248 -10.745  -9.052
   54   1HD2  ASN   8          1HD       ASN   8   1.082  -9.780  -6.552
   55   2HD2  ASN   8          2HD       ASN   8  -0.067  -9.271  -5.358
   56    H    LYS   9           HN       LYS   9  -1.204 -12.749 -10.209
   57    HA   LYS   9           HA       LYS   9   0.573 -14.298 -11.614
   58   1HB   LYS   9          2HB       LYS   9  -1.969 -13.906 -11.908
   59   2HB   LYS   9          3HB       LYS   9  -1.512 -12.574 -12.951
   60   1HG   LYS   9          2HG       LYS   9  -1.528 -14.222 -14.563
   61   2HG   LYS   9          3HG       LYS   9   0.114 -14.469 -14.005
   62   1HD   LYS   9          2HD       LYS   9  -0.850 -16.160 -12.307
   63   2HD   LYS   9          3HD       LYS   9  -2.368 -16.033 -13.173
   64   1HE   LYS   9          2HE       LYS   9  -1.562 -17.148 -15.050
   65   2HE   LYS   9          3HE       LYS   9   0.070 -16.543 -14.849
   66   1HZ   LYS   9          1HZ       LYS   9  -0.121 -18.030 -12.705
   67   2HZ   LYS   9          2HZ       LYS   9  -1.174 -18.848 -13.648
   68   3HZ   LYS   9          3HZ       LYS   9   0.368 -18.633 -14.142
   69    H    LYS  10           HN       LYS  10  -0.284 -10.852 -12.412
   70    HA   LYS  10           HA       LYS  10   1.648 -10.440 -14.280
   71   1HB   LYS  10          2HB       LYS  10   0.099  -8.719 -12.415
   72   2HB   LYS  10          3HB       LYS  10   1.510  -7.989 -13.151
   73   1HG   LYS  10          2HG       LYS  10   0.692  -8.371 -15.378
   74   2HG   LYS  10          3HG       LYS  10  -0.508  -9.525 -14.830
   75   1HD   LYS  10          2HD       LYS  10  -1.846  -7.794 -13.793
   76   2HD   LYS  10          3HD       LYS  10  -0.563  -6.610 -13.944
   77   1HE   LYS  10          2HE       LYS  10  -1.158  -6.086 -16.082
   78   2HE   LYS  10          3HE       LYS  10  -1.244  -7.769 -16.557
   79   1HZ   LYS  10          1HZ       LYS  10  -3.362  -6.995 -14.825
   80   2HZ   LYS  10          2HZ       LYS  10  -3.348  -6.145 -16.219
   81   3HZ   LYS  10          3HZ       LYS  10  -3.425  -7.776 -16.258
   82    H    GLY  11           HN       GLY  11   1.988  -9.357 -10.825
   83   1HA   GLY  11          1HA       GLY  11   4.727 -10.362 -10.807
   84   2HA   GLY  11          2HA       GLY  11   4.524  -8.627 -10.676
   85    H    ASN  12           HN       ASN  12   5.161  -8.340  -8.522
   86    HA   ASN  12           HA       ASN  12   3.232  -9.309  -6.615
   87   1HB   ASN  12          2HB       ASN  12   4.992 -10.103  -5.050
   88   2HB   ASN  12          3HB       ASN  12   5.074 -11.000  -6.554
   89   1HD2  ASN  12          1HD       ASN  12   6.832  -9.438  -4.275
   90   2HD2  ASN  12          2HD       ASN  12   8.271  -9.049  -5.157
   91    H    VAL  13           HN       VAL  13   3.414  -8.028  -4.522
   92    HA   VAL  13           HA       VAL  13   5.006  -5.585  -4.847
   93    HB   VAL  13           HB       VAL  13   3.186  -4.235  -4.151
   94   1HG1  VAL  13          1HG       VAL  13   3.289  -5.124  -6.573
   95   2HG1  VAL  13          2HG       VAL  13   1.878  -6.112  -6.122
   96   3HG1  VAL  13          3HG       VAL  13   1.788  -4.337  -6.030
   97   1HG2  VAL  13          1HG       VAL  13   2.001  -5.357  -2.514
   98   2HG2  VAL  13          2HG       VAL  13   0.864  -5.437  -3.881
   99   3HG2  VAL  13          3HG       VAL  13   1.868  -6.849  -3.475
  100    H    THR  14           HN       THR  14   6.568  -5.875  -3.315
  101    HA   THR  14           HA       THR  14   6.079  -7.328  -0.924
  102    HB   THR  14           HB       THR  14   8.284  -7.037  -2.226
  103    HG1  THR  14           HG1      THR  14   8.137  -7.813   0.006
  104   1HG2  THR  14          1HG       THR  14   7.892  -4.359  -2.084
  105   2HG2  THR  14          2HG       THR  14   8.726  -4.585  -0.527
  106   3HG2  THR  14          3HG       THR  14   9.526  -5.064  -2.043
  107    H    PHE  15           HN       PHE  15   4.180  -6.353  -0.024
  108    HA   PHE  15           HA       PHE  15   3.801  -3.728   0.523
  109   1HB   PHE  15          2HB       PHE  15   3.139  -6.396   1.779
  110   2HB   PHE  15          3HB       PHE  15   2.825  -4.994   2.782
  111    HD1  PHE  15           HD1      PHE  15   2.508  -4.505  -0.785
  112    HD2  PHE  15           HD2      PHE  15   0.432  -5.685   2.723
  113    HE1  PHE  15           HE1      PHE  15   0.318  -4.152  -1.961
  114    HE2  PHE  15           HE2      PHE  15  -1.757  -5.333   1.546
  115    HZ   PHE  15           HZ       PHE  15  -1.788  -4.570  -0.782
  116    H    ASP  16           HN       ASP  16   3.840  -2.644   2.778
  117    HA   ASP  16           HA       ASP  16   6.259  -3.409   4.192
  118   1HB   ASP  16          2HB       ASP  16   5.499  -0.615   3.224
  119   2HB   ASP  16          3HB       ASP  16   6.736  -0.898   4.434
  120    H    HIS  17           HN       HIS  17   5.757  -3.572   6.386
  121    HA   HIS  17           HA       HIS  17   3.334  -2.200   7.271
  122   1HB   HIS  17          2HB       HIS  17   4.093  -4.858   7.479
  123   2HB   HIS  17          3HB       HIS  17   4.475  -4.218   9.065
  124    HD1  HIS  17           HD1      HIS  17   1.846  -5.927   7.538
  125    HD2  HIS  17           HD2      HIS  17   1.978  -2.435   9.859
  126    HE1  HIS  17           HE1      HIS  17  -0.503  -5.608   8.482
  127    H    LYS  18           HN       LYS  18   6.590  -3.208   8.550
  128    HA   LYS  18           HA       LYS  18   6.481  -1.016  10.429
  129   1HB   LYS  18          2HB       LYS  18   7.276  -3.213  11.157
  130   2HB   LYS  18          3HB       LYS  18   8.552  -3.180   9.957
  131   1HG   LYS  18          2HG       LYS  18   9.874  -2.097  11.442
  132   2HG   LYS  18          3HG       LYS  18   8.793  -0.720  11.359
  133   1HD   LYS  18          2HD       LYS  18   8.633  -1.156  13.631
  134   2HD   LYS  18          3HD       LYS  18   7.332  -2.189  13.069
  135   1HE   LYS  18          2HE       LYS  18   9.377  -3.953  12.808
  136   2HE   LYS  18          3HE       LYS  18  10.068  -2.947  14.066
  137   1HZ   LYS  18          1HZ       LYS  18   8.661  -3.787  15.525
  138   2HZ   LYS  18          2HZ       LYS  18   7.353  -3.544  14.577
  139   3HZ   LYS  18          3HZ       LYS  18   8.237  -4.908  14.415
  140    H    ALA  19           HN       ALA  19   7.948  -1.874   7.313
  141    HA   ALA  19           HA       ALA  19   9.934   0.140   7.364
  142   1HB   ALA  19          1HB       ALA  19  10.540  -0.834   5.414
  143   2HB   ALA  19          2HB       ALA  19   9.299  -2.052   5.794
  144   3HB   ALA  19          3HB       ALA  19   8.904  -0.683   4.728
  145    H    HIS  20           HN       HIS  20   6.468   0.036   6.629
  146    HA   HIS  20           HA       HIS  20   6.604   2.665   5.417
  147   1HB   HIS  20          2HB       HIS  20   4.691   0.422   5.462
  148   2HB   HIS  20          3HB       HIS  20   3.943   2.004   5.561
  149    HD1  HIS  20           HD1      HIS  20   7.121   1.535   3.571
  150    HD2  HIS  20           HD2      HIS  20   2.991   1.869   2.914
  151    HE1  HIS  20           HE1      HIS  20   6.819   1.854   1.057
  152    H    ALA  21           HN       ALA  21   5.076   0.973   8.236
  153    HA   ALA  21           HA       ALA  21   3.707   2.940   9.408
  154   1HB   ALA  21          1HB       ALA  21   5.482   0.755  10.477
  155   2HB   ALA  21          2HB       ALA  21   4.730   1.901  11.613
  156   3HB   ALA  21          3HB       ALA  21   3.710   0.909  10.542
  157    H    GLU  22           HN       GLU  22   7.235   2.763   9.013
  158    HA   GLU  22           HA       GLU  22   7.993   4.566  10.919
  159   1HB   GLU  22          2HB       GLU  22   9.191   4.252   8.132
  160   2HB   GLU  22          3HB       GLU  22  10.009   4.908   9.536
  161   1HG   GLU  22          2HG       GLU  22   8.971   2.383  10.361
  162   2HG   GLU  22          3HG       GLU  22   9.646   2.118   8.766
  163    H    LYS  23           HN       LYS  23   6.988   5.164   7.485
  164    HA   LYS  23           HA       LYS  23   7.004   8.022   8.025
  165   1HB   LYS  23          2HB       LYS  23   6.605   6.435   5.473
  166   2HB   LYS  23          3HB       LYS  23   6.554   8.183   5.571
  167   1HG   LYS  23          2HG       LYS  23   8.923   7.777   6.836
  168   2HG   LYS  23          3HG       LYS  23   8.905   6.329   5.849
  169   1HD   LYS  23          2HD       LYS  23   8.124   8.246   4.006
  170   2HD   LYS  23          3HD       LYS  23   9.203   9.175   5.028
  171   1HE   LYS  23          2HE       LYS  23  10.757   6.982   4.759
  172   2HE   LYS  23          3HE       LYS  23   9.817   6.788   3.293
  173   1HZ   LYS  23          1HZ       LYS  23  11.816   8.705   3.892
  174   2HZ   LYS  23          2HZ       LYS  23  11.226   8.241   2.441
  175   3HZ   LYS  23          3HZ       LYS  23  10.464   9.404   3.297
  176    H    LEU  24           HN       LEU  24   4.736   5.490   6.736
  177    HA   LEU  24           HA       LEU  24   2.480   7.003   6.626
  178   1HB   LEU  24          2HB       LEU  24   2.890   4.101   7.331
  179   2HB   LEU  24          3HB       LEU  24   1.298   4.807   7.130
  180    HG   LEU  24           HG       LEU  24   2.010   5.506   4.797
  181   1HD1  LEU  24          1HD       LEU  24   4.315   5.460   4.720
  182   2HD1  LEU  24          2HD       LEU  24   4.428   3.924   5.612
  183   3HD1  LEU  24          3HD       LEU  24   3.894   3.931   3.914
  184   1HD2  LEU  24          1HD       LEU  24   1.425   3.420   3.835
  185   2HD2  LEU  24          2HD       LEU  24   2.048   2.514   5.235
  186   3HD2  LEU  24          3HD       LEU  24   0.581   3.509   5.400
  187    H    GLY  25           HN       GLY  25   2.713   4.643   9.331
  188   1HA   GLY  25          1HA       GLY  25   2.927   5.479  11.614
  189   2HA   GLY  25          2HA       GLY  25   1.901   6.825  11.158
  190    H    CYS  26           HN       CYS  26   1.245   3.620   9.799
  191    HA   CYS  26           HA       CYS  26  -0.361   2.156  10.116
  192   1HB   CYS  26          2HB       CYS  26  -1.199   3.083  12.802
  193   2HB   CYS  26          3HB       CYS  26  -0.926   1.461  12.199
  194    H    ASP  27           HN       ASP  27  -1.526   4.995  12.083
  195    HA   ASP  27           HA       ASP  27  -4.079   4.989  11.469
  196   1HB   ASP  27          2HB       ASP  27  -2.282   7.459  11.412
  197   2HB   ASP  27          3HB       ASP  27  -4.023   7.506  11.604
  198    H    ALA  28           HN       ALA  28  -1.368   5.821   9.310
  199    HA   ALA  28           HA       ALA  28  -2.626   7.250   7.337
  200   1HB   ALA  28          1HB       ALA  28  -0.598   7.032   6.378
  201   2HB   ALA  28          2HB       ALA  28  -0.146   6.024   7.773
  202   3HB   ALA  28          3HB       ALA  28  -0.757   5.262   6.286
  203    H    CYS  29           HN       CYS  29  -2.519   3.682   7.880
  204    HA   CYS  29           HA       CYS  29  -4.424   3.406   5.681
  205   1HB   CYS  29          2HB       CYS  29  -2.997   1.142   7.062
  206   2HB   CYS  29          3HB       CYS  29  -3.798   1.141   5.503
  207    H    HIS  30           HN       HIS  30  -3.700   2.342   9.083
  208    HA   HIS  30           HA       HIS  30  -6.516   1.678   9.388
  209   1HB   HIS  30          2HB       HIS  30  -4.351   1.186  11.426
  210   2HB   HIS  30          3HB       HIS  30  -5.897   0.378  11.253
  211    HD1  HIS  30           HD1      HIS  30  -5.877  -1.801  10.005
  212    HD2  HIS  30           HD2      HIS  30  -2.502   0.545   9.168
  213    HE1  HIS  30           HE1      HIS  30  -4.353  -3.237   8.548
  214    H    GLU  31           HN       GLU  31  -6.310   2.054  12.364
  215    HA   GLU  31           HA       GLU  31  -6.055   4.937  12.493
  216   1HB   GLU  31          2HB       GLU  31  -8.512   3.500  13.573
  217   2HB   GLU  31          3HB       GLU  31  -8.237   5.230  13.520
  218   1HG   GLU  31          2HG       GLU  31  -9.351   5.199  11.534
  219   2HG   GLU  31          3HG       GLU  31  -7.891   4.511  10.852
  220    H    GLY  32           HN       GLY  32  -7.329   4.977  15.196
  221   1HA   GLY  32          1HA       GLY  32  -5.124   4.617  16.803
  222   2HA   GLY  32          2HA       GLY  32  -6.788   4.656  17.355
  223    H    THR  33           HN       THR  33  -7.311   2.203  15.468
  224    HA   THR  33           HA       THR  33  -5.782   0.126  16.774
  225    HB   THR  33           HB       THR  33  -8.774   0.559  17.267
  226    HG1  THR  33           HG1      THR  33  -6.361   0.214  18.908
  227   1HG2  THR  33          1HG       THR  33  -6.934  -1.822  17.775
  228   2HG2  THR  33          2HG       THR  33  -8.354  -1.510  18.802
  229   3HG2  THR  33          3HG       THR  33  -8.566  -1.829  17.064
  230    HA   PRO  34           HA       PRO  34  -6.627  -1.147  12.676
  231   1HB   PRO  34          2HB       PRO  34  -4.513  -2.865  12.452
  232   2HB   PRO  34          3HB       PRO  34  -4.405  -1.156  12.074
  233   1HG   PRO  34          2HG       PRO  34  -3.378  -2.598  14.441
  234   2HG   PRO  34          3HG       PRO  34  -2.928  -1.016  13.840
  235   1HD   PRO  34          2HD       PRO  34  -4.623  -1.578  16.083
  236   2HD   PRO  34          3HD       PRO  34  -4.265  -0.001  15.410
  237    H    ALA  35           HN       ALA  35  -6.187  -3.688  11.714
  238    HA   ALA  35           HA       ALA  35  -6.927  -5.717  13.418
  239   1HB   ALA  35          1HB       ALA  35  -9.397  -5.888  12.708
  240   2HB   ALA  35          2HB       ALA  35  -8.993  -4.667  13.938
  241   3HB   ALA  35          3HB       ALA  35  -9.262  -4.174  12.250
  242    H    LYS  36           HN       LYS  36  -7.720  -4.256  10.194
  243    HA   LYS  36           HA       LYS  36  -6.157  -6.054   8.778
  244   1HB   LYS  36          2HB       LYS  36  -7.523  -7.750   8.046
  245   2HB   LYS  36          3HB       LYS  36  -8.070  -7.577   9.701
  246   1HG   LYS  36          2HG       LYS  36 -10.163  -7.294   8.866
  247   2HG   LYS  36          3HG       LYS  36  -9.643  -5.709   8.327
  248   1HD   LYS  36          2HD       LYS  36 -10.114  -6.431   6.220
  249   2HD   LYS  36          3HD       LYS  36  -8.630  -7.358   6.325
  250   1HE   LYS  36          2HE       LYS  36 -10.283  -8.963   5.709
  251   2HE   LYS  36          3HE       LYS  36 -10.039  -9.232   7.424
  252   1HZ   LYS  36          1HZ       LYS  36 -12.401  -8.836   6.343
  253   2HZ   LYS  36          2HZ       LYS  36 -12.066  -8.452   7.895
  254   3HZ   LYS  36          3HZ       LYS  36 -12.051  -7.292   6.746
  255    H    ILE  37           HN       ILE  37  -7.163  -6.086   6.299
  256    HA   ILE  37           HA       ILE  37  -8.500  -3.586   5.757
  257    HB   ILE  37           HB       ILE  37  -5.645  -4.094   4.922
  258   1HG1  ILE  37          2HG       ILE  37  -6.976  -2.006   6.658
  259   2HG1  ILE  37          3HG       ILE  37  -5.727  -3.149   7.109
  260   1HG2  ILE  37          1HG       ILE  37  -7.191  -3.239   3.081
  261   2HG2  ILE  37          2HG       ILE  37  -7.338  -1.752   4.048
  262   3HG2  ILE  37          3HG       ILE  37  -5.745  -2.267   3.445
  263   1HD1  ILE  37          1HD       ILE  37  -5.500  -0.604   5.533
  264   2HD1  ILE  37          2HD       ILE  37  -4.392  -1.293   6.745
  265   3HD1  ILE  37          3HD       ILE  37  -4.409  -1.939   5.086
  266    H    ALA  38           HN       ALA  38  -9.404  -3.523   3.623
  267    HA   ALA  38           HA       ALA  38  -9.636  -6.197   2.491
  268   1HB   ALA  38          1HB       ALA  38 -11.175  -3.718   1.677
  269   2HB   ALA  38          2HB       ALA  38 -11.659  -5.426   1.542
  270   3HB   ALA  38          3HB       ALA  38 -11.602  -4.639   3.139
  271    H    ILE  39           HN       ILE  39  -7.842  -6.593   1.216
  272    HA   ILE  39           HA       ILE  39  -7.406  -4.635  -0.929
  273    HB   ILE  39           HB       ILE  39  -5.381  -6.168   0.694
  274   1HG1  ILE  39          2HG       ILE  39  -6.389  -3.841   1.361
  275   2HG1  ILE  39          3HG       ILE  39  -4.671  -4.151   1.517
  276   1HG2  ILE  39          1HG       ILE  39  -4.653  -6.461  -1.544
  277   2HG2  ILE  39          2HG       ILE  39  -5.048  -4.779  -1.971
  278   3HG2  ILE  39          3HG       ILE  39  -3.694  -5.123  -0.867
  279   1HD1  ILE  39          1HD       ILE  39  -5.135  -1.954   0.423
  280   2HD1  ILE  39          2HD       ILE  39  -4.230  -3.051  -0.648
  281   3HD1  ILE  39          3HD       ILE  39  -5.977  -2.807  -0.895
  282    H    ASP  40           HN       ASP  40  -7.046  -5.486  -3.016
  283    HA   ASP  40           HA       ASP  40  -6.630  -8.181  -3.483
  284   1HB   ASP  40          2HB       ASP  40  -9.176  -7.933  -2.643
  285   2HB   ASP  40          3HB       ASP  40  -9.441  -7.442  -4.305
  286    H    LYS  41           HN       LYS  41  -8.910  -5.680  -4.860
  287    HA   LYS  41           HA       LYS  41  -7.145  -4.653  -6.732
  288   1HB   LYS  41          2HB       LYS  41  -7.512  -7.161  -7.507
  289   2HB   LYS  41          3HB       LYS  41  -8.994  -6.514  -8.180
  290   1HG   LYS  41          2HG       LYS  41  -6.715  -4.747  -8.743
  291   2HG   LYS  41          3HG       LYS  41  -6.413  -6.372  -9.325
  292   1HD   LYS  41          2HD       LYS  41  -8.605  -6.348 -10.533
  293   2HD   LYS  41          3HD       LYS  41  -8.911  -4.724  -9.949
  294   1HE   LYS  41          2HE       LYS  41  -7.619  -3.807 -11.581
  295   2HE   LYS  41          3HE       LYS  41  -6.269  -4.853 -11.190
  296   1HZ   LYS  41          1HZ       LYS  41  -7.764  -6.590 -12.394
  297   2HZ   LYS  41          2HZ       LYS  41  -8.391  -5.267 -13.116
  298   3HZ   LYS  41          3HZ       LYS  41  -6.795  -5.588 -13.244
  299    H    LYS  42           HN       LYS  42  -8.476  -3.076  -5.337
  300    HA   LYS  42           HA       LYS  42 -10.401  -1.900  -7.019
  301   1HB   LYS  42          2HB       LYS  42 -11.565  -3.943  -5.715
  302   2HB   LYS  42          3HB       LYS  42 -11.732  -2.713  -4.479
  303   1HG   LYS  42          2HG       LYS  42 -13.426  -1.732  -5.620
  304   2HG   LYS  42          3HG       LYS  42 -12.403  -1.520  -7.028
  305   1HD   LYS  42          2HD       LYS  42 -13.103  -3.533  -8.022
  306   2HD   LYS  42          3HD       LYS  42 -13.524  -4.271  -6.488
  307   1HE   LYS  42          2HE       LYS  42 -15.555  -2.984  -6.300
  308   2HE   LYS  42          3HE       LYS  42 -15.061  -1.871  -7.560
  309   1HZ   LYS  42          1HZ       LYS  42 -15.124  -4.587  -8.415
  310   2HZ   LYS  42          2HZ       LYS  42 -16.583  -4.036  -7.933
  311   3HZ   LYS  42          3HZ       LYS  42 -15.768  -3.261  -9.116
  312    H    SER  43           HN       SER  43  -9.822  -2.211  -3.439
  313    HA   SER  43           HA       SER  43  -9.849   0.608  -3.196
  314   1HB   SER  43          2HB       SER  43 -10.170  -1.591  -1.474
  315   2HB   SER  43          3HB       SER  43  -8.671  -0.861  -0.935
  316    HG   SER  43           HG       SER  43  -9.828   0.665   0.002
  317    H    ALA  44           HN       ALA  44  -7.350  -2.012  -3.018
  318    HA   ALA  44           HA       ALA  44  -5.184  -0.435  -2.350
  319   1HB   ALA  44          1HB       ALA  44  -4.024  -2.370  -2.668
  320   2HB   ALA  44          2HB       ALA  44  -5.647  -3.083  -2.838
  321   3HB   ALA  44          3HB       ALA  44  -4.715  -2.638  -4.288
  322    H    HIS  45           HN       HIS  45  -7.116  -0.480  -5.240
  323    HA   HIS  45           HA       HIS  45  -4.972   0.816  -6.736
  324   1HB   HIS  45          2HB       HIS  45  -7.488  -0.632  -7.495
  325   2HB   HIS  45          3HB       HIS  45  -6.831   0.565  -8.593
  326    HD1  HIS  45           HD1      HIS  45  -6.920  -2.440  -9.368
  327    HD2  HIS  45           HD2      HIS  45  -3.604  -0.543  -7.635
  328    HE1  HIS  45           HE1      HIS  45  -4.884  -3.844  -9.996
  329    H    LYS  46           HN       LYS  46  -7.088   1.733  -4.474
  330    HA   LYS  46           HA       LYS  46  -7.817   4.184  -5.923
  331   1HB   LYS  46          2HB       LYS  46  -9.457   2.329  -4.441
  332   2HB   LYS  46          3HB       LYS  46  -9.476   3.891  -3.645
  333   1HG   LYS  46          2HG       LYS  46 -10.422   4.985  -5.490
  334   2HG   LYS  46          3HG       LYS  46  -9.751   3.854  -6.647
  335   1HD   LYS  46          2HD       LYS  46 -11.430   2.236  -5.089
  336   2HD   LYS  46          3HD       LYS  46 -12.319   3.742  -5.189
  337   1HE   LYS  46          2HE       LYS  46 -11.125   2.928  -7.778
  338   2HE   LYS  46          3HE       LYS  46 -12.267   1.756  -7.151
  339   1HZ   LYS  46          1HZ       LYS  46 -13.682   3.859  -6.746
  340   2HZ   LYS  46          2HZ       LYS  46 -12.731   4.525  -7.894
  341   3HZ   LYS  46          3HZ       LYS  46 -13.619   3.198  -8.238
  342    H    ASP  47           HN       ASP  47  -8.603   5.628  -3.564
  343    HA   ASP  47           HA       ASP  47  -6.366   6.890  -2.910
  344   1HB   ASP  47          2HB       ASP  47  -8.541   6.284  -0.858
  345   2HB   ASP  47          3HB       ASP  47  -7.516   7.704  -0.907
  346    H    ALA  48           HN       ALA  48  -7.485   3.727  -1.766
  347    HA   ALA  48           HA       ALA  48  -6.331   3.335   0.616
  348   1HB   ALA  48          1HB       ALA  48  -7.544   1.735  -1.088
  349   2HB   ALA  48          2HB       ALA  48  -5.885   1.299  -1.564
  350   3HB   ALA  48          3HB       ALA  48  -6.420   1.056   0.115
  351    H    CYS  49           HN       CYS  49  -4.607   3.034  -2.571
  352    HA   CYS  49           HA       CYS  49  -2.135   3.496  -1.065
  353   1HB   CYS  49          2HB       CYS  49  -2.443   1.848  -3.582
  354   2HB   CYS  49          3HB       CYS  49  -0.951   2.148  -2.712
  355    H    LYS  50           HN       LYS  50  -3.686   3.667  -4.358
  356    HA   LYS  50           HA       LYS  50  -2.108   5.259  -5.727
  357   1HB   LYS  50          2HB       LYS  50  -5.064   5.078  -5.486
  358   2HB   LYS  50          3HB       LYS  50  -4.445   6.485  -6.327
  359   1HG   LYS  50          2HG       LYS  50  -3.017   4.051  -7.146
  360   2HG   LYS  50          3HG       LYS  50  -4.746   3.880  -7.384
  361   1HD   LYS  50          2HD       LYS  50  -3.909   6.534  -8.247
  362   2HD   LYS  50          3HD       LYS  50  -2.894   5.326  -9.012
  363   1HE   LYS  50          2HE       LYS  50  -5.738   4.536  -9.004
  364   2HE   LYS  50          3HE       LYS  50  -5.483   6.067  -9.818
  365   1HZ   LYS  50          1HZ       LYS  50  -3.458   4.478 -10.682
  366   2HZ   LYS  50          2HZ       LYS  50  -4.747   3.475 -10.650
  367   3HZ   LYS  50          3HZ       LYS  50  -4.809   4.858 -11.518
  368    H    THR  51           HN       THR  51  -4.738   6.935  -3.885
  369    HA   THR  51           HA       THR  51  -3.829   9.425  -3.891
  370    HB   THR  51           HB       THR  51  -5.090   7.763  -1.668
  371    HG1  THR  51           HG1      THR  51  -6.901   9.050  -2.519
  372   1HG2  THR  51          1HG       THR  51  -5.833  10.320  -1.082
  373   2HG2  THR  51          2HG       THR  51  -4.468   9.518  -0.269
  374   3HG2  THR  51          3HG       THR  51  -4.167  10.625  -1.630
  375    H    CYS  52           HN       CYS  52  -3.056   7.622  -0.872
  376    HA   CYS  52           HA       CYS  52  -0.876   9.264  -0.336
  377   1HB   CYS  52          2HB       CYS  52  -2.254   7.800   1.250
  378   2HB   CYS  52          3HB       CYS  52  -1.231   6.471   0.742
  379    H    HIS  53           HN       HIS  53   0.492   9.343  -2.214
  380    HA   HIS  53           HA       HIS  53   2.638   7.759  -2.302
  381   1HB   HIS  53          2HB       HIS  53   0.375   6.308  -3.390
  382   2HB   HIS  53          3HB       HIS  53   1.612   6.521  -4.612
  383    HD1  HIS  53           HD1      HIS  53   4.214   6.048  -3.299
  384    HD2  HIS  53           HD2      HIS  53   0.784   3.924  -2.152
  385    HE1  HIS  53           HE1      HIS  53   5.040   3.919  -2.160
  386    H    LYS  54           HN       LYS  54   0.195   8.783  -4.800
  387    HA   LYS  54           HA       LYS  54   2.232   9.965  -6.401
  388   1HB   LYS  54          2HB       LYS  54   0.280  10.750  -7.754
  389   2HB   LYS  54          3HB       LYS  54   0.348   9.017  -7.507
  390   1HG   LYS  54          2HG       LYS  54  -1.411   9.051  -5.888
  391   2HG   LYS  54          3HG       LYS  54  -1.250  10.775  -5.614
  392   1HD   LYS  54          2HD       LYS  54  -2.593  11.308  -7.389
  393   2HD   LYS  54          3HD       LYS  54  -1.842  10.123  -8.438
  394   1HE   LYS  54          2HE       LYS  54  -3.240   8.352  -7.646
  395   2HE   LYS  54          3HE       LYS  54  -3.696   9.231  -6.202
  396   1HZ   LYS  54          1HZ       LYS  54  -5.446   9.297  -7.799
  397   2HZ   LYS  54          2HZ       LYS  54  -4.852  10.809  -7.633
  398   3HZ   LYS  54          3HZ       LYS  54  -4.472   9.923  -8.951
  399    H    SER  55           HN       SER  55   3.094  11.191  -4.401
  400    HA   SER  55           HA       SER  55   2.019  13.848  -4.624
  401   1HB   SER  55          2HB       SER  55   1.914  12.191  -2.126
  402   2HB   SER  55          3HB       SER  55   2.404  13.863  -1.933
  403    HG   SER  55           HG       SER  55  -0.076  12.825  -2.964
  404    H    ASN  56           HN       ASN  56   4.428  11.604  -3.120
  405    HA   ASN  56           HA       ASN  56   6.365  13.766  -3.285
  406   1HB   ASN  56          2HB       ASN  56   5.834  12.135  -1.162
  407   2HB   ASN  56          3HB       ASN  56   7.030  11.136  -1.965
  408   1HD2  ASN  56          1HD       ASN  56   6.390  14.412  -0.783
  409   2HD2  ASN  56          2HD       ASN  56   8.019  14.829  -0.370
  410    H    ASN  57           HN       ASN  57   6.360  10.117  -3.485
  411    HA   ASN  57           HA       ASN  57   7.159  10.070  -6.148
  412   1HB   ASN  57          2HB       ASN  57   9.368  10.739  -5.620
  413   2HB   ASN  57          3HB       ASN  57   9.331   9.978  -4.041
  414   1HD2  ASN  57          1HD       ASN  57   9.558   7.728  -3.849
  415   2HD2  ASN  57          2HD       ASN  57  10.315   6.768  -5.075
  416    H    GLY  58           HN       GLY  58   7.608   7.728  -6.817
  417   1HA   GLY  58          1HA       GLY  58   7.875   5.460  -5.681
  418   2HA   GLY  58          2HA       GLY  58   6.369   5.873  -4.887
  419    HA   PRO  59           HA       PRO  59   5.083   3.841  -8.676
  420   1HB   PRO  59          2HB       PRO  59   3.079   2.344  -7.575
  421   2HB   PRO  59          3HB       PRO  59   4.722   1.761  -7.759
  422   1HG   PRO  59          2HG       PRO  59   3.338   2.665  -5.308
  423   2HG   PRO  59          3HG       PRO  59   4.793   1.699  -5.454
  424   1HD   PRO  59          2HD       PRO  59   4.642   4.482  -4.777
  425   2HD   PRO  59          3HD       PRO  59   6.099   3.544  -5.037
  426    H    THR  60           HN       THR  60   3.708   4.587 -10.197
  427    HA   THR  60           HA       THR  60   1.140   5.507  -9.469
  428    HB   THR  60           HB       THR  60   3.425   7.497  -9.637
  429    HG1  THR  60           HG1      THR  60   0.923   7.038  -8.175
  430   1HG2  THR  60          1HG       THR  60   0.504   8.292  -9.957
  431   2HG2  THR  60          2HG       THR  60   1.956   9.290 -10.208
  432   3HG2  THR  60          3HG       THR  60   1.530   8.027 -11.388
  433    H    LYS  61           HN       LYS  61   3.901   5.587 -11.758
  434    HA   LYS  61           HA       LYS  61   2.070   5.899 -13.973
  435   1HB   LYS  61          2HB       LYS  61   4.019   6.120 -15.325
  436   2HB   LYS  61          3HB       LYS  61   4.287   7.053 -13.866
  437   1HG   LYS  61          2HG       LYS  61   5.440   4.891 -12.934
  438   2HG   LYS  61          3HG       LYS  61   5.464   4.348 -14.600
  439   1HD   LYS  61          2HD       LYS  61   6.414   7.128 -14.330
  440   2HD   LYS  61          3HD       LYS  61   7.366   6.013 -13.370
  441   1HE   LYS  61          2HE       LYS  61   7.903   4.653 -15.304
  442   2HE   LYS  61          3HE       LYS  61   6.701   5.458 -16.293
  443   1HZ   LYS  61          1HZ       LYS  61   8.302   7.454 -15.382
  444   2HZ   LYS  61          2HZ       LYS  61   9.347   6.249 -15.731
  445   3HZ   LYS  61          3HZ       LYS  61   8.328   6.803 -16.880
  446    H    CYS  62           HN       CYS  62   1.351   3.668 -12.497
  447    HA   CYS  62           HA       CYS  62   0.837   1.552 -12.763
  448   1HB   CYS  62          2HB       CYS  62   0.541   2.279 -15.173
  449   2HB   CYS  62          3HB       CYS  62   2.128   1.607 -15.492
  450    H    GLY  63           HN       GLY  63   3.891   1.650 -14.736
  451   1HA   GLY  63          1HA       GLY  63   5.028  -0.609 -13.531
  452   2HA   GLY  63          2HA       GLY  63   5.863   0.605 -14.480
  453    H    GLY  64           HN       GLY  64   4.615  -0.129 -11.174
  454   1HA   GLY  64          1HA       GLY  64   6.965   1.173 -10.044
  455   2HA   GLY  64          2HA       GLY  64   5.412   1.866  -9.622
  456    H    CYS  65           HN       CYS  65   3.666   0.121  -8.931
  457    HA   CYS  65           HA       CYS  65   4.781  -1.214  -6.703
  458   1HB   CYS  65          2HB       CYS  65   2.000  -1.183  -7.883
  459   2HB   CYS  65          3HB       CYS  65   2.418  -2.072  -6.431
  460    H    HIS  66           HN       HIS  66   3.069  -2.304  -9.730
  461    HA   HIS  66           HA       HIS  66   3.729  -5.023  -9.236
  462   1HB   HIS  66          2HB       HIS  66   2.411  -3.494 -11.462
  463   2HB   HIS  66          3HB       HIS  66   2.909  -5.153 -11.728
  464    HD1  HIS  66           HD1      HIS  66   1.185  -6.865 -11.160
  465    HD2  HIS  66           HD2      HIS  66   0.658  -3.319  -8.982
  466    HE1  HIS  66           HE1      HIS  66  -0.945  -7.178  -9.789
  467    H    ILE  67           HN       ILE  67   5.998  -5.181  -9.021
  468    HA   ILE  67           HA       ILE  67   7.909  -3.997 -10.519
  469    HB   ILE  67           HB       ILE  67   8.071  -5.584  -8.525
  470   1HG1  ILE  67          2HG       ILE  67  10.137  -5.891 -10.721
  471   2HG1  ILE  67          3HG       ILE  67   9.967  -4.458  -9.727
  472   1HG2  ILE  67          1HG       ILE  67   8.378  -7.883  -8.862
  473   2HG2  ILE  67          2HG       ILE  67   6.943  -7.473  -9.832
  474   3HG2  ILE  67          3HG       ILE  67   8.518  -7.701 -10.627
  475   1HD1  ILE  67          1HD       ILE  67  11.326  -5.459  -8.214
  476   2HD1  ILE  67          2HD       ILE  67   9.993  -6.589  -7.872
  477   3HD1  ILE  67          3HD       ILE  67  11.233  -7.011  -9.078
  478    H    LYS  68           HN       LYS  68   7.951  -3.708 -12.687
  479    HA   LYS  68           HA       LYS  68   7.339  -6.071 -14.322
  480   1HB   LYS  68          2HB       LYS  68   5.940  -3.733 -14.317
  481   2HB   LYS  68          3HB       LYS  68   7.126  -3.389 -15.559
  482   1HG   LYS  68          2HG       LYS  68   6.353  -6.013 -16.157
  483   2HG   LYS  68          3HG       LYS  68   4.858  -5.288 -15.603
  484   1HD   LYS  68          2HD       LYS  68   4.683  -3.936 -17.443
  485   2HD   LYS  68          3HD       LYS  68   6.383  -3.515 -17.417
  486   1HE   LYS  68          2HE       LYS  68   6.914  -5.104 -18.971
  487   2HE   LYS  68          3HE       LYS  68   5.982  -6.339 -18.149
  488   1HZ   LYS  68          1HZ       LYS  68   4.889  -4.267 -19.923
  489   2HZ   LYS  68          2HZ       LYS  68   5.040  -5.855 -20.274
  490   3HZ   LYS  68          3HZ       LYS  68   3.990  -5.370 -19.120
  491    HHA  HEC  98           HGM      HEC  98  -4.069  -6.216   8.383
  492    HHB  HEC  98           HDM      HEC  98  -1.813  -3.454  13.507
  493    HHC  HEC  98           HAM      HEC  98   1.239   0.678   9.804
  494    HHD  HEC  98           HBM      HEC  98  -1.472  -1.922   4.834
  495   1HMA  HEC  98          1HM       HEC  98  -3.257  -5.208  14.161
  496   2HMA  HEC  98          2HM       HEC  98  -3.734  -6.811  13.553
  497   3HMA  HEC  98          3HM       HEC  98  -2.012  -6.424  13.789
  498   1HAA  HEC  98          1HA       HEC  98  -4.321  -7.838  11.716
  499   2HAA  HEC  98          2HA       HEC  98  -4.914  -7.267  10.139
  500   1HBA  HEC  98          3HB       HEC  98  -3.700  -9.087   9.336
  501   2HBA  HEC  98          4HB       HEC  98  -2.334  -7.954   9.457
  502   1HMB  HEC  98          1HM       HEC  98  -0.981  -0.235  14.760
  503   2HMB  HEC  98          2HM       HEC  98  -1.386  -1.967  14.745
  504   3HMB  HEC  98          3HM       HEC  98   0.296  -1.450  15.006
  505    HAB  HEC  98           HT2      HEC  98   1.518   1.312  11.718
  506   1HBB  HEC  98          1HT       HEC  98   3.366   1.154  13.082
  507   2HBB  HEC  98          2HT       HEC  98   2.704  -0.256  13.943
  508   3HBB  HEC  98          3HT       HEC  98   3.144  -0.389  12.225
  509   1HMC  HEC  98          1HM       HEC  98   1.141   2.603   7.084
  510   2HMC  HEC  98          2HM       HEC  98   1.929   1.843   8.487
  511   3HMC  HEC  98          3HM       HEC  98   2.521   1.506   6.844
  512    HAC  HEC  98           HT4      HEC  98  -1.181   0.626   4.557
  513   1HBC  HEC  98          1HT       HEC  98   0.230  -1.075   3.597
  514   2HBC  HEC  98          2HT       HEC  98   0.661   0.467   2.821
  515   3HBC  HEC  98          3HT       HEC  98   1.708  -0.214   4.088
  516   1HMD  HEC  98          1HM       HEC  98  -2.313  -4.395   3.227
  517   2HMD  HEC  98          2HM       HEC  98  -4.026  -3.954   3.430
  518   3HMD  HEC  98          3HM       HEC  98  -2.772  -2.691   3.468
  519   1HAD  HEC  98          1HA       HEC  98  -4.270  -6.896   6.234
  520   2HAD  HEC  98          2HA       HEC  98  -4.854  -5.935   4.855
  521   1HBD  HEC  98          3HB       HEC  98  -3.472  -7.990   4.326
  522   2HBD  HEC  98          4HB       HEC  98  -2.970  -6.466   3.553
  523    HHA  HEC 128           HGM      HEC 128   8.026   3.480  -1.381
  524    HHB  HEC 128           HDM      HEC 128   4.004  -0.957  -3.142
  525    HHC  HEC 128           HAM      HEC 128  -0.317   1.572   0.736
  526    HHD  HEC 128           HBM      HEC 128   3.675   6.179   2.019
  527   1HMA  HEC 128          1HM       HEC 128   6.450  -1.972  -3.065
  528   2HMA  HEC 128          2HM       HEC 128   6.270  -1.026  -4.561
  529   3HMA  HEC 128          3HM       HEC 128   7.861  -1.151  -3.774
  530   1HAA  HEC 128          1HA       HEC 128   9.028   1.163  -3.608
  531   2HAA  HEC 128          2HA       HEC 128   9.166   2.196  -2.165
  532   1HBA  HEC 128          3HB       HEC 128   9.826   0.399  -0.774
  533   2HBA  HEC 128          4HB       HEC 128   9.012  -0.818  -1.786
  534   1HMB  HEC 128          1HM       HEC 128   2.079  -1.470  -4.009
  535   2HMB  HEC 128          2HM       HEC 128   1.639  -2.682  -2.783
  536   3HMB  HEC 128          3HM       HEC 128   0.376  -1.680  -3.536
  537    HAB  HEC 128           HT2      HEC 128  -1.351   0.188  -0.571
  538   1HBB  HEC 128          1HT       HEC 128  -0.323  -2.488   0.219
  539   2HBB  HEC 128          2HT       HEC 128  -0.515  -1.047   1.246
  540   3HBB  HEC 128          3HT       HEC 128  -1.944  -1.815   0.515
  541   1HMC  HEC 128          1HM       HEC 128  -1.165   3.858   3.307
  542   2HMC  HEC 128          2HM       HEC 128  -1.768   4.090   1.648
  543   3HMC  HEC 128          3HM       HEC 128  -1.303   2.466   2.205
  544    HAC  HEC 128           HT4      HEC 128   1.745   6.723   2.922
  545   1HBC  HEC 128          1HT       HEC 128   0.134   6.978   4.545
  546   2HBC  HEC 128          2HT       HEC 128  -1.138   6.212   3.563
  547   3HBC  HEC 128          3HT       HEC 128   0.078   5.206   4.386
  548   1HMD  HEC 128          1HM       HEC 128   6.259   7.135   2.825
  549   2HMD  HEC 128          2HM       HEC 128   6.768   7.964   1.335
  550   3HMD  HEC 128          3HM       HEC 128   5.039   7.843   1.740
  551   1HAD  HEC 128          1HA       HEC 128   8.548   6.511   1.242
  552   2HAD  HEC 128          2HA       HEC 128   9.058   4.908   0.661
  553   1HBD  HEC 128          3HB       HEC 128   9.497   5.668  -1.390
  554   2HBD  HEC 128          4HB       HEC 128   8.018   6.658  -1.446
  555    HHA  HEC 158           HGM      HEC 158  -3.740  -7.389  -7.154
  556    HHB  HEC 158           HDM      HEC 158  -2.982  -5.572 -13.078
  557    HHC  HEC 158           HAM      HEC 158  -0.612  -0.087 -10.979
  558    HHD  HEC 158           HBM      HEC 158  -1.017  -2.256  -5.152
  559   1HMA  HEC 158          1HM       HEC 158  -5.066  -8.695 -12.017
  560   2HMA  HEC 158          2HM       HEC 158  -5.346  -7.109 -12.774
  561   3HMA  HEC 158          3HM       HEC 158  -3.786  -7.935 -12.993
  562   1HAA  HEC 158          1HA       HEC 158  -5.181  -8.400  -8.090
  563   2HAA  HEC 158          2HA       HEC 158  -6.016  -8.670  -9.637
  564   1HBA  HEC 158          3HB       HEC 158  -3.416  -9.628 -10.144
  565   2HBA  HEC 158          4HB       HEC 158  -3.713 -10.140  -8.466
  566   1HMB  HEC 158          1HM       HEC 158  -1.527  -3.015 -15.426
  567   2HMB  HEC 158          2HM       HEC 158  -0.992  -4.577 -14.764
  568   3HMB  HEC 158          3HM       HEC 158  -2.729  -4.231 -14.933
  569    HAB  HEC 158           HT2      HEC 158   0.058  -0.430 -13.265
  570   1HBB  HEC 158          1HT       HEC 158  -2.164   0.799 -14.460
  571   2HBB  HEC 158          2HT       HEC 158  -2.554   0.313 -12.793
  572   3HBB  HEC 158          3HT       HEC 158  -1.117   1.312 -13.115
  573   1HMC  HEC 158          1HM       HEC 158   1.044   1.745  -8.326
  574   2HMC  HEC 158          2HM       HEC 158   0.740   1.201  -9.994
  575   3HMC  HEC 158          3HM       HEC 158  -0.530   2.061  -9.093
  576    HAC  HEC 158           HT4      HEC 158   0.710  -0.754  -5.279
  577   1HBC  HEC 158          1HT       HEC 158   0.195   2.135  -5.336
  578   2HBC  HEC 158          2HT       HEC 158  -1.289   1.178  -5.553
  579   3HBC  HEC 158          3HT       HEC 158  -0.265   0.919  -4.120
  580   1HMD  HEC 158          1HM       HEC 158  -2.591  -3.795  -2.890
  581   2HMD  HEC 158          2HM       HEC 158  -1.238  -4.950  -2.931
  582   3HMD  HEC 158          3HM       HEC 158  -0.982  -3.263  -3.435
  583   1HAD  HEC 158          1HA       HEC 158  -4.066  -5.969  -3.572
  584   2HAD  HEC 158          2HA       HEC 158  -4.208  -7.153  -4.893
  585   1HBD  HEC 158          3HB       HEC 158  -1.798  -7.794  -4.340
  586   2HBD  HEC 158          4HB       HEC 158  -2.035  -6.875  -2.834
  Start of MODEL    5
    1    H    ALA   1           HN       ALA   1   3.715  -9.291  10.533
    2    HA   ALA   1           HA       ALA   1   6.364  -9.131  10.035
    3   1HB   ALA   1          1HB       ALA   1   4.899 -10.446   8.657
    4   2HB   ALA   1          2HB       ALA   1   3.989  -9.006   8.143
    5   3HB   ALA   1          3HB       ALA   1   5.665  -9.242   7.594
    6    H    ASP   2           HN       ASP   2   7.834  -7.655   9.163
    7    HA   ASP   2           HA       ASP   2   7.094  -4.949   9.493
    8   1HB   ASP   2          2HB       ASP   2   9.496  -4.650   8.456
    9   2HB   ASP   2          3HB       ASP   2   9.334  -5.346  10.056
   10    H    VAL   3           HN       VAL   3   8.121  -7.086   6.732
   11    HA   VAL   3           HA       VAL   3   6.728  -5.248   4.926
   12    HB   VAL   3           HB       VAL   3   9.484  -6.438   4.552
   13   1HG1  VAL   3          1HG       VAL   3   9.512  -5.704   2.340
   14   2HG1  VAL   3          2HG       VAL   3   7.867  -6.362   2.513
   15   3HG1  VAL   3          3HG       VAL   3   8.134  -4.603   2.579
   16   1HG2  VAL   3          1HG       VAL   3   9.131  -3.550   4.180
   17   2HG2  VAL   3          2HG       VAL   3   8.752  -4.096   5.832
   18   3HG2  VAL   3          3HG       VAL   3  10.347  -4.446   5.123
   19    H    VAL   4           HN       VAL   4   5.258  -6.292   3.674
   20    HA   VAL   4           HA       VAL   4   5.574  -9.207   3.463
   21    HB   VAL   4           HB       VAL   4   3.129  -9.310   3.371
   22   1HG1  VAL   4          1HG       VAL   4   3.921  -9.756   5.514
   23   2HG1  VAL   4          2HG       VAL   4   4.485  -8.087   5.767
   24   3HG1  VAL   4          3HG       VAL   4   2.744  -8.453   5.803
   25   1HG2  VAL   4          1HG       VAL   4   3.333  -6.313   3.741
   26   2HG2  VAL   4          2HG       VAL   4   2.463  -7.222   2.482
   27   3HG2  VAL   4          3HG       VAL   4   1.866  -7.229   4.159
   28    H    THR   5           HN       THR   5   5.068 -10.181   1.428
   29    HA   THR   5           HA       THR   5   4.637  -8.297  -0.776
   30    HB   THR   5           HB       THR   5   6.913 -10.301  -0.413
   31    HG1  THR   5           HG1      THR   5   7.950  -8.343  -0.274
   32   1HG2  THR   5          1HG       THR   5   7.034  -8.820  -2.899
   33   2HG2  THR   5          2HG       THR   5   7.053 -10.585  -2.674
   34   3HG2  THR   5          3HG       THR   5   5.504  -9.729  -2.861
   35    H    TYR   6           HN       TYR   6   2.563  -8.894  -1.231
   36    HA   TYR   6           HA       TYR   6   1.721 -11.593  -1.143
   37   1HB   TYR   6          2HB       TYR   6   0.721  -9.015  -2.504
   38   2HB   TYR   6          3HB       TYR   6  -0.245 -10.474  -2.420
   39    HD1  TYR   6           HD1      TYR   6   1.179  -7.688  -0.468
   40    HD2  TYR   6           HD2      TYR   6  -1.326 -11.154  -0.354
   41    HE1  TYR   6           HE1      TYR   6   0.268  -6.965   1.794
   42    HE2  TYR   6           HE2      TYR   6  -2.228 -10.420   1.907
   43    HH   TYR   6           HH       TYR   6  -1.925  -9.053   3.604
   44    H    GLU   7           HN       GLU   7   2.947 -12.979  -2.444
   45    HA   GLU   7           HA       GLU   7   3.671 -12.250  -5.057
   46   1HB   GLU   7          2HB       GLU   7   3.606 -14.938  -3.623
   47   2HB   GLU   7          3HB       GLU   7   4.260 -14.728  -5.235
   48   1HG   GLU   7          2HG       GLU   7   6.162 -13.692  -4.474
   49   2HG   GLU   7          3HG       GLU   7   5.294 -12.752  -3.278
   50    H    ASN   8           HN       ASN   8   2.446 -12.259  -6.892
   51    HA   ASN   8           HA       ASN   8   0.146 -14.046  -6.886
   52   1HB   ASN   8          2HB       ASN   8  -1.087 -12.267  -8.201
   53   2HB   ASN   8          3HB       ASN   8  -0.707 -11.765  -6.565
   54   1HD2  ASN   8          1HD       ASN   8  -0.273  -9.699  -6.565
   55   2HD2  ASN   8          2HD       ASN   8   0.770  -8.844  -7.652
   56    H    LYS   9           HN       LYS   9  -0.732 -13.639  -9.519
   57    HA   LYS   9           HA       LYS   9   1.412 -14.833 -11.004
   58   1HB   LYS   9          2HB       LYS   9  -1.520 -14.421 -11.345
   59   2HB   LYS   9          3HB       LYS   9  -0.569 -14.577 -12.808
   60   1HG   LYS   9          2HG       LYS   9  -0.585 -16.825 -12.505
   61   2HG   LYS   9          3HG       LYS   9   0.443 -16.594 -11.104
   62   1HD   LYS   9          2HD       LYS   9  -1.233 -17.313  -9.763
   63   2HD   LYS   9          3HD       LYS   9  -2.207 -15.942 -10.254
   64   1HE   LYS   9          2HE       LYS   9  -2.023 -18.514 -11.887
   65   2HE   LYS   9          3HE       LYS   9  -3.255 -18.245 -10.671
   66   1HZ   LYS   9          1HZ       LYS   9  -2.808 -16.376 -12.887
   67   2HZ   LYS   9          2HZ       LYS   9  -3.854 -17.626 -12.986
   68   3HZ   LYS   9          3HZ       LYS   9  -4.095 -16.445 -11.884
   69    H    LYS  10           HN       LYS  10  -0.388 -11.717 -10.944
   70    HA   LYS  10           HA       LYS  10   1.184 -10.739 -13.166
   71   1HB   LYS  10          2HB       LYS  10  -1.080  -9.603 -11.516
   72   2HB   LYS  10          3HB       LYS  10  -0.190  -8.629 -12.669
   73   1HG   LYS  10          2HG       LYS  10  -1.079 -11.273 -13.719
   74   2HG   LYS  10          3HG       LYS  10  -2.387 -10.187 -13.294
   75   1HD   LYS  10          2HD       LYS  10  -0.274  -8.754 -14.737
   76   2HD   LYS  10          3HD       LYS  10  -0.831 -10.134 -15.662
   77   1HE   LYS  10          2HE       LYS  10  -3.252  -9.247 -15.007
   78   2HE   LYS  10          3HE       LYS  10  -2.417  -7.737 -14.700
   79   1HZ   LYS  10          1HZ       LYS  10  -2.848  -7.528 -16.887
   80   2HZ   LYS  10          2HZ       LYS  10  -1.410  -8.289 -17.030
   81   3HZ   LYS  10          3HZ       LYS  10  -2.800  -9.128 -17.206
   82    H    GLY  11           HN       GLY  11   2.946 -11.534 -11.249
   83   1HA   GLY  11          1HA       GLY  11   4.880 -10.536 -10.478
   84   2HA   GLY  11          2HA       GLY  11   4.079  -8.979 -10.419
   85    H    ASN  12           HN       ASN  12   3.980  -8.227  -8.350
   86    HA   ASN  12           HA       ASN  12   2.512  -9.522  -6.426
   87   1HB   ASN  12          2HB       ASN  12   4.177 -10.319  -4.839
   88   2HB   ASN  12          3HB       ASN  12   4.556 -11.057  -6.382
   89   1HD2  ASN  12          1HD       ASN  12   6.495 -10.800  -7.237
   90   2HD2  ASN  12          2HD       ASN  12   7.729  -9.717  -6.686
   91    H    VAL  13           HN       VAL  13   2.156  -8.020  -4.673
   92    HA   VAL  13           HA       VAL  13   3.357  -5.417  -5.099
   93    HB   VAL  13           HB       VAL  13   0.983  -5.502  -4.899
   94   1HG1  VAL  13          1HG       VAL  13   0.484  -7.512  -3.798
   95   2HG1  VAL  13          2HG       VAL  13   1.517  -7.116  -2.403
   96   3HG1  VAL  13          3HG       VAL  13  -0.023  -6.256  -2.643
   97   1HG2  VAL  13          1HG       VAL  13   2.638  -3.956  -3.211
   98   2HG2  VAL  13          2HG       VAL  13   0.985  -3.584  -3.760
   99   3HG2  VAL  13          3HG       VAL  13   1.241  -4.445  -2.223
  100    H    THR  14           HN       THR  14   5.076  -4.688  -3.962
  101    HA   THR  14           HA       THR  14   5.959  -6.285  -1.692
  102    HB   THR  14           HB       THR  14   7.187  -4.110  -3.452
  103    HG1  THR  14           HG1      THR  14   8.407  -5.993  -4.067
  104   1HG2  THR  14          1HG       THR  14   9.334  -4.939  -2.168
  105   2HG2  THR  14          2HG       THR  14   8.320  -3.699  -1.391
  106   3HG2  THR  14          3HG       THR  14   8.192  -5.400  -0.883
  107    H    PHE  15           HN       PHE  15   4.066  -5.629  -0.367
  108    HA   PHE  15           HA       PHE  15   3.567  -3.011   0.338
  109   1HB   PHE  15          2HB       PHE  15   3.093  -5.786   1.284
  110   2HB   PHE  15          3HB       PHE  15   3.194  -4.669   2.632
  111    HD1  PHE  15           HD1      PHE  15   1.311  -5.548  -0.395
  112    HD2  PHE  15           HD2      PHE  15   1.481  -3.021   3.009
  113    HE1  PHE  15           HE1      PHE  15  -1.072  -4.862  -0.786
  114    HE2  PHE  15           HE2      PHE  15  -0.902  -2.335   2.620
  115    HZ   PHE  15           HZ       PHE  15  -2.150  -3.264   0.728
  116    H    ASP  16           HN       ASP  16   3.873  -2.181   2.729
  117    HA   ASP  16           HA       ASP  16   6.465  -2.911   3.748
  118   1HB   ASP  16          2HB       ASP  16   5.701  -0.087   2.877
  119   2HB   ASP  16          3HB       ASP  16   7.067  -0.428   3.920
  120    H    HIS  17           HN       HIS  17   5.893  -3.343   5.889
  121    HA   HIS  17           HA       HIS  17   3.763  -1.752   7.063
  122   1HB   HIS  17          2HB       HIS  17   4.419  -4.468   7.149
  123   2HB   HIS  17          3HB       HIS  17   4.874  -3.868   8.730
  124    HD1  HIS  17           HD1      HIS  17   2.927  -5.042   9.954
  125    HD2  HIS  17           HD2      HIS  17   1.684  -2.406   6.938
  126    HE1  HIS  17           HE1      HIS  17   0.409  -4.755  10.250
  127    H    LYS  18           HN       LYS  18   7.173  -2.806   7.691
  128    HA   LYS  18           HA       LYS  18   7.343  -0.747   9.749
  129   1HB   LYS  18          2HB       LYS  18   8.288  -3.361   9.607
  130   2HB   LYS  18          3HB       LYS  18   9.717  -2.395   9.303
  131   1HG   LYS  18          2HG       LYS  18   8.505  -1.002  11.392
  132   2HG   LYS  18          3HG       LYS  18   8.118  -2.664  11.786
  133   1HD   LYS  18          2HD       LYS  18  10.271  -3.137  12.368
  134   2HD   LYS  18          3HD       LYS  18  10.910  -2.406  10.910
  135   1HE   LYS  18          2HE       LYS  18  10.481  -0.115  12.015
  136   2HE   LYS  18          3HE       LYS  18  10.154  -0.985  13.500
  137   1HZ   LYS  18          1HZ       LYS  18  12.382  -2.045  13.132
  138   2HZ   LYS  18          2HZ       LYS  18  12.661  -0.909  11.992
  139   3HZ   LYS  18          3HZ       LYS  18  12.401  -0.464  13.542
  140    H    ALA  19           HN       ALA  19   7.933  -1.262   6.406
  141    HA   ALA  19           HA       ALA  19  10.231   0.457   6.254
  142   1HB   ALA  19          1HB       ALA  19  10.425  -0.717   4.348
  143   2HB   ALA  19          2HB       ALA  19   8.802  -1.413   4.573
  144   3HB   ALA  19          3HB       ALA  19   8.996   0.135   3.715
  145    H    HIS  20           HN       HIS  20   6.719   0.731   6.261
  146    HA   HIS  20           HA       HIS  20   6.946   3.471   5.279
  147   1HB   HIS  20          2HB       HIS  20   4.622   1.554   5.520
  148   2HB   HIS  20          3HB       HIS  20   4.388   3.268   5.238
  149    HD1  HIS  20           HD1      HIS  20   7.405   2.002   3.543
  150    HD2  HIS  20           HD2      HIS  20   3.311   2.304   2.681
  151    HE1  HIS  20           HE1      HIS  20   7.181   1.692   1.020
  152    H    ALA  21           HN       ALA  21   5.333   1.525   7.895
  153    HA   ALA  21           HA       ALA  21   4.354   3.475   9.449
  154   1HB   ALA  21          1HB       ALA  21   4.939   1.935  11.385
  155   2HB   ALA  21          2HB       ALA  21   4.094   1.157  10.023
  156   3HB   ALA  21          3HB       ALA  21   5.850   0.944  10.220
  157    H    GLU  22           HN       GLU  22   7.810   2.448   9.239
  158    HA   GLU  22           HA       GLU  22   8.927   3.742  11.245
  159   1HB   GLU  22          2HB       GLU  22  10.886   4.212   9.662
  160   2HB   GLU  22          3HB       GLU  22  10.327   2.553   9.722
  161   1HG   GLU  22          2HG       GLU  22   9.667   2.576   7.538
  162   2HG   GLU  22          3HG       GLU  22   8.861   4.123   7.707
  163    H    LYS  23           HN       LYS  23   7.329   5.243   8.461
  164    HA   LYS  23           HA       LYS  23   8.031   7.868   9.581
  165   1HB   LYS  23          2HB       LYS  23   7.353   7.292   6.687
  166   2HB   LYS  23          3HB       LYS  23   7.940   8.795   7.369
  167   1HG   LYS  23          2HG       LYS  23   9.514   6.180   7.460
  168   2HG   LYS  23          3HG       LYS  23   9.711   7.381   6.198
  169   1HD   LYS  23          2HD       LYS  23   9.843   8.684   8.800
  170   2HD   LYS  23          3HD       LYS  23  10.957   7.332   8.771
  171   1HE   LYS  23          2HE       LYS  23  12.254   8.245   7.047
  172   2HE   LYS  23          3HE       LYS  23  10.911   9.133   6.356
  173   1HZ   LYS  23          1HZ       LYS  23  12.187  10.725   7.393
  174   2HZ   LYS  23          2HZ       LYS  23  11.014  10.461   8.498
  175   3HZ   LYS  23          3HZ       LYS  23  12.498   9.814   8.712
  176    H    LEU  24           HN       LEU  24   5.517   6.003   7.744
  177    HA   LEU  24           HA       LEU  24   3.456   7.749   7.926
  178   1HB   LEU  24          2HB       LEU  24   3.560   4.746   8.042
  179   2HB   LEU  24          3HB       LEU  24   2.034   5.608   8.083
  180    HG   LEU  24           HG       LEU  24   2.777   4.746   5.829
  181   1HD1  LEU  24          1HD       LEU  24   1.626   7.303   6.543
  182   2HD1  LEU  24          2HD       LEU  24   2.469   7.396   4.977
  183   3HD1  LEU  24          3HD       LEU  24   1.193   6.181   5.230
  184   1HD2  LEU  24          1HD       LEU  24   4.405   6.159   4.583
  185   2HD2  LEU  24          2HD       LEU  24   4.821   6.962   6.115
  186   3HD2  LEU  24          3HD       LEU  24   5.131   5.221   5.911
  187    H    GLY  25           HN       GLY  25   3.294   4.934  10.148
  188   1HA   GLY  25          1HA       GLY  25   3.631   5.461  12.571
  189   2HA   GLY  25          2HA       GLY  25   2.568   6.828  12.302
  190    H    CYS  26           HN       CYS  26   1.590   4.328  10.221
  191    HA   CYS  26           HA       CYS  26   0.138   2.640  10.386
  192   1HB   CYS  26          2HB       CYS  26  -0.529   3.196  13.255
  193   2HB   CYS  26          3HB       CYS  26  -0.619   1.690  12.365
  194    H    ASP  27           HN       ASP  27  -0.977   5.152  12.783
  195    HA   ASP  27           HA       ASP  27  -3.543   5.259  12.190
  196   1HB   ASP  27          2HB       ASP  27  -1.847   7.785  12.436
  197   2HB   ASP  27          3HB       ASP  27  -3.532   7.611  12.887
  198    H    ALA  28           HN       ALA  28  -0.831   6.316  10.160
  199    HA   ALA  28           HA       ALA  28  -2.006   8.118   8.469
  200   1HB   ALA  28          1HB       ALA  28  -0.345   7.138   6.779
  201   2HB   ALA  28          2HB       ALA  28   0.336   7.688   8.329
  202   3HB   ALA  28          3HB       ALA  28   0.077   5.952   8.038
  203    H    CYS  29           HN       CYS  29  -2.060   4.498   8.318
  204    HA   CYS  29           HA       CYS  29  -4.065   4.735   6.211
  205   1HB   CYS  29          2HB       CYS  29  -2.926   2.102   7.015
  206   2HB   CYS  29          3HB       CYS  29  -3.469   2.662   5.447
  207    H    HIS  30           HN       HIS  30  -3.294   3.039   9.332
  208    HA   HIS  30           HA       HIS  30  -6.049   2.243   9.594
  209   1HB   HIS  30          2HB       HIS  30  -3.803   1.885  11.588
  210   2HB   HIS  30          3HB       HIS  30  -5.319   1.010  11.517
  211    HD1  HIS  30           HD1      HIS  30  -5.495  -0.978   9.886
  212    HD2  HIS  30           HD2      HIS  30  -1.875   1.124   9.597
  213    HE1  HIS  30           HE1      HIS  30  -3.954  -2.404   8.436
  214    H    GLU  31           HN       GLU  31  -6.454   2.482  12.372
  215    HA   GLU  31           HA       GLU  31  -5.841   4.853  13.517
  216   1HB   GLU  31          2HB       GLU  31  -7.438   5.401  11.277
  217   2HB   GLU  31          3HB       GLU  31  -8.576   5.455  12.608
  218   1HG   GLU  31          2HG       GLU  31  -5.931   6.849  12.984
  219   2HG   GLU  31          3HG       GLU  31  -7.093   7.598  11.907
  220    H    GLY  32           HN       GLY  32  -5.998   3.724  15.452
  221   1HA   GLY  32          1HA       GLY  32  -7.084   3.043  17.320
  222   2HA   GLY  32          2HA       GLY  32  -8.624   3.341  16.540
  223    H    THR  33           HN       THR  33  -5.895   1.012  16.804
  224    HA   THR  33           HA       THR  33  -5.890  -1.219  16.763
  225    HB   THR  33           HB       THR  33  -8.918  -1.143  16.356
  226    HG1  THR  33           HG1      THR  33  -7.181  -0.892  18.711
  227   1HG2  THR  33          1HG       THR  33  -8.664  -3.390  16.707
  228   2HG2  THR  33          2HG       THR  33  -6.926  -3.192  17.031
  229   3HG2  THR  33          3HG       THR  33  -8.105  -2.989  18.348
  230    HA   PRO  34           HA       PRO  34  -5.657  -1.340  12.388
  231   1HB   PRO  34          2HB       PRO  34  -3.417  -2.900  12.253
  232   2HB   PRO  34          3HB       PRO  34  -3.363  -1.151  12.353
  233   1HG   PRO  34          2HG       PRO  34  -2.787  -3.146  14.457
  234   2HG   PRO  34          3HG       PRO  34  -2.339  -1.453  14.397
  235   1HD   PRO  34          2HD       PRO  34  -4.448  -2.617  15.955
  236   2HD   PRO  34          3HD       PRO  34  -4.074  -0.912  15.806
  237    H    ALA  35           HN       ALA  35  -5.620  -3.057  10.666
  238    HA   ALA  35           HA       ALA  35  -6.075  -5.707  11.453
  239   1HB   ALA  35          1HB       ALA  35  -8.653  -5.254  10.487
  240   2HB   ALA  35          2HB       ALA  35  -8.206  -5.564  12.182
  241   3HB   ALA  35          3HB       ALA  35  -8.375  -3.892  11.598
  242    H    LYS  36           HN       LYS  36  -7.345  -6.844   9.428
  243    HA   LYS  36           HA       LYS  36  -5.732  -6.125   7.184
  244   1HB   LYS  36          2HB       LYS  36  -6.394  -8.161   6.269
  245   2HB   LYS  36          3HB       LYS  36  -6.384  -8.477   7.992
  246   1HG   LYS  36          2HG       LYS  36  -8.472  -9.348   7.471
  247   2HG   LYS  36          3HG       LYS  36  -8.940  -7.697   7.830
  248   1HD   LYS  36          2HD       LYS  36  -9.975  -7.943   5.763
  249   2HD   LYS  36          3HD       LYS  36  -8.427  -7.316   5.232
  250   1HE   LYS  36          2HE       LYS  36  -8.704  -9.199   3.841
  251   2HE   LYS  36          3HE       LYS  36  -7.679  -9.830   5.116
  252   1HZ   LYS  36          1HZ       LYS  36  -9.758 -10.564   6.217
  253   2HZ   LYS  36          2HZ       LYS  36 -10.583 -10.157   4.868
  254   3HZ   LYS  36          3HZ       LYS  36  -9.442 -11.324   4.806
  255    H    ILE  37           HN       ILE  37  -6.219  -4.371   5.973
  256    HA   ILE  37           HA       ILE  37  -8.920  -3.438   5.821
  257    HB   ILE  37           HB       ILE  37  -6.422  -2.522   4.394
  258   1HG1  ILE  37          2HG       ILE  37  -7.657  -1.254   6.839
  259   2HG1  ILE  37          3HG       ILE  37  -6.458  -2.523   6.974
  260   1HG2  ILE  37          1HG       ILE  37  -8.269  -1.686   3.185
  261   2HG2  ILE  37          2HG       ILE  37  -9.178  -1.316   4.669
  262   3HG2  ILE  37          3HG       ILE  37  -7.739  -0.358   4.243
  263   1HD1  ILE  37          1HD       ILE  37  -6.004   0.254   6.520
  264   2HD1  ILE  37          2HD       ILE  37  -4.792  -1.049   6.561
  265   3HD1  ILE  37          3HD       ILE  37  -5.547  -0.585   5.018
  266    H    ALA  38           HN       ALA  38  -9.913  -2.934   3.605
  267    HA   ALA  38           HA       ALA  38  -9.944  -5.408   2.136
  268   1HB   ALA  38          1HB       ALA  38 -11.532  -2.842   2.177
  269   2HB   ALA  38          2HB       ALA  38 -11.690  -3.963   0.804
  270   3HB   ALA  38          3HB       ALA  38 -12.079  -4.514   2.450
  271    H    ILE  39           HN       ILE  39  -8.074  -5.690   0.937
  272    HA   ILE  39           HA       ILE  39  -7.496  -3.529  -0.968
  273    HB   ILE  39           HB       ILE  39  -5.635  -5.321   0.576
  274   1HG1  ILE  39          2HG       ILE  39  -6.519  -3.007   1.395
  275   2HG1  ILE  39          3HG       ILE  39  -4.821  -3.408   1.561
  276   1HG2  ILE  39          1HG       ILE  39  -4.378  -5.499  -1.262
  277   2HG2  ILE  39          2HG       ILE  39  -5.315  -4.265  -2.137
  278   3HG2  ILE  39          3HG       ILE  39  -4.014  -3.774  -1.025
  279   1HD1  ILE  39          1HD       ILE  39  -5.677  -1.097   0.432
  280   2HD1  ILE  39          2HD       ILE  39  -4.154  -1.885  -0.042
  281   3HD1  ILE  39          3HD       ILE  39  -5.620  -2.119  -1.024
  282    H    ASP  40           HN       ASP  40  -7.374  -4.083  -3.123
  283    HA   ASP  40           HA       ASP  40  -6.717  -6.450  -4.176
  284   1HB   ASP  40          2HB       ASP  40  -9.384  -6.575  -2.965
  285   2HB   ASP  40          3HB       ASP  40  -9.482  -6.864  -4.690
  286    H    LYS  41           HN       LYS  41  -7.891  -6.712  -6.518
  287    HA   LYS  41           HA       LYS  41  -7.468  -4.551  -8.015
  288   1HB   LYS  41          2HB       LYS  41  -8.379  -7.043  -8.497
  289   2HB   LYS  41          3HB       LYS  41  -9.856  -6.149  -8.794
  290   1HG   LYS  41          2HG       LYS  41  -8.029  -4.565 -10.121
  291   2HG   LYS  41          3HG       LYS  41  -7.294  -6.142 -10.325
  292   1HD   LYS  41          2HD       LYS  41  -8.866  -6.779 -11.841
  293   2HD   LYS  41          3HD       LYS  41 -10.181  -6.299 -10.785
  294   1HE   LYS  41          2HE       LYS  41  -9.603  -3.848 -11.488
  295   2HE   LYS  41          3HE       LYS  41  -8.656  -4.570 -12.773
  296   1HZ   LYS  41          1HZ       LYS  41 -11.376  -4.183 -12.720
  297   2HZ   LYS  41          2HZ       LYS  41 -10.505  -4.929 -13.883
  298   3HZ   LYS  41          3HZ       LYS  41 -11.159  -5.800 -12.666
  299    H    LYS  42           HN       LYS  42  -8.414  -2.609  -8.546
  300    HA   LYS  42           HA       LYS  42 -10.048  -1.065  -8.693
  301   1HB   LYS  42          2HB       LYS  42 -11.644  -3.178  -8.292
  302   2HB   LYS  42          3HB       LYS  42 -11.891  -2.384  -6.749
  303   1HG   LYS  42          2HG       LYS  42 -12.788  -0.426  -7.743
  304   2HG   LYS  42          3HG       LYS  42 -12.039  -0.747  -9.295
  305   1HD   LYS  42          2HD       LYS  42 -14.022  -1.636  -9.954
  306   2HD   LYS  42          3HD       LYS  42 -13.673  -2.994  -8.903
  307   1HE   LYS  42          2HE       LYS  42 -15.211  -2.341  -7.332
  308   2HE   LYS  42          3HE       LYS  42 -14.758  -0.652  -7.445
  309   1HZ   LYS  42          1HZ       LYS  42 -16.471  -2.107  -9.339
  310   2HZ   LYS  42          2HZ       LYS  42 -16.951  -0.963  -8.277
  311   3HZ   LYS  42          3HZ       LYS  42 -15.992  -0.558  -9.535
  312    H    SER  43           HN       SER  43 -10.434  -2.380  -5.331
  313    HA   SER  43           HA       SER  43 -10.337   0.053  -4.120
  314   1HB   SER  43          2HB       SER  43  -9.797  -2.772  -3.252
  315   2HB   SER  43          3HB       SER  43  -9.323  -1.495  -2.150
  316    HG   SER  43           HG       SER  43 -11.895  -1.171  -3.244
  317    H    ALA  44           HN       ALA  44  -7.616  -2.369  -4.308
  318    HA   ALA  44           HA       ALA  44  -5.668  -0.676  -3.294
  319   1HB   ALA  44          1HB       ALA  44  -5.794  -3.285  -3.911
  320   2HB   ALA  44          2HB       ALA  44  -4.947  -2.713  -5.369
  321   3HB   ALA  44          3HB       ALA  44  -4.244  -2.424  -3.760
  322    H    HIS  45           HN       HIS  45  -7.373  -0.599  -6.310
  323    HA   HIS  45           HA       HIS  45  -5.234   0.961  -7.537
  324   1HB   HIS  45          2HB       HIS  45  -7.640  -0.499  -8.606
  325   2HB   HIS  45          3HB       HIS  45  -6.887   0.772  -9.549
  326    HD1  HIS  45           HD1      HIS  45  -6.457  -1.391 -11.202
  327    HD2  HIS  45           HD2      HIS  45  -4.182  -1.178  -7.684
  328    HE1  HIS  45           HE1      HIS  45  -4.472  -2.958 -11.538
  329    H    LYS  46           HN       LYS  46  -7.717   1.450  -5.427
  330    HA   LYS  46           HA       LYS  46  -8.534   3.962  -6.702
  331   1HB   LYS  46          2HB       LYS  46 -10.121   1.969  -5.726
  332   2HB   LYS  46          3HB       LYS  46  -9.993   2.997  -4.314
  333   1HG   LYS  46          2HG       LYS  46 -10.445   4.932  -6.150
  334   2HG   LYS  46          3HG       LYS  46 -11.204   3.602  -7.003
  335   1HD   LYS  46          2HD       LYS  46 -13.049   4.022  -5.737
  336   2HD   LYS  46          3HD       LYS  46 -12.181   3.271  -4.412
  337   1HE   LYS  46          2HE       LYS  46 -11.599   5.319  -3.437
  338   2HE   LYS  46          3HE       LYS  46 -11.610   6.178  -4.964
  339   1HZ   LYS  46          1HZ       LYS  46 -14.079   5.755  -4.934
  340   2HZ   LYS  46          2HZ       LYS  46 -13.911   5.349  -3.362
  341   3HZ   LYS  46          3HZ       LYS  46 -13.514   6.850  -3.864
  342    H    ASP  47           HN       ASP  47  -9.475   5.015  -4.080
  343    HA   ASP  47           HA       ASP  47  -7.307   6.502  -3.438
  344   1HB   ASP  47          2HB       ASP  47  -9.842   5.732  -2.000
  345   2HB   ASP  47          3HB       ASP  47  -8.617   6.579  -1.077
  346    H    ALA  48           HN       ALA  48  -8.141   3.199  -2.556
  347    HA   ALA  48           HA       ALA  48  -7.058   2.745  -0.145
  348   1HB   ALA  48          1HB       ALA  48  -6.802   0.501  -0.838
  349   2HB   ALA  48          2HB       ALA  48  -8.064   1.141  -1.916
  350   3HB   ALA  48          3HB       ALA  48  -6.394   0.968  -2.507
  351    H    CYS  49           HN       CYS  49  -5.173   2.785  -3.257
  352    HA   CYS  49           HA       CYS  49  -2.792   3.216  -1.611
  353   1HB   CYS  49          2HB       CYS  49  -3.319   1.640  -4.034
  354   2HB   CYS  49          3HB       CYS  49  -1.877   2.631  -4.137
  355    H    LYS  50           HN       LYS  50  -4.194   4.020  -4.883
  356    HA   LYS  50           HA       LYS  50  -2.600   6.225  -5.357
  357   1HB   LYS  50          2HB       LYS  50  -5.396   5.559  -6.319
  358   2HB   LYS  50          3HB       LYS  50  -4.425   6.869  -6.961
  359   1HG   LYS  50          2HG       LYS  50  -2.584   5.121  -7.413
  360   2HG   LYS  50          3HG       LYS  50  -3.770   3.891  -7.023
  361   1HD   LYS  50          2HD       LYS  50  -4.573   4.006  -9.137
  362   2HD   LYS  50          3HD       LYS  50  -5.052   5.669  -8.857
  363   1HE   LYS  50          2HE       LYS  50  -2.349   5.997  -9.270
  364   2HE   LYS  50          3HE       LYS  50  -2.654   4.600 -10.283
  365   1HZ   LYS  50          1HZ       LYS  50  -3.017   6.958 -11.196
  366   2HZ   LYS  50          2HZ       LYS  50  -4.079   5.779 -11.590
  367   3HZ   LYS  50          3HZ       LYS  50  -4.463   6.873 -10.440
  368    H    THR  51           HN       THR  51  -2.286   7.706  -3.727
  369    HA   THR  51           HA       THR  51  -3.984   9.783  -3.364
  370    HB   THR  51           HB       THR  51  -4.781   7.382  -1.761
  371    HG1  THR  51           HG1      THR  51  -5.881   9.965  -2.624
  372   1HG2  THR  51          1HG       THR  51  -5.806   9.141  -0.083
  373   2HG2  THR  51          2HG       THR  51  -4.131   8.600   0.184
  374   3HG2  THR  51          3HG       THR  51  -4.447  10.172  -0.591
  375    H    CYS  52           HN       CYS  52  -2.451   7.742  -0.792
  376    HA   CYS  52           HA       CYS  52  -1.006   9.989   0.139
  377   1HB   CYS  52          2HB       CYS  52  -1.524   8.510   1.822
  378   2HB   CYS  52          3HB       CYS  52  -1.173   7.093   0.852
  379    H    HIS  53           HN       HIS  53  -0.678   7.940  -2.550
  380    HA   HIS  53           HA       HIS  53   2.232   8.067  -2.508
  381   1HB   HIS  53          2HB       HIS  53   0.213   6.305  -3.736
  382   2HB   HIS  53          3HB       HIS  53   1.534   6.730  -4.806
  383    HD1  HIS  53           HD1      HIS  53   2.588   4.372  -4.762
  384    HD2  HIS  53           HD2      HIS  53   2.247   6.145  -0.975
  385    HE1  HIS  53           HE1      HIS  53   3.961   2.927  -3.170
  386    H    LYS  54           HN       LYS  54   0.466  10.460  -2.823
  387    HA   LYS  54           HA       LYS  54   1.109  11.141  -5.602
  388   1HB   LYS  54          2HB       LYS  54  -0.929  12.332  -3.698
  389   2HB   LYS  54          3HB       LYS  54  -0.574  12.957  -5.296
  390   1HG   LYS  54          2HG       LYS  54  -1.068  10.533  -6.148
  391   2HG   LYS  54          3HG       LYS  54  -1.783  10.262  -4.571
  392   1HD   LYS  54          2HD       LYS  54  -3.682  11.323  -5.208
  393   2HD   LYS  54          3HD       LYS  54  -2.781  12.781  -5.572
  394   1HE   LYS  54          2HE       LYS  54  -2.181  11.021  -7.712
  395   2HE   LYS  54          3HE       LYS  54  -3.891  10.783  -7.412
  396   1HZ   LYS  54          1HZ       LYS  54  -3.465  12.597  -8.933
  397   2HZ   LYS  54          2HZ       LYS  54  -4.212  13.141  -7.587
  398   3HZ   LYS  54          3HZ       LYS  54  -2.614  13.402  -7.796
  399    H    SER  55           HN       SER  55   1.154  12.397  -2.201
  400    HA   SER  55           HA       SER  55   2.916  14.492  -3.012
  401   1HB   SER  55          2HB       SER  55   1.076  14.528  -1.145
  402   2HB   SER  55          3HB       SER  55   2.275  13.734  -0.144
  403    HG   SER  55           HG       SER  55   2.043  16.339  -0.541
  404    H    ASN  56           HN       ASN  56   4.205  12.250  -3.791
  405    HA   ASN  56           HA       ASN  56   6.594  12.374  -2.470
  406   1HB   ASN  56          2HB       ASN  56   4.913  10.910  -0.868
  407   2HB   ASN  56          3HB       ASN  56   5.509   9.625  -1.899
  408   1HD2  ASN  56          1HD       ASN  56   6.306  12.060   0.458
  409   2HD2  ASN  56          2HD       ASN  56   7.891  11.500   0.876
  410    H    ASN  57           HN       ASN  57   7.530   9.651  -2.923
  411    HA   ASN  57           HA       ASN  57   7.885   9.707  -5.651
  412   1HB   ASN  57          2HB       ASN  57   8.161   7.393  -3.662
  413   2HB   ASN  57          3HB       ASN  57   8.765   7.330  -5.306
  414   1HD2  ASN  57          1HD       ASN  57  10.527   6.926  -3.381
  415   2HD2  ASN  57          2HD       ASN  57  11.597   8.268  -3.155
  416    H    GLY  58           HN       GLY  58   6.225   7.089  -3.720
  417   1HA   GLY  58          1HA       GLY  58   4.684   5.559  -4.392
  418   2HA   GLY  58          2HA       GLY  58   3.754   7.008  -4.720
  419    HA   PRO  59           HA       PRO  59   5.615   5.327  -8.774
  420   1HB   PRO  59          2HB       PRO  59   6.249   2.669  -8.826
  421   2HB   PRO  59          3HB       PRO  59   7.438   3.934  -8.583
  422   1HG   PRO  59          2HG       PRO  59   6.283   2.070  -6.600
  423   2HG   PRO  59          3HG       PRO  59   7.745   3.030  -6.484
  424   1HD   PRO  59          2HD       PRO  59   5.226   3.577  -5.224
  425   2HD   PRO  59          3HD       PRO  59   6.652   4.596  -5.202
  426    H    THR  60           HN       THR  60   3.137   5.804  -8.296
  427    HA   THR  60           HA       THR  60   1.590   3.411  -8.849
  428    HB   THR  60           HB       THR  60   0.857   5.120  -7.164
  429    HG1  THR  60           HG1      THR  60  -0.638   5.030  -9.691
  430   1HG2  THR  60          1HG       THR  60   0.037   7.302  -7.923
  431   2HG2  THR  60          2HG       THR  60   1.740   7.160  -8.420
  432   3HG2  THR  60          3HG       THR  60   0.441   6.911  -9.612
  433    H    LYS  61           HN       LYS  61   3.414   3.810 -10.896
  434    HA   LYS  61           HA       LYS  61   1.677   4.874 -13.014
  435   1HB   LYS  61          2HB       LYS  61   3.636   5.470 -14.253
  436   2HB   LYS  61          3HB       LYS  61   3.779   6.152 -12.647
  437   1HG   LYS  61          2HG       LYS  61   5.130   4.042 -12.012
  438   2HG   LYS  61          3HG       LYS  61   5.169   3.662 -13.723
  439   1HD   LYS  61          2HD       LYS  61   7.061   4.941 -13.767
  440   2HD   LYS  61          3HD       LYS  61   5.962   6.305 -13.771
  441   1HE   LYS  61          2HE       LYS  61   6.094   5.715 -11.061
  442   2HE   LYS  61          3HE       LYS  61   7.711   5.292 -11.587
  443   1HZ   LYS  61          1HZ       LYS  61   7.066   7.724 -10.978
  444   2HZ   LYS  61          2HZ       LYS  61   8.153   7.416 -12.157
  445   3HZ   LYS  61          3HZ       LYS  61   6.612   7.794 -12.544
  446    H    CYS  62           HN       CYS  62   1.577   2.196 -11.717
  447    HA   CYS  62           HA       CYS  62   1.000   0.222 -12.608
  448   1HB   CYS  62          2HB       CYS  62   1.276   1.537 -14.936
  449   2HB   CYS  62          3HB       CYS  62   2.638   0.444 -15.077
  450    H    GLY  63           HN       GLY  63   4.261   0.868 -14.087
  451   1HA   GLY  63          1HA       GLY  63   5.389  -1.505 -13.007
  452   2HA   GLY  63          2HA       GLY  63   6.228  -0.203 -13.827
  453    H    GLY  64           HN       GLY  64   4.520  -0.840 -10.678
  454   1HA   GLY  64          1HA       GLY  64   6.813   0.379  -9.295
  455   2HA   GLY  64          2HA       GLY  64   5.199   0.988  -8.987
  456    H    CYS  65           HN       CYS  65   3.592  -1.280  -8.965
  457    HA   CYS  65           HA       CYS  65   4.644  -2.620  -6.605
  458   1HB   CYS  65          2HB       CYS  65   1.895  -3.253  -7.276
  459   2HB   CYS  65          3HB       CYS  65   2.578  -2.614  -5.794
  460    H    HIS  66           HN       HIS  66   3.159  -3.166  -9.859
  461    HA   HIS  66           HA       HIS  66   3.622  -6.007  -9.613
  462   1HB   HIS  66          2HB       HIS  66   2.394  -4.317 -11.808
  463   2HB   HIS  66          3HB       HIS  66   2.560  -6.061 -11.883
  464    HD1  HIS  66           HD1      HIS  66   0.673  -7.410 -10.915
  465    HD2  HIS  66           HD2      HIS  66   0.685  -3.453  -9.525
  466    HE1  HIS  66           HE1      HIS  66  -1.457  -7.129  -9.538
  467    H    ILE  67           HN       ILE  67   5.730  -6.625  -9.813
  468    HA   ILE  67           HA       ILE  67   7.314  -5.272 -11.871
  469    HB   ILE  67           HB       ILE  67   8.104  -6.892  -9.449
  470   1HG1  ILE  67          2HG       ILE  67   8.886  -4.041  -9.947
  471   2HG1  ILE  67          3HG       ILE  67   7.265  -4.383  -9.378
  472   1HG2  ILE  67          1HG       ILE  67  10.386  -6.586 -10.025
  473   2HG2  ILE  67          2HG       ILE  67   9.579  -7.257 -11.462
  474   3HG2  ILE  67          3HG       ILE  67   9.974  -5.524 -11.393
  475   1HD1  ILE  67          1HD       ILE  67   9.695  -5.599  -8.015
  476   2HD1  ILE  67          2HD       ILE  67   9.090  -3.982  -7.584
  477   3HD1  ILE  67          3HD       ILE  67   8.048  -5.408  -7.370
  478    H    LYS  68           HN       LYS  68   6.770  -6.293 -13.782
  479    HA   LYS  68           HA       LYS  68   6.257  -9.046 -13.950
  480   1HB   LYS  68          2HB       LYS  68   5.951  -6.849 -15.585
  481   2HB   LYS  68          3HB       LYS  68   7.235  -7.726 -16.393
  482   1HG   LYS  68          2HG       LYS  68   4.988  -9.433 -15.424
  483   2HG   LYS  68          3HG       LYS  68   4.544  -8.283 -16.670
  484   1HD   LYS  68          2HD       LYS  68   5.784  -9.348 -18.293
  485   2HD   LYS  68          3HD       LYS  68   7.098  -9.720 -17.195
  486   1HE   LYS  68          2HE       LYS  68   6.336 -11.851 -17.039
  487   2HE   LYS  68          3HE       LYS  68   4.873 -11.256 -16.279
  488   1HZ   LYS  68          1HZ       LYS  68   3.808 -11.142 -18.317
  489   2HZ   LYS  68          2HZ       LYS  68   5.187 -11.217 -19.188
  490   3HZ   LYS  68          3HZ       LYS  68   4.640 -12.544 -18.410
  491    HHA  HEC  98           HGM      HEC  98  -3.882  -5.423   7.453
  492    HHB  HEC  98           HDM      HEC  98  -1.051  -3.465  12.661
  493    HHC  HEC  98           HAM      HEC  98   1.661   1.177   9.313
  494    HHD  HEC  98           HBM      HEC  98  -1.608  -0.643   4.330
  495   1HMA  HEC  98          1HM       HEC  98  -2.258  -5.276  13.199
  496   2HMA  HEC  98          2HM       HEC  98  -3.123  -6.659  12.486
  497   3HMA  HEC  98          3HM       HEC  98  -1.345  -6.598  12.435
  498   1HAA  HEC  98          1HA       HEC  98  -3.727  -7.575  10.497
  499   2HAA  HEC  98          2HA       HEC  98  -4.593  -6.721   9.199
  500   1HBA  HEC  98          3HB       HEC  98  -3.556  -8.220   7.775
  501   2HBA  HEC  98          4HB       HEC  98  -2.102  -7.225   8.019
  502   1HMB  HEC  98          1HM       HEC  98  -0.056  -2.428  14.049
  503   2HMB  HEC  98          2HM       HEC  98   1.244  -1.235  14.265
  504   3HMB  HEC  98          3HM       HEC  98  -0.454  -0.704  14.234
  505    HAB  HEC  98           HT2      HEC  98   2.284   1.419  11.208
  506   1HBB  HEC  98          1HT       HEC  98   3.995   1.054  12.901
  507   2HBB  HEC  98          2HT       HEC  98   3.310  -0.570  13.156
  508   3HBB  HEC  98          3HT       HEC  98   3.938  -0.110  11.555
  509   1HMC  HEC  98          1HM       HEC  98   1.847   2.843   8.155
  510   2HMC  HEC  98          2HM       HEC  98   2.814   2.225   6.796
  511   3HMC  HEC  98          3HM       HEC  98   1.503   3.389   6.497
  512    HAC  HEC  98           HT4      HEC  98  -1.295   2.137   4.547
  513   1HBC  HEC  98          1HT       HEC  98   0.318   1.855   2.472
  514   2HBC  HEC  98          2HT       HEC  98   1.024   0.548   3.452
  515   3HBC  HEC  98          3HT       HEC  98  -0.699   0.495   3.007
  516   1HMD  HEC  98          1HM       HEC  98  -3.082  -3.100   2.484
  517   2HMD  HEC  98          2HM       HEC  98  -4.323  -1.958   3.052
  518   3HMD  HEC  98          3HM       HEC  98  -2.638  -1.418   2.865
  519   1HAD  HEC  98          1HA       HEC  98  -4.529  -5.652   5.287
  520   2HAD  HEC  98          2HA       HEC  98  -4.903  -4.578   3.918
  521   1HBD  HEC  98          3HB       HEC  98  -2.550  -5.150   3.075
  522   2HBD  HEC  98          4HB       HEC  98  -2.603  -6.484   4.253
  523    HHA  HEC 128           HGM      HEC 128   8.365   3.856  -0.830
  524    HHB  HEC 128           HDM      HEC 128   4.481  -0.305  -3.396
  525    HHC  HEC 128           HAM      HEC 128  -0.171   1.941   0.267
  526    HHD  HEC 128           HBM      HEC 128   3.732   6.317   2.373
  527   1HMA  HEC 128          1HM       HEC 128   8.208  -0.211  -4.135
  528   2HMA  HEC 128          2HM       HEC 128   7.455  -1.343  -2.988
  529   3HMA  HEC 128          3HM       HEC 128   6.488  -0.635  -4.303
  530   1HAA  HEC 128          1HA       HEC 128   9.609   1.276  -3.052
  531   2HAA  HEC 128          2HA       HEC 128   9.518   2.761  -2.075
  532   1HBA  HEC 128          3HB       HEC 128   9.211   0.855  -0.100
  533   2HBA  HEC 128          4HB       HEC 128  10.253  -0.034  -1.237
  534   1HMB  HEC 128          1HM       HEC 128   0.991  -1.589  -3.688
  535   2HMB  HEC 128          2HM       HEC 128   1.858  -0.388  -4.674
  536   3HMB  HEC 128          3HM       HEC 128   2.769  -1.625  -3.775
  537    HAB  HEC 128           HT2      HEC 128  -1.093   0.722  -1.307
  538   1HBB  HEC 128          1HT       HEC 128  -0.673  -0.554   0.528
  539   2HBB  HEC 128          2HT       HEC 128  -1.771  -1.484  -0.519
  540   3HBB  HEC 128          3HT       HEC 128  -0.045  -1.910  -0.437
  541   1HMC  HEC 128          1HM       HEC 128  -1.673   4.400   1.277
  542   2HMC  HEC 128          2HM       HEC 128  -1.288   2.716   1.706
  543   3HMC  HEC 128          3HM       HEC 128  -1.239   3.986   2.952
  544    HAC  HEC 128           HT4      HEC 128   1.637   6.672   3.369
  545   1HBC  HEC 128          1HT       HEC 128  -0.569   7.171   4.156
  546   2HBC  HEC 128          2HT       HEC 128  -1.327   6.208   2.864
  547   3HBC  HEC 128          3HT       HEC 128  -0.428   5.396   4.169
  548   1HMD  HEC 128          1HM       HEC 128   5.065   7.768   2.672
  549   2HMD  HEC 128          2HM       HEC 128   6.572   7.192   3.423
  550   3HMD  HEC 128          3HM       HEC 128   6.638   8.232   1.980
  551   1HAD  HEC 128          1HA       HEC 128   9.248   5.416   0.548
  552   2HAD  HEC 128          2HA       HEC 128   8.709   7.023   1.092
  553   1HBD  HEC 128          3HB       HEC 128   8.682   6.373   3.341
  554   2HBD  HEC 128          4HB       HEC 128   8.745   4.641   2.933
  555    HHA  HEC 158           HGM      HEC 158  -3.979  -7.246  -6.871
  556    HHB  HEC 158           HDM      HEC 158  -3.190  -6.002 -12.937
  557    HHC  HEC 158           HAM      HEC 158  -0.855  -0.330 -11.359
  558    HHD  HEC 158           HBM      HEC 158  -1.287  -1.932  -5.354
  559   1HMA  HEC 158          1HM       HEC 158  -4.114  -8.021 -12.798
  560   2HMA  HEC 158          2HM       HEC 158  -4.907  -9.145 -11.669
  561   3HMA  HEC 158          3HM       HEC 158  -5.782  -7.714 -12.258
  562   1HAA  HEC 158          1HA       HEC 158  -5.366  -8.370  -7.704
  563   2HAA  HEC 158          2HA       HEC 158  -6.252  -8.738  -9.202
  564   1HBA  HEC 158          3HB       HEC 158  -3.888  -9.884  -9.876
  565   2HBA  HEC 158          4HB       HEC 158  -3.723 -10.007  -8.109
  566   1HMB  HEC 158          1HM       HEC 158  -2.187  -3.683 -15.517
  567   2HMB  HEC 158          2HM       HEC 158  -0.968  -4.813 -14.882
  568   3HMB  HEC 158          3HM       HEC 158  -2.700  -5.189 -14.720
  569    HAB  HEC 158           HT2      HEC 158  -0.052  -1.122 -13.820
  570   1HBB  HEC 158          1HT       HEC 158  -2.038   0.620 -14.504
  571   2HBB  HEC 158          2HT       HEC 158  -2.455   0.035 -12.876
  572   3HBB  HEC 158          3HT       HEC 158  -0.846   0.729 -13.188
  573   1HMC  HEC 158          1HM       HEC 158   1.110   1.219  -9.666
  574   2HMC  HEC 158          2HM       HEC 158  -0.445   1.428 -10.504
  575   3HMC  HEC 158          3HM       HEC 158  -0.197   2.149  -8.897
  576    HAC  HEC 158           HT4      HEC 158  -0.192  -0.023  -5.442
  577   1HBC  HEC 158          1HT       HEC 158   1.013   2.270  -6.979
  578   2HBC  HEC 158          2HT       HEC 158  -0.757   2.192  -6.800
  579   3HBC  HEC 158          3HT       HEC 158   0.282   2.246  -5.356
  580   1HMD  HEC 158          1HM       HEC 158  -2.698  -3.966  -2.747
  581   2HMD  HEC 158          2HM       HEC 158  -0.973  -3.953  -3.187
  582   3HMD  HEC 158          3HM       HEC 158  -1.972  -2.507  -3.466
  583   1HAD  HEC 158          1HA       HEC 158  -4.032  -5.517  -3.268
  584   2HAD  HEC 158          2HA       HEC 158  -4.684  -6.538  -4.571
  585   1HBD  HEC 158          3HB       HEC 158  -2.035  -6.862  -3.157
  586   2HBD  HEC 158          4HB       HEC 158  -3.472  -7.904  -3.018
  Start of MODEL    6
    1    H    ALA   1           HN       ALA   1   5.936  -5.621  13.180
    2    HA   ALA   1           HA       ALA   1   5.006  -7.032  11.534
    3   1HB   ALA   1          1HB       ALA   1   3.052  -5.788  10.976
    4   2HB   ALA   1          2HB       ALA   1   4.004  -4.384  10.437
    5   3HB   ALA   1          3HB       ALA   1   4.000  -5.882   9.474
    6    H    ASP   2           HN       ASP   2   5.617  -6.754   8.840
    7    HA   ASP   2           HA       ASP   2   7.973  -5.283   8.458
    8   1HB   ASP   2          2HB       ASP   2   8.514  -8.244   8.323
    9   2HB   ASP   2          3HB       ASP   2   9.645  -6.927   8.557
   10    H    VAL   3           HN       VAL   3   6.510  -4.771   6.606
   11    HA   VAL   3           HA       VAL   3   5.837  -4.960   4.511
   12    HB   VAL   3           HB       VAL   3   7.777  -7.279   4.406
   13   1HG1  VAL   3          1HG       VAL   3   6.517  -5.643   2.178
   14   2HG1  VAL   3          2HG       VAL   3   7.830  -6.826   1.968
   15   3HG1  VAL   3          3HG       VAL   3   6.230  -7.364   2.531
   16   1HG2  VAL   3          1HG       VAL   3   8.178  -4.419   4.626
   17   2HG2  VAL   3          2HG       VAL   3   9.373  -5.738   4.637
   18   3HG2  VAL   3          3HG       VAL   3   8.842  -5.031   3.092
   19    H    VAL   4           HN       VAL   4   4.497  -6.331   2.991
   20    HA   VAL   4           HA       VAL   4   3.414  -8.716   4.253
   21    HB   VAL   4           HB       VAL   4   1.780  -6.276   3.533
   22   1HG1  VAL   4          1HG       VAL   4   0.186  -8.236   4.819
   23   2HG1  VAL   4          2HG       VAL   4   0.057  -7.637   3.148
   24   3HG1  VAL   4          3HG       VAL   4   1.061  -9.062   3.507
   25   1HG2  VAL   4          1HG       VAL   4   2.664  -5.900   5.677
   26   2HG2  VAL   4          2HG       VAL   4   1.050  -6.587   5.985
   27   3HG2  VAL   4          3HG       VAL   4   2.499  -7.609   6.147
   28    H    THR   5           HN       THR   5   5.040  -9.085   2.254
   29    HA   THR   5           HA       THR   5   4.442  -8.566  -0.321
   30    HB   THR   5           HB       THR   5   6.298 -10.036   0.853
   31    HG1  THR   5           HG1      THR   5   5.769  -9.501  -1.533
   32   1HG2  THR   5          1HG       THR   5   4.838 -11.879   1.653
   33   2HG2  THR   5          2HG       THR   5   4.216 -12.118   0.002
   34   3HG2  THR   5          3HG       THR   5   5.919 -12.479   0.373
   35    H    TYR   6           HN       TYR   6   3.398  -9.847  -2.055
   36    HA   TYR   6           HA       TYR   6   1.107 -11.393  -1.124
   37   1HB   TYR   6          2HB       TYR   6   1.206  -8.643  -2.254
   38   2HB   TYR   6          3HB       TYR   6   0.227  -9.698  -3.252
   39    HD1  TYR   6           HD1      TYR   6   0.468  -7.946  -0.058
   40    HD2  TYR   6           HD2      TYR   6  -1.826 -10.753  -2.330
   41    HE1  TYR   6           HE1      TYR   6  -1.494  -7.639   1.528
   42    HE2  TYR   6           HE2      TYR   6  -3.780 -10.436  -0.736
   43    HH   TYR   6           HH       TYR   6  -4.617  -8.930   0.803
   44    H    GLU   7           HN       GLU   7   1.371 -13.306  -2.170
   45    HA   GLU   7           HA       GLU   7   2.882 -13.524  -4.494
   46   1HB   GLU   7          2HB       GLU   7   0.856 -15.428  -3.242
   47   2HB   GLU   7          3HB       GLU   7   1.926 -15.870  -4.558
   48   1HG   GLU   7          2HG       GLU   7   3.702 -16.138  -3.160
   49   2HG   GLU   7          3HG       GLU   7   3.424 -14.592  -2.383
   50    H    ASN   8           HN       ASN   8   2.368 -13.297  -6.644
   51    HA   ASN   8           HA       ASN   8  -0.446 -13.388  -7.326
   52   1HB   ASN   8          2HB       ASN   8   1.478 -11.082  -7.786
   53   2HB   ASN   8          3HB       ASN   8   0.204 -11.369  -8.956
   54   1HD2  ASN   8          1HD       ASN   8   1.023  -9.717  -6.252
   55   2HD2  ASN   8          2HD       ASN   8  -0.533  -9.364  -5.579
   56    H    LYS   9           HN       LYS   9  -0.398 -12.998 -10.019
   57    HA   LYS   9           HA       LYS   9   1.414 -15.076 -10.933
   58   1HB   LYS   9          2HB       LYS   9  -1.045 -15.169 -11.388
   59   2HB   LYS   9          3HB       LYS   9  -0.887 -13.734 -12.380
   60   1HG   LYS   9          2HG       LYS   9   0.956 -16.062 -12.933
   61   2HG   LYS   9          3HG       LYS   9  -0.715 -16.188 -13.445
   62   1HD   LYS   9          2HD       LYS   9  -0.506 -14.521 -15.047
   63   2HD   LYS   9          3HD       LYS   9   0.664 -13.612 -14.111
   64   1HE   LYS   9          2HE       LYS   9   2.465 -15.130 -14.716
   65   2HE   LYS   9          3HE       LYS   9   1.343 -16.293 -15.396
   66   1HZ   LYS   9          1HZ       LYS   9   1.679 -13.566 -16.437
   67   2HZ   LYS   9          2HZ       LYS   9   2.445 -14.874 -17.044
   68   3HZ   LYS   9          3HZ       LYS   9   0.817 -14.774 -17.119
   69    H    LYS  10           HN       LYS  10   0.678 -11.595 -11.361
   70    HA   LYS  10           HA       LYS  10   2.909 -11.429 -13.246
   71   1HB   LYS  10          2HB       LYS  10   0.587  -9.586 -12.645
   72   2HB   LYS  10          3HB       LYS  10   1.963  -9.089 -13.608
   73   1HG   LYS  10          2HG       LYS  10   1.335 -11.535 -14.762
   74   2HG   LYS  10          3HG       LYS  10  -0.250 -10.953 -14.294
   75   1HD   LYS  10          2HD       LYS  10   1.172  -8.726 -15.436
   76   2HD   LYS  10          3HD       LYS  10   1.401 -10.092 -16.509
   77   1HE   LYS  10          2HE       LYS  10  -1.314 -10.281 -15.862
   78   2HE   LYS  10          3HE       LYS  10  -1.060  -8.549 -15.930
   79   1HZ   LYS  10          1HZ       LYS  10  -1.576  -9.825 -18.064
   80   2HZ   LYS  10          2HZ       LYS  10  -0.425  -8.666 -18.112
   81   3HZ   LYS  10          3HZ       LYS  10   0.004 -10.242 -18.051
   82    H    GLY  11           HN       GLY  11   3.863 -12.059 -10.814
   83   1HA   GLY  11          1HA       GLY  11   5.491 -11.328  -9.420
   84   2HA   GLY  11          2HA       GLY  11   5.365  -9.723 -10.110
   85    H    ASN  12           HN       ASN  12   5.456 -10.813  -7.219
   86    HA   ASN  12           HA       ASN  12   2.910 -10.282  -6.154
   87   1HB   ASN  12          2HB       ASN  12   4.263 -10.199  -3.944
   88   2HB   ASN  12          3HB       ASN  12   4.357 -11.695  -4.851
   89   1HD2  ASN  12          1HD       ASN  12   6.286 -12.514  -5.032
   90   2HD2  ASN  12          2HD       ASN  12   7.794 -11.665  -5.086
   91    H    VAL  13           HN       VAL  13   2.297  -8.374  -4.847
   92    HA   VAL  13           HA       VAL  13   3.654  -5.969  -5.754
   93    HB   VAL  13           HB       VAL  13   1.295  -6.026  -6.070
   94   1HG1  VAL  13          1HG       VAL  13  -0.226  -6.166  -3.998
   95   2HG1  VAL  13          2HG       VAL  13   0.492  -7.678  -4.602
   96   3HG1  VAL  13          3HG       VAL  13   1.182  -6.874  -3.171
   97   1HG2  VAL  13          1HG       VAL  13   2.101  -4.251  -3.747
   98   2HG2  VAL  13          2HG       VAL  13   2.087  -3.849  -5.481
   99   3HG2  VAL  13          3HG       VAL  13   0.553  -4.101  -4.612
  100    H    THR  14           HN       THR  14   5.610  -6.445  -4.440
  101    HA   THR  14           HA       THR  14   5.803  -6.878  -1.803
  102    HB   THR  14           HB       THR  14   7.320  -5.046  -3.704
  103    HG1  THR  14           HG1      THR  14   7.747  -7.551  -2.230
  104   1HG2  THR  14          1HG       THR  14   9.149  -4.996  -2.016
  105   2HG2  THR  14          2HG       THR  14   7.708  -4.164  -1.384
  106   3HG2  THR  14          3HG       THR  14   8.093  -5.814  -0.840
  107    H    PHE  15           HN       PHE  15   4.649  -6.167  -0.126
  108    HA   PHE  15           HA       PHE  15   3.549  -3.508  -0.218
  109   1HB   PHE  15          2HB       PHE  15   3.272  -6.088   1.244
  110   2HB   PHE  15          3HB       PHE  15   3.157  -4.714   2.327
  111    HD1  PHE  15           HD1      PHE  15   1.198  -3.400   2.414
  112    HD2  PHE  15           HD2      PHE  15   1.681  -6.228  -0.711
  113    HE1  PHE  15           HE1      PHE  15  -1.203  -3.080   1.754
  114    HE2  PHE  15           HE2      PHE  15  -0.720  -5.909  -1.372
  115    HZ   PHE  15           HZ       PHE  15  -2.132  -4.338  -0.131
  116    H    ASP  16           HN       ASP  16   3.564  -2.688   2.429
  117    HA   ASP  16           HA       ASP  16   6.282  -2.744   3.332
  118   1HB   ASP  16          2HB       ASP  16   4.892  -0.171   2.456
  119   2HB   ASP  16          3HB       ASP  16   6.343  -0.195   3.437
  120    H    HIS  17           HN       HIS  17   5.877  -3.238   5.498
  121    HA   HIS  17           HA       HIS  17   3.586  -1.905   6.740
  122   1HB   HIS  17          2HB       HIS  17   4.420  -4.637   6.678
  123   2HB   HIS  17          3HB       HIS  17   4.582  -4.069   8.328
  124    HD1  HIS  17           HD1      HIS  17   2.505  -6.049   8.273
  125    HD2  HIS  17           HD2      HIS  17   1.663  -2.131   7.031
  126    HE1  HIS  17           HE1      HIS  17  -0.028  -5.777   8.431
  127    H    LYS  18           HN       LYS  18   6.922  -3.155   7.480
  128    HA   LYS  18           HA       LYS  18   7.109  -1.280   9.668
  129   1HB   LYS  18          2HB       LYS  18   7.953  -3.703   9.658
  130   2HB   LYS  18          3HB       LYS  18   9.269  -3.133   8.652
  131   1HG   LYS  18          2HG       LYS  18   8.740  -1.478  11.080
  132   2HG   LYS  18          3HG       LYS  18   9.300  -3.106  11.406
  133   1HD   LYS  18          2HD       LYS  18  11.415  -2.620  10.721
  134   2HD   LYS  18          3HD       LYS  18  10.846  -1.902   9.228
  135   1HE   LYS  18          2HE       LYS  18  11.259   0.173  10.043
  136   2HE   LYS  18          3HE       LYS  18  10.134  -0.103  11.359
  137   1HZ   LYS  18          1HZ       LYS  18  11.918  -0.039  12.636
  138   2HZ   LYS  18          2HZ       LYS  18  12.322  -1.515  12.067
  139   3HZ   LYS  18          3HZ       LYS  18  12.963  -0.175  11.389
  140    H    ALA  19           HN       ALA  19   8.650  -1.878   6.450
  141    HA   ALA  19           HA       ALA  19  10.432   0.255   6.571
  142   1HB   ALA  19          1HB       ALA  19  10.975  -1.059   4.800
  143   2HB   ALA  19          2HB       ALA  19   9.291  -1.577   4.542
  144   3HB   ALA  19          3HB       ALA  19   9.851  -0.014   3.900
  145    H    HIS  20           HN       HIS  20   6.945   0.109   6.070
  146    HA   HIS  20           HA       HIS  20   6.929   2.830   5.058
  147   1HB   HIS  20          2HB       HIS  20   5.112   0.521   4.992
  148   2HB   HIS  20          3HB       HIS  20   4.298   2.033   5.338
  149    HD1  HIS  20           HD1      HIS  20   7.316   1.871   3.046
  150    HD2  HIS  20           HD2      HIS  20   3.149   2.276   2.801
  151    HE1  HIS  20           HE1      HIS  20   6.800   2.498   0.628
  152    H    ALA  21           HN       ALA  21   5.632   0.855   7.810
  153    HA   ALA  21           HA       ALA  21   4.335   2.779   9.207
  154   1HB   ALA  21          1HB       ALA  21   5.211   1.428  11.250
  155   2HB   ALA  21          2HB       ALA  21   4.252   0.570  10.020
  156   3HB   ALA  21          3HB       ALA  21   6.024   0.410  10.038
  157    H    GLU  22           HN       GLU  22   7.887   2.179   9.044
  158    HA   GLU  22           HA       GLU  22   8.689   3.846  11.022
  159   1HB   GLU  22          2HB       GLU  22  10.797   4.134   9.592
  160   2HB   GLU  22          3HB       GLU  22  10.318   2.484   9.936
  161   1HG   GLU  22          2HG       GLU  22   9.968   2.019   7.735
  162   2HG   GLU  22          3HG       GLU  22   9.003   3.464   7.504
  163    H    LYS  23           HN       LYS  23   7.180   4.646   7.960
  164    HA   LYS  23           HA       LYS  23   7.779   7.479   8.462
  165   1HB   LYS  23          2HB       LYS  23   7.471   5.944   5.881
  166   2HB   LYS  23          3HB       LYS  23   7.228   7.678   5.944
  167   1HG   LYS  23          2HG       LYS  23   9.608   7.375   7.359
  168   2HG   LYS  23          3HG       LYS  23   9.744   6.118   6.145
  169   1HD   LYS  23          2HD       LYS  23  10.247   7.662   4.566
  170   2HD   LYS  23          3HD       LYS  23   8.714   8.466   4.834
  171   1HE   LYS  23          2HE       LYS  23  11.170   8.927   6.589
  172   2HE   LYS  23          3HE       LYS  23  10.785   9.922   5.199
  173   1HZ   LYS  23          1HZ       LYS  23   8.508  10.083   6.385
  174   2HZ   LYS  23          2HZ       LYS  23   9.364   9.695   7.720
  175   3HZ   LYS  23          3HZ       LYS  23   9.748  11.032   6.865
  176    H    LEU  24           HN       LEU  24   5.319   5.415   6.748
  177    HA   LEU  24           HA       LEU  24   3.229   7.073   6.763
  178   1HB   LEU  24          2HB       LEU  24   3.371   4.111   7.271
  179   2HB   LEU  24          3HB       LEU  24   1.834   4.949   7.172
  180    HG   LEU  24           HG       LEU  24   2.494   5.754   4.882
  181   1HD1  LEU  24          1HD       LEU  24   4.843   5.637   4.872
  182   2HD1  LEU  24          2HD       LEU  24   4.849   3.938   5.400
  183   3HD1  LEU  24          3HD       LEU  24   4.303   4.358   3.758
  184   1HD2  LEU  24          1HD       LEU  24   1.865   3.735   3.776
  185   2HD2  LEU  24          2HD       LEU  24   2.447   2.738   5.132
  186   3HD2  LEU  24          3HD       LEU  24   1.018   3.779   5.341
  187    H    GLY  25           HN       GLY  25   3.426   4.617   9.421
  188   1HA   GLY  25          1HA       GLY  25   3.617   5.472  11.712
  189   2HA   GLY  25          2HA       GLY  25   2.493   6.739  11.264
  190    H    CYS  26           HN       CYS  26   1.717   3.834   9.611
  191    HA   CYS  26           HA       CYS  26   0.259   2.206   9.937
  192   1HB   CYS  26          2HB       CYS  26  -0.351   2.850  12.778
  193   2HB   CYS  26          3HB       CYS  26  -0.194   1.298  11.982
  194    H    ASP  27           HN       ASP  27  -0.713   4.951  12.137
  195    HA   ASP  27           HA       ASP  27  -3.340   4.897  11.813
  196   1HB   ASP  27          2HB       ASP  27  -3.355   7.308  12.248
  197   2HB   ASP  27          3HB       ASP  27  -2.073   6.561  13.179
  198    H    ALA  28           HN       ALA  28  -0.880   5.781   9.416
  199    HA   ALA  28           HA       ALA  28  -2.330   7.331   7.662
  200   1HB   ALA  28          1HB       ALA  28  -0.375   7.196   6.563
  201   2HB   ALA  28          2HB       ALA  28   0.170   6.006   7.770
  202   3HB   ALA  28          3HB       ALA  28  -0.612   5.457   6.268
  203    H    CYS  29           HN       CYS  29  -2.240   3.758   8.102
  204    HA   CYS  29           HA       CYS  29  -4.305   3.559   6.044
  205   1HB   CYS  29          2HB       CYS  29  -2.867   1.224   7.280
  206   2HB   CYS  29          3HB       CYS  29  -3.731   1.304   5.758
  207    H    HIS  30           HN       HIS  30  -3.358   2.247   9.311
  208    HA   HIS  30           HA       HIS  30  -6.115   1.584   9.827
  209   1HB   HIS  30          2HB       HIS  30  -3.743   1.325  11.689
  210   2HB   HIS  30          3HB       HIS  30  -5.293   0.515  11.814
  211    HD1  HIS  30           HD1      HIS  30  -5.685  -1.588  10.358
  212    HD2  HIS  30           HD2      HIS  30  -1.978   0.265   9.704
  213    HE1  HIS  30           HE1      HIS  30  -4.304  -3.222   8.966
  214    H    GLU  31           HN       GLU  31  -6.555   2.121  12.458
  215    HA   GLU  31           HA       GLU  31  -5.712   4.544  13.404
  216   1HB   GLU  31          2HB       GLU  31  -7.152   5.117  11.179
  217   2HB   GLU  31          3HB       GLU  31  -8.471   5.039  12.331
  218   1HG   GLU  31          2HG       GLU  31  -7.423   6.735  13.753
  219   2HG   GLU  31          3HG       GLU  31  -5.955   6.704  12.798
  220    H    GLY  32           HN       GLY  32  -5.872   3.686  15.460
  221   1HA   GLY  32          1HA       GLY  32  -7.003   3.350  17.417
  222   2HA   GLY  32          2HA       GLY  32  -8.532   3.389  16.562
  223    H    THR  33           HN       THR  33  -5.578   1.355  17.057
  224    HA   THR  33           HA       THR  33  -5.324  -0.847  17.246
  225    HB   THR  33           HB       THR  33  -8.370  -0.874  17.583
  226    HG1  THR  33           HG1      THR  33  -7.807  -0.316  19.709
  227   1HG2  THR  33          1HG       THR  33  -6.854  -3.102  17.337
  228   2HG2  THR  33          2HG       THR  33  -6.449  -2.703  19.023
  229   3HG2  THR  33          3HG       THR  33  -8.143  -2.991  18.559
  230    HA   PRO  34           HA       PRO  34  -5.967  -1.711  13.001
  231   1HB   PRO  34          2HB       PRO  34  -3.655  -3.119  12.629
  232   2HB   PRO  34          3HB       PRO  34  -3.759  -1.380  12.442
  233   1HG   PRO  34          2HG       PRO  34  -2.573  -2.940  14.657
  234   2HG   PRO  34          3HG       PRO  34  -2.319  -1.256  14.241
  235   1HD   PRO  34          2HD       PRO  34  -3.942  -2.271  16.376
  236   2HD   PRO  34          3HD       PRO  34  -3.780  -0.595  15.888
  237    H    ALA  35           HN       ALA  35  -6.695  -3.448  11.742
  238    HA   ALA  35           HA       ALA  35  -6.681  -5.996  13.162
  239   1HB   ALA  35          1HB       ALA  35  -8.887  -5.991  13.606
  240   2HB   ALA  35          2HB       ALA  35  -8.895  -4.260  13.192
  241   3HB   ALA  35          3HB       ALA  35  -9.279  -5.474  11.948
  242    H    LYS  36           HN       LYS  36  -7.542  -4.092  10.208
  243    HA   LYS  36           HA       LYS  36  -6.031  -5.697   8.522
  244   1HB   LYS  36          2HB       LYS  36  -7.455  -7.219   7.552
  245   2HB   LYS  36          3HB       LYS  36  -7.981  -7.287   9.223
  246   1HG   LYS  36          2HG       LYS  36 -10.072  -6.826   8.462
  247   2HG   LYS  36          3HG       LYS  36  -9.514  -5.189   8.184
  248   1HD   LYS  36          2HD       LYS  36  -9.906  -5.498   5.972
  249   2HD   LYS  36          3HD       LYS  36  -8.570  -6.632   5.943
  250   1HE   LYS  36          2HE       LYS  36  -9.969  -8.410   5.697
  251   2HE   LYS  36          3HE       LYS  36 -10.956  -7.910   7.058
  252   1HZ   LYS  36          1HZ       LYS  36 -11.261  -7.256   4.252
  253   2HZ   LYS  36          2HZ       LYS  36 -12.398  -7.650   5.355
  254   3HZ   LYS  36          3HZ       LYS  36 -11.756  -6.148   5.344
  255    H    ILE  37           HN       ILE  37  -7.122  -5.340   6.077
  256    HA   ILE  37           HA       ILE  37  -8.226  -2.650   5.998
  257    HB   ILE  37           HB       ILE  37  -5.631  -3.432   4.667
  258   1HG1  ILE  37          2HG       ILE  37  -6.319  -1.720   7.036
  259   2HG1  ILE  37          3HG       ILE  37  -5.052  -2.917   6.858
  260   1HG2  ILE  37          1HG       ILE  37  -7.039  -2.077   3.184
  261   2HG2  ILE  37          2HG       ILE  37  -7.200  -0.847   4.461
  262   3HG2  ILE  37          3HG       ILE  37  -5.607  -1.179   3.740
  263   1HD1  ILE  37          1HD       ILE  37  -5.150  -0.108   5.699
  264   2HD1  ILE  37          2HD       ILE  37  -3.917  -0.824   6.765
  265   3HD1  ILE  37          3HD       ILE  37  -4.032  -1.339   5.065
  266    H    ALA  38           HN       ALA  38  -9.096  -2.116   3.824
  267    HA   ALA  38           HA       ALA  38 -10.105  -4.556   2.598
  268   1HB   ALA  38          1HB       ALA  38 -11.921  -3.279   1.944
  269   2HB   ALA  38          2HB       ALA  38 -11.427  -2.390   3.405
  270   3HB   ALA  38          3HB       ALA  38 -10.959  -1.789   1.796
  271    H    ILE  39           HN       ILE  39  -7.986  -5.107   1.624
  272    HA   ILE  39           HA       ILE  39  -7.299  -3.335  -0.606
  273    HB   ILE  39           HB       ILE  39  -5.738  -5.378   0.956
  274   1HG1  ILE  39          2HG       ILE  39  -5.890  -3.115   1.898
  275   2HG1  ILE  39          3HG       ILE  39  -4.254  -3.521   1.422
  276   1HG2  ILE  39          1HG       ILE  39  -5.480  -4.782  -1.845
  277   2HG2  ILE  39          2HG       ILE  39  -4.049  -4.194  -0.966
  278   3HG2  ILE  39          3HG       ILE  39  -4.537  -5.900  -0.831
  279   1HD1  ILE  39          1HD       ILE  39  -4.805  -2.353  -0.840
  280   2HD1  ILE  39          2HD       ILE  39  -6.215  -1.680   0.012
  281   3HD1  ILE  39          3HD       ILE  39  -4.572  -1.317   0.589
  282    H    ASP  40           HN       ASP  40  -7.405  -4.050  -2.724
  283    HA   ASP  40           HA       ASP  40  -7.392  -6.606  -3.570
  284   1HB   ASP  40          2HB       ASP  40 -10.044  -6.635  -4.116
  285   2HB   ASP  40          3HB       ASP  40  -9.365  -7.411  -2.700
  286    H    LYS  41           HN       LYS  41  -8.134  -6.731  -5.929
  287    HA   LYS  41           HA       LYS  41  -7.394  -4.660  -7.442
  288   1HB   LYS  41          2HB       LYS  41  -8.018  -7.016  -8.143
  289   2HB   LYS  41          3HB       LYS  41  -9.688  -6.489  -8.196
  290   1HG   LYS  41          2HG       LYS  41  -9.313  -5.011 -10.002
  291   2HG   LYS  41          3HG       LYS  41  -7.600  -4.858  -9.659
  292   1HD   LYS  41          2HD       LYS  41  -7.156  -7.118 -10.475
  293   2HD   LYS  41          3HD       LYS  41  -8.868  -7.469 -10.603
  294   1HE   LYS  41          2HE       LYS  41  -9.155  -6.077 -12.497
  295   2HE   LYS  41          3HE       LYS  41  -7.737  -5.113 -12.135
  296   1HZ   LYS  41          1HZ       LYS  41  -7.222  -6.554 -13.906
  297   2HZ   LYS  41          2HZ       LYS  41  -6.414  -7.127 -12.608
  298   3HZ   LYS  41          3HZ       LYS  41  -7.771  -7.877 -13.123
  299    H    LYS  42           HN       LYS  42  -8.182  -2.716  -8.201
  300    HA   LYS  42           HA       LYS  42  -9.728  -1.131  -8.639
  301   1HB   LYS  42          2HB       LYS  42 -11.468  -3.065  -8.432
  302   2HB   LYS  42          3HB       LYS  42 -11.772  -2.410  -6.836
  303   1HG   LYS  42          2HG       LYS  42 -12.233  -0.169  -7.830
  304   2HG   LYS  42          3HG       LYS  42 -11.894  -0.798  -9.431
  305   1HD   LYS  42          2HD       LYS  42 -13.760  -2.530  -9.010
  306   2HD   LYS  42          3HD       LYS  42 -14.177  -1.608  -7.578
  307   1HE   LYS  42          2HE       LYS  42 -13.875   0.069 -10.010
  308   2HE   LYS  42          3HE       LYS  42 -15.153  -1.125 -10.142
  309   1HZ   LYS  42          1HZ       LYS  42 -15.602   1.142  -9.043
  310   2HZ   LYS  42          2HZ       LYS  42 -16.282  -0.203  -8.412
  311   3HZ   LYS  42          3HZ       LYS  42 -14.962   0.453  -7.707
  312    H    SER  43           HN       SER  43 -10.381  -2.270  -5.247
  313    HA   SER  43           HA       SER  43 -10.337   0.272  -4.198
  314   1HB   SER  43          2HB       SER  43  -9.857  -2.469  -2.976
  315   2HB   SER  43          3HB       SER  43  -9.835  -1.018  -1.993
  316    HG   SER  43           HG       SER  43 -11.989  -2.421  -2.942
  317    H    ALA  44           HN       ALA  44  -7.768  -2.310  -4.008
  318    HA   ALA  44           HA       ALA  44  -5.834  -0.684  -2.852
  319   1HB   ALA  44          1HB       ALA  44  -5.803  -3.227  -4.490
  320   2HB   ALA  44          2HB       ALA  44  -4.286  -2.470  -3.948
  321   3HB   ALA  44          3HB       ALA  44  -5.489  -3.008  -2.752
  322    H    HIS  45           HN       HIS  45  -7.213  -0.658  -6.030
  323    HA   HIS  45           HA       HIS  45  -4.862   0.679  -7.112
  324   1HB   HIS  45          2HB       HIS  45  -7.278  -0.643  -8.321
  325   2HB   HIS  45          3HB       HIS  45  -6.378   0.542  -9.247
  326    HD1  HIS  45           HD1      HIS  45  -5.967  -1.699 -10.793
  327    HD2  HIS  45           HD2      HIS  45  -3.951  -1.508  -7.119
  328    HE1  HIS  45           HE1      HIS  45  -4.071  -3.401 -10.928
  329    H    LYS  46           HN       LYS  46  -7.520   1.445  -5.285
  330    HA   LYS  46           HA       LYS  46  -8.001   3.956  -6.716
  331   1HB   LYS  46          2HB       LYS  46  -9.766   2.108  -5.602
  332   2HB   LYS  46          3HB       LYS  46  -9.722   3.401  -4.421
  333   1HG   LYS  46          2HG       LYS  46 -10.669   4.949  -5.861
  334   2HG   LYS  46          3HG       LYS  46  -9.881   4.281  -7.277
  335   1HD   LYS  46          2HD       LYS  46 -11.485   2.212  -6.882
  336   2HD   LYS  46          3HD       LYS  46 -12.413   3.331  -5.903
  337   1HE   LYS  46          2HE       LYS  46 -12.940   4.723  -7.740
  338   2HE   LYS  46          3HE       LYS  46 -11.560   4.189  -8.677
  339   1HZ   LYS  46          1HZ       LYS  46 -14.139   3.140  -8.654
  340   2HZ   LYS  46          2HZ       LYS  46 -12.884   2.721  -9.610
  341   3HZ   LYS  46          3HZ       LYS  46 -13.109   1.965  -8.179
  342    H    ASP  47           HN       ASP  47  -8.993   5.316  -4.318
  343    HA   ASP  47           HA       ASP  47  -6.817   6.670  -3.580
  344   1HB   ASP  47          2HB       ASP  47  -9.101   5.979  -1.676
  345   2HB   ASP  47          3HB       ASP  47  -8.085   7.405  -1.598
  346    H    ALA  48           HN       ALA  48  -7.860   3.455  -2.547
  347    HA   ALA  48           HA       ALA  48  -6.844   3.067  -0.103
  348   1HB   ALA  48          1HB       ALA  48  -6.608   0.766  -0.706
  349   2HB   ALA  48          2HB       ALA  48  -7.918   1.409  -1.726
  350   3HB   ALA  48          3HB       ALA  48  -6.293   1.171  -2.411
  351    H    CYS  49           HN       CYS  49  -4.832   2.433  -3.068
  352    HA   CYS  49           HA       CYS  49  -2.489   2.935  -1.425
  353   1HB   CYS  49          2HB       CYS  49  -2.876   1.653  -4.128
  354   2HB   CYS  49          3HB       CYS  49  -1.292   2.078  -3.510
  355    H    LYS  50           HN       LYS  50  -3.512   3.641  -4.854
  356    HA   LYS  50           HA       LYS  50  -1.817   5.780  -5.220
  357   1HB   LYS  50          2HB       LYS  50  -4.458   5.032  -6.485
  358   2HB   LYS  50          3HB       LYS  50  -3.533   6.422  -7.015
  359   1HG   LYS  50          2HG       LYS  50  -1.595   4.407  -6.888
  360   2HG   LYS  50          3HG       LYS  50  -3.011   3.542  -7.450
  361   1HD   LYS  50          2HD       LYS  50  -2.199   6.183  -8.718
  362   2HD   LYS  50          3HD       LYS  50  -1.454   4.680  -9.224
  363   1HE   LYS  50          2HE       LYS  50  -3.222   4.596 -10.691
  364   2HE   LYS  50          3HE       LYS  50  -4.076   3.920  -9.318
  365   1HZ   LYS  50          1HZ       LYS  50  -5.416   5.642  -9.482
  366   2HZ   LYS  50          2HZ       LYS  50  -4.206   6.627  -9.001
  367   3HZ   LYS  50          3HZ       LYS  50  -4.479   6.389 -10.592
  368    H    THR  51           HN       THR  51  -1.634   7.407  -3.740
  369    HA   THR  51           HA       THR  51  -3.353   9.495  -3.648
  370    HB   THR  51           HB       THR  51  -4.279   7.205  -1.969
  371    HG1  THR  51           HG1      THR  51  -6.205   8.756  -2.272
  372   1HG2  THR  51          1HG       THR  51  -3.738   8.485  -0.036
  373   2HG2  THR  51          2HG       THR  51  -3.944  10.031  -0.896
  374   3HG2  THR  51          3HG       THR  51  -5.371   9.068  -0.441
  375    H    CYS  52           HN       CYS  52  -1.702   7.463  -1.129
  376    HA   CYS  52           HA       CYS  52  -0.623   9.635   0.206
  377   1HB   CYS  52          2HB       CYS  52  -0.728   6.964   0.642
  378   2HB   CYS  52          3HB       CYS  52   0.955   7.129   0.181
  379    H    HIS  53           HN       HIS  53   0.788   7.425  -2.318
  380    HA   HIS  53           HA       HIS  53   3.243   8.671  -2.490
  381   1HB   HIS  53          2HB       HIS  53   1.777   7.335  -4.773
  382   2HB   HIS  53          3HB       HIS  53   3.509   7.500  -4.571
  383    HD1  HIS  53           HD1      HIS  53   0.970   5.043  -4.238
  384    HD2  HIS  53           HD2      HIS  53   4.294   6.113  -1.913
  385    HE1  HIS  53           HE1      HIS  53   1.491   3.026  -2.763
  386    H    LYS  54           HN       LYS  54   0.116   9.371  -4.133
  387    HA   LYS  54           HA       LYS  54   0.997  11.194  -5.982
  388   1HB   LYS  54          2HB       LYS  54  -1.582  10.901  -4.445
  389   2HB   LYS  54          3HB       LYS  54  -1.363  12.202  -5.597
  390   1HG   LYS  54          2HG       LYS  54  -0.419   9.980  -7.007
  391   2HG   LYS  54          3HG       LYS  54  -1.746   9.306  -6.081
  392   1HD   LYS  54          2HD       LYS  54  -3.307  10.969  -6.976
  393   2HD   LYS  54          3HD       LYS  54  -2.003  11.852  -7.746
  394   1HE   LYS  54          2HE       LYS  54  -1.733  10.264  -9.449
  395   2HE   LYS  54          3HE       LYS  54  -2.316   8.940  -8.459
  396   1HZ   LYS  54          1HZ       LYS  54  -3.820  10.864  -9.990
  397   2HZ   LYS  54          2HZ       LYS  54  -4.125   9.284  -9.716
  398   3HZ   LYS  54          3HZ       LYS  54  -4.485  10.395  -8.574
  399    H    SER  55           HN       SER  55   0.708  11.479  -2.460
  400    HA   SER  55           HA       SER  55   0.590  14.174  -2.186
  401   1HB   SER  55          2HB       SER  55   0.522  12.464  -0.343
  402   2HB   SER  55          3HB       SER  55   2.254  12.250  -0.502
  403    HG   SER  55           HG       SER  55   2.124  13.757   1.094
  404    H    ASN  56           HN       ASN  56   3.650  12.191  -2.075
  405    HA   ASN  56           HA       ASN  56   5.046  14.594  -2.919
  406   1HB   ASN  56          2HB       ASN  56   5.708  12.254  -1.195
  407   2HB   ASN  56          3HB       ASN  56   7.001  12.703  -2.288
  408   1HD2  ASN  56          1HD       ASN  56   4.993  13.670   0.380
  409   2HD2  ASN  56          2HD       ASN  56   5.891  15.062   0.885
  410    H    ASN  57           HN       ASN  57   5.740  11.030  -3.194
  411    HA   ASN  57           HA       ASN  57   5.309  10.985  -5.966
  412   1HB   ASN  57          2HB       ASN  57   7.665  10.627  -6.691
  413   2HB   ASN  57          3HB       ASN  57   7.476  12.222  -5.990
  414   1HD2  ASN  57          1HD       ASN  57   9.745  10.242  -6.264
  415   2HD2  ASN  57          2HD       ASN  57  10.448  10.120  -4.686
  416    H    GLY  58           HN       GLY  58   5.918   8.732  -6.836
  417   1HA   GLY  58          1HA       GLY  58   7.060   6.683  -5.446
  418   2HA   GLY  58          2HA       GLY  58   5.423   6.740  -4.826
  419    HA   PRO  59           HA       PRO  59   5.211   4.294  -8.620
  420   1HB   PRO  59          2HB       PRO  59   3.848   2.163  -7.584
  421   2HB   PRO  59          3HB       PRO  59   5.595   2.218  -7.699
  422   1HG   PRO  59          2HG       PRO  59   3.886   2.542  -5.310
  423   2HG   PRO  59          3HG       PRO  59   5.596   2.171  -5.394
  424   1HD   PRO  59          2HD       PRO  59   4.418   4.705  -4.745
  425   2HD   PRO  59          3HD       PRO  59   6.125   4.363  -4.942
  426    H    THR  60           HN       THR  60   3.937   6.278  -9.119
  427    HA   THR  60           HA       THR  60   1.126   6.027  -8.540
  428    HB   THR  60           HB       THR  60   2.880   7.980 -10.106
  429    HG1  THR  60           HG1      THR  60   2.763   8.956  -8.109
  430   1HG2  THR  60          1HG       THR  60   0.636   8.060 -11.142
  431   2HG2  THR  60          2HG       THR  60  -0.130   8.055  -9.534
  432   3HG2  THR  60          3HG       THR  60   0.828   9.461 -10.061
  433    H    LYS  61           HN       LYS  61   3.290   5.605 -11.388
  434    HA   LYS  61           HA       LYS  61   0.966   4.682 -12.894
  435   1HB   LYS  61          2HB       LYS  61   2.040   5.340 -14.773
  436   2HB   LYS  61          3HB       LYS  61   2.887   6.387 -13.652
  437   1HG   LYS  61          2HG       LYS  61   4.530   4.315 -13.386
  438   2HG   LYS  61          3HG       LYS  61   3.840   3.803 -14.913
  439   1HD   LYS  61          2HD       LYS  61   5.169   5.262 -16.024
  440   2HD   LYS  61          3HD       LYS  61   4.441   6.604 -15.162
  441   1HE   LYS  61          2HE       LYS  61   6.043   6.307 -13.287
  442   2HE   LYS  61          3HE       LYS  61   6.739   4.906 -14.077
  443   1HZ   LYS  61          1HZ       LYS  61   6.646   7.237 -15.723
  444   2HZ   LYS  61          2HZ       LYS  61   7.591   7.406 -14.402
  445   3HZ   LYS  61          3HZ       LYS  61   7.876   6.196 -15.460
  446    H    CYS  62           HN       CYS  62   2.058   2.837 -14.615
  447    HA   CYS  62           HA       CYS  62   2.080   0.553 -13.020
  448   1HB   CYS  62          2HB       CYS  62   1.889   1.164 -15.756
  449   2HB   CYS  62          3HB       CYS  62   3.282   0.112 -15.614
  450    H    GLY  63           HN       GLY  63   4.098  -1.137 -13.715
  451   1HA   GLY  63          1HA       GLY  63   6.184  -1.696 -13.066
  452   2HA   GLY  63          2HA       GLY  63   6.670  -0.305 -14.017
  453    H    GLY  64           HN       GLY  64   4.576   0.032 -11.150
  454   1HA   GLY  64          1HA       GLY  64   6.781   1.461  -9.808
  455   2HA   GLY  64          2HA       GLY  64   5.070   1.767  -9.593
  456    H    CYS  65           HN       CYS  65   3.758  -0.322  -8.851
  457    HA   CYS  65           HA       CYS  65   5.012  -1.134  -6.420
  458   1HB   CYS  65          2HB       CYS  65   2.438  -2.328  -7.341
  459   2HB   CYS  65          3HB       CYS  65   2.943  -1.845  -5.734
  460    H    HIS  66           HN       HIS  66   3.428  -2.946  -9.164
  461    HA   HIS  66           HA       HIS  66   4.473  -5.406  -8.489
  462   1HB   HIS  66          2HB       HIS  66   3.655  -4.325 -11.200
  463   2HB   HIS  66          3HB       HIS  66   3.943  -6.017 -10.848
  464    HD1  HIS  66           HD1      HIS  66   2.253  -7.162  -9.076
  465    HD2  HIS  66           HD2      HIS  66   1.132  -3.391 -10.532
  466    HE1  HIS  66           HE1      HIS  66  -0.227  -6.896  -8.538
  467    H    ILE  67           HN       ILE  67   6.130  -6.707  -9.723
  468    HA   ILE  67           HA       ILE  67   8.339  -4.969 -10.575
  469    HB   ILE  67           HB       ILE  67   8.431  -7.430  -8.833
  470   1HG1  ILE  67          2HG       ILE  67   9.435  -4.636  -8.248
  471   2HG1  ILE  67          3HG       ILE  67   7.828  -5.182  -7.811
  472   1HG2  ILE  67          1HG       ILE  67  10.993  -6.436  -8.932
  473   2HG2  ILE  67          2HG       ILE  67  10.392  -7.864  -9.808
  474   3HG2  ILE  67          3HG       ILE  67  10.448  -6.280 -10.619
  475   1HD1  ILE  67          1HD       ILE  67   9.287  -5.515  -5.893
  476   2HD1  ILE  67          2HD       ILE  67   8.883  -7.117  -6.556
  477   3HD1  ILE  67          3HD       ILE  67  10.473  -6.391  -6.890
  478    H    LYS  68           HN       LYS  68   8.299  -5.165 -12.772
  479    HA   LYS  68           HA       LYS  68   7.778  -7.807 -13.880
  480   1HB   LYS  68          2HB       LYS  68   6.469  -6.044 -14.836
  481   2HB   LYS  68          3HB       LYS  68   7.878  -5.032 -15.084
  482   1HG   LYS  68          2HG       LYS  68   8.754  -7.088 -16.528
  483   2HG   LYS  68          3HG       LYS  68   7.060  -7.536 -16.579
  484   1HD   LYS  68          2HD       LYS  68   6.474  -5.740 -17.915
  485   2HD   LYS  68          3HD       LYS  68   7.635  -4.661 -17.168
  486   1HE   LYS  68          2HE       LYS  68   9.445  -5.483 -18.488
  487   2HE   LYS  68          3HE       LYS  68   8.599  -6.961 -18.900
  488   1HZ   LYS  68          1HZ       LYS  68   6.946  -5.308 -19.969
  489   2HZ   LYS  68          2HZ       LYS  68   8.225  -4.292 -19.980
  490   3HZ   LYS  68          3HZ       LYS  68   8.312  -5.722 -20.763
  491    HHA  HEC  98           HGM      HEC  98  -3.990  -5.885   7.929
  492    HHB  HEC  98           HDM      HEC  98  -1.278  -3.695  13.108
  493    HHC  HEC  98           HAM      HEC  98   1.753   0.600   9.576
  494    HHD  HEC  98           HBM      HEC  98  -1.396  -1.421   4.594
  495   1HMA  HEC  98          1HM       HEC  98  -3.552  -6.657  13.128
  496   2HMA  HEC  98          2HM       HEC  98  -1.801  -6.956  13.014
  497   3HMA  HEC  98          3HM       HEC  98  -2.400  -5.431  13.709
  498   1HAA  HEC  98          1HA       HEC  98  -4.082  -7.805  11.118
  499   2HAA  HEC  98          2HA       HEC  98  -4.799  -7.039   9.681
  500   1HBA  HEC  98          3HB       HEC  98  -3.757  -8.786   8.552
  501   2HBA  HEC  98          4HB       HEC  98  -2.320  -7.746   8.682
  502   1HMB  HEC  98          1HM       HEC  98  -0.227  -0.649  14.570
  503   2HMB  HEC  98          2HM       HEC  98  -0.678  -2.365  14.438
  504   3HMB  HEC  98          3HM       HEC  98   1.031  -1.905  14.631
  505    HAB  HEC  98           HT2      HEC  98   2.212   1.026  11.504
  506   1HBB  HEC  98          1HT       HEC  98   3.979   0.602  13.177
  507   2HBB  HEC  98          2HT       HEC  98   3.328  -1.051  13.290
  508   3HBB  HEC  98          3HT       HEC  98   3.911  -0.428  11.728
  509   1HMC  HEC  98          1HM       HEC  98   2.920   1.591   6.667
  510   2HMC  HEC  98          2HM       HEC  98   1.607   2.751   6.980
  511   3HMC  HEC  98          3HM       HEC  98   2.370   1.885   8.333
  512    HAC  HEC  98           HT4      HEC  98  -0.988   1.257   4.589
  513   1HBC  HEC  98          1HT       HEC  98  -0.037  -0.589   3.363
  514   2HBC  HEC  98          2HT       HEC  98   0.564   0.910   2.616
  515   3HBC  HEC  98          3HT       HEC  98   1.621  -0.033   3.693
  516   1HMD  HEC  98          1HM       HEC  98  -2.385  -2.270   3.136
  517   2HMD  HEC  98          2HM       HEC  98  -2.923  -3.942   2.857
  518   3HMD  HEC  98          3HM       HEC  98  -4.107  -2.690   3.298
  519   1HAD  HEC  98          1HA       HEC  98  -4.503  -6.274   5.760
  520   2HAD  HEC  98          2HA       HEC  98  -4.882  -5.242   4.361
  521   1HBD  HEC  98          3HB       HEC  98  -3.001  -5.985   3.169
  522   2HBD  HEC  98          4HB       HEC  98  -2.260  -6.703   4.620
  523    HHA  HEC 128           HGM      HEC 128   7.988   4.132  -1.875
  524    HHB  HEC 128           HDM      HEC 128   3.826  -0.185  -3.608
  525    HHC  HEC 128           HAM      HEC 128  -0.180   2.087   0.741
  526    HHD  HEC 128           HBM      HEC 128   3.918   6.606   2.010
  527   1HMA  HEC 128          1HM       HEC 128   6.238  -0.032  -5.294
  528   2HMA  HEC 128          2HM       HEC 128   7.628  -0.523  -4.297
  529   3HMA  HEC 128          3HM       HEC 128   6.002  -1.143  -3.926
  530   1HAA  HEC 128          1HA       HEC 128   8.919   1.410  -4.149
  531   2HAA  HEC 128          2HA       HEC 128   8.908   3.015  -3.380
  532   1HBA  HEC 128          3HB       HEC 128   9.033   1.459  -1.131
  533   2HBA  HEC 128          4HB       HEC 128   9.855   0.370  -2.273
  534   1HMB  HEC 128          1HM       HEC 128   1.610  -1.907  -3.231
  535   2HMB  HEC 128          2HM       HEC 128   0.156  -0.984  -3.681
  536   3HMB  HEC 128          3HM       HEC 128   1.733  -0.568  -4.396
  537    HAB  HEC 128           HT2      HEC 128  -1.259   0.738  -0.418
  538   1HBB  HEC 128          1HT       HEC 128   0.094  -1.129   0.708
  539   2HBB  HEC 128          2HT       HEC 128  -1.685  -1.111   0.656
  540   3HBB  HEC 128          3HT       HEC 128  -0.772  -2.147  -0.467
  541   1HMC  HEC 128          1HM       HEC 128  -1.551   4.512   1.894
  542   2HMC  HEC 128          2HM       HEC 128  -1.030   2.879   2.371
  543   3HMC  HEC 128          3HM       HEC 128  -0.832   4.241   3.498
  544    HAC  HEC 128           HT4      HEC 128   2.061   7.062   3.141
  545   1HBC  HEC 128          1HT       HEC 128   0.539   5.582   4.648
  546   2HBC  HEC 128          2HT       HEC 128   0.339   7.349   4.723
  547   3HBC  HEC 128          3HT       HEC 128  -0.813   6.361   3.793
  548   1HMD  HEC 128          1HM       HEC 128   5.994   7.550   2.716
  549   2HMD  HEC 128          2HM       HEC 128   7.249   8.138   1.600
  550   3HMD  HEC 128          3HM       HEC 128   5.540   8.537   1.306
  551   1HAD  HEC 128          1HA       HEC 128   8.981   5.990  -0.876
  552   2HAD  HEC 128          2HA       HEC 128   8.582   7.382   0.159
  553   1HBD  HEC 128          3HB       HEC 128   8.951   6.028   2.146
  554   2HBD  HEC 128          4HB       HEC 128   9.311   4.612   1.127
  555    HHA  HEC 158           HGM      HEC 158  -3.199  -7.415  -7.052
  556    HHB  HEC 158           HDM      HEC 158  -2.132  -6.145 -13.071
  557    HHC  HEC 158           HAM      HEC 158  -0.485  -0.256 -11.425
  558    HHD  HEC 158           HBM      HEC 158  -1.158  -1.846  -5.439
  559   1HMA  HEC 158          1HM       HEC 158  -4.296  -7.849 -12.812
  560   2HMA  HEC 158          2HM       HEC 158  -2.696  -8.624 -12.740
  561   3HMA  HEC 158          3HM       HEC 158  -4.059  -9.311 -11.826
  562   1HAA  HEC 158          1HA       HEC 158  -3.997  -8.889  -7.937
  563   2HAA  HEC 158          2HA       HEC 158  -5.292  -8.873  -9.157
  564   1HBA  HEC 158          3HB       HEC 158  -2.871  -9.966 -10.364
  565   2HBA  HEC 158          4HB       HEC 158  -3.203 -10.839  -8.850
  566   1HMB  HEC 158          1HM       HEC 158  -0.181  -5.195 -14.680
  567   2HMB  HEC 158          2HM       HEC 158  -1.888  -4.901 -15.089
  568   3HMB  HEC 158          3HM       HEC 158  -0.644  -3.716 -15.555
  569    HAB  HEC 158           HT2      HEC 158   0.557  -0.982 -13.815
  570   1HBB  HEC 158          1HT       HEC 158  -1.898  -0.036 -12.928
  571   2HBB  HEC 158          2HT       HEC 158  -0.426   0.837 -13.417
  572   3HBB  HEC 158          3HT       HEC 158  -1.682   0.466 -14.622
  573   1HMC  HEC 158          1HM       HEC 158   1.198   1.485  -9.651
  574   2HMC  HEC 158          2HM       HEC 158  -0.331   1.553 -10.561
  575   3HMC  HEC 158          3HM       HEC 158  -0.222   2.295  -8.947
  576    HAC  HEC 158           HT4      HEC 158   0.139  -0.110  -5.518
  577   1HBC  HEC 158          1HT       HEC 158  -0.715   2.413  -6.969
  578   2HBC  HEC 158          2HT       HEC 158  -1.454   1.640  -5.546
  579   3HBC  HEC 158          3HT       HEC 158   0.109   2.477  -5.393
  580   1HMD  HEC 158          1HM       HEC 158  -0.830  -3.893  -3.186
  581   2HMD  HEC 158          2HM       HEC 158  -1.807  -2.467  -3.608
  582   3HMD  HEC 158          3HM       HEC 158  -2.591  -3.911  -2.923
  583   1HAD  HEC 158          1HA       HEC 158  -3.186  -5.841  -3.329
  584   2HAD  HEC 158          2HA       HEC 158  -4.353  -6.347  -4.574
  585   1HBD  HEC 158          3HB       HEC 158  -1.961  -7.702  -5.155
  586   2HBD  HEC 158          4HB       HEC 158  -2.185  -7.812  -3.393
  Start of MODEL    7
    1    H    ALA   1           HN       ALA   1   3.648  -6.521  10.397
    2    HA   ALA   1           HA       ALA   1   5.145  -8.741  11.602
    3   1HB   ALA   1          1HB       ALA   1   3.430  -8.529   9.314
    4   2HB   ALA   1          2HB       ALA   1   5.082  -8.857   8.738
    5   3HB   ALA   1          3HB       ALA   1   4.312  -9.956   9.908
    6    H    ASP   2           HN       ASP   2   5.508  -6.755   8.587
    7    HA   ASP   2           HA       ASP   2   7.472  -5.128   9.240
    8   1HB   ASP   2          2HB       ASP   2   8.468  -7.890   9.332
    9   2HB   ASP   2          3HB       ASP   2   9.356  -6.945   8.153
   10    H    VAL   3           HN       VAL   3   6.367  -7.716   7.041
   11    HA   VAL   3           HA       VAL   3   6.145  -5.968   4.859
   12    HB   VAL   3           HB       VAL   3   8.588  -6.159   4.853
   13   1HG1  VAL   3          1HG       VAL   3   9.751  -8.207   4.529
   14   2HG1  VAL   3          2HG       VAL   3   8.606  -8.492   5.862
   15   3HG1  VAL   3          3HG       VAL   3   8.243  -9.104   4.230
   16   1HG2  VAL   3          1HG       VAL   3   6.879  -7.124   2.618
   17   2HG2  VAL   3          2HG       VAL   3   7.988  -5.735   2.702
   18   3HG2  VAL   3          3HG       VAL   3   8.632  -7.374   2.446
   19    H    VAL   4           HN       VAL   4   4.513  -6.772   3.620
   20    HA   VAL   4           HA       VAL   4   4.020  -9.660   3.855
   21    HB   VAL   4           HB       VAL   4   1.993  -7.440   3.525
   22   1HG1  VAL   4          1HG       VAL   4   1.567  -9.859   2.640
   23   2HG1  VAL   4          2HG       VAL   4   1.385 -10.268   4.364
   24   3HG1  VAL   4          3HG       VAL   4   0.319  -9.051   3.621
   25   1HG2  VAL   4          1HG       VAL   4   1.708  -7.305   5.765
   26   2HG2  VAL   4          2HG       VAL   4   2.022  -9.039   6.018
   27   3HG2  VAL   4          3HG       VAL   4   3.382  -7.908   5.816
   28    H    THR   5           HN       THR   5   5.701  -9.473   1.977
   29    HA   THR   5           HA       THR   5   4.737  -8.390  -0.480
   30    HB   THR   5           HB       THR   5   7.034 -10.250   0.314
   31    HG1  THR   5           HG1      THR   5   8.131  -8.162  -0.074
   32   1HG2  THR   5          1HG       THR   5   8.001  -9.663  -1.908
   33   2HG2  THR   5          2HG       THR   5   6.480 -10.566  -2.115
   34   3HG2  THR   5          3HG       THR   5   6.504  -8.800  -2.334
   35    H    TYR   6           HN       TYR   6   3.093  -9.156  -1.638
   36    HA   TYR   6           HA       TYR   6   2.486 -12.006  -1.397
   37   1HB   TYR   6          2HB       TYR   6   1.113  -9.462  -2.444
   38   2HB   TYR   6          3HB       TYR   6   0.411 -11.042  -2.726
   39    HD1  TYR   6           HD1      TYR   6   0.418 -12.526  -0.373
   40    HD2  TYR   6           HD2      TYR   6   0.132  -8.272  -0.723
   41    HE1  TYR   6           HE1      TYR   6  -0.736 -12.410   1.890
   42    HE2  TYR   6           HE2      TYR   6  -1.020  -8.170   1.541
   43    HH   TYR   6           HH       TYR   6  -2.513 -10.047   2.885
   44    H    GLU   7           HN       GLU   7   3.148 -13.399  -2.947
   45    HA   GLU   7           HA       GLU   7   4.130 -12.271  -5.401
   46   1HB   GLU   7          2HB       GLU   7   4.158 -15.126  -4.329
   47   2HB   GLU   7          3HB       GLU   7   4.914 -14.628  -5.829
   48   1HG   GLU   7          2HG       GLU   7   6.770 -14.177  -4.596
   49   2HG   GLU   7          3HG       GLU   7   5.917 -12.762  -4.011
   50    H    ASN   8           HN       ASN   8   2.815 -12.020  -7.150
   51    HA   ASN   8           HA       ASN   8   0.563 -13.864  -7.326
   52   1HB   ASN   8          2HB       ASN   8  -0.567 -12.045  -8.659
   53   2HB   ASN   8          3HB       ASN   8  -0.190 -11.536  -7.024
   54   1HD2  ASN   8          1HD       ASN   8   0.298  -9.479  -7.071
   55   2HD2  ASN   8          2HD       ASN   8   1.403  -8.689  -8.146
   56    H    LYS   9           HN       LYS   9  -0.205 -13.426  -9.986
   57    HA   LYS   9           HA       LYS   9   2.000 -14.632 -11.399
   58   1HB   LYS   9          2HB       LYS   9  -0.852 -14.737 -11.509
   59   2HB   LYS   9          3HB       LYS   9  -0.282 -14.171 -13.066
   60   1HG   LYS   9          2HG       LYS   9   0.845 -16.145 -13.539
   61   2HG   LYS   9          3HG       LYS   9   1.251 -16.448 -11.862
   62   1HD   LYS   9          2HD       LYS   9  -0.384 -18.051 -12.015
   63   2HD   LYS   9          3HD       LYS   9  -1.466 -16.706 -11.714
   64   1HE   LYS   9          2HE       LYS   9  -1.177 -16.473 -14.433
   65   2HE   LYS   9          3HE       LYS   9  -0.958 -18.203 -14.256
   66   1HZ   LYS   9          1HZ       LYS   9  -3.263 -17.613 -14.532
   67   2HZ   LYS   9          2HZ       LYS   9  -3.034 -18.295 -13.066
   68   3HZ   LYS   9          3HZ       LYS   9  -3.236 -16.680 -13.193
   69    H    LYS  10           HN       LYS  10   0.180 -11.553 -11.296
   70    HA   LYS  10           HA       LYS  10   1.677 -10.564 -13.573
   71   1HB   LYS  10          2HB       LYS  10  -0.720  -9.692 -12.022
   72   2HB   LYS  10          3HB       LYS  10   0.232  -8.446 -12.804
   73   1HG   LYS  10          2HG       LYS  10   0.083 -10.345 -14.815
   74   2HG   LYS  10          3HG       LYS  10  -1.459 -10.578 -14.016
   75   1HD   LYS  10          2HD       LYS  10  -0.766  -7.721 -14.407
   76   2HD   LYS  10          3HD       LYS  10  -0.901  -8.610 -15.911
   77   1HE   LYS  10          2HE       LYS  10  -3.070  -9.236 -13.987
   78   2HE   LYS  10          3HE       LYS  10  -3.037  -7.551 -14.463
   79   1HZ   LYS  10          1HZ       LYS  10  -2.666  -8.818 -16.787
   80   2HZ   LYS  10          2HZ       LYS  10  -3.677  -9.848 -16.022
   81   3HZ   LYS  10          3HZ       LYS  10  -4.111  -8.289 -16.240
   82    H    GLY  11           HN       GLY  11   3.510 -11.284 -11.732
   83   1HA   GLY  11          1HA       GLY  11   5.424 -10.179 -11.027
   84   2HA   GLY  11          2HA       GLY  11   4.523  -8.688 -10.843
   85    H    ASN  12           HN       ASN  12   4.405  -8.054  -8.739
   86    HA   ASN  12           HA       ASN  12   3.146  -9.563  -6.832
   87   1HB   ASN  12          2HB       ASN  12   5.071 -10.101  -5.293
   88   2HB   ASN  12          3HB       ASN  12   5.133 -11.022  -6.783
   89   1HD2  ASN  12          1HD       ASN  12   6.709  -8.834  -4.734
   90   2HD2  ASN  12          2HD       ASN  12   8.102  -8.478  -5.700
   91    H    VAL  13           HN       VAL  13   3.075  -8.331  -4.739
   92    HA   VAL  13           HA       VAL  13   4.099  -5.601  -5.090
   93    HB   VAL  13           HB       VAL  13   1.807  -5.418  -5.056
   94   1HG1  VAL  13          1HG       VAL  13   1.154  -7.687  -4.691
   95   2HG1  VAL  13          2HG       VAL  13   1.772  -7.665  -3.022
   96   3HG1  VAL  13          3HG       VAL  13   0.336  -6.704  -3.452
   97   1HG2  VAL  13          1HG       VAL  13   1.502  -4.027  -3.311
   98   2HG2  VAL  13          2HG       VAL  13   1.842  -5.296  -2.110
   99   3HG2  VAL  13          3HG       VAL  13   3.186  -4.434  -2.897
  100    H    THR  14           HN       THR  14   5.875  -5.174  -3.893
  101    HA   THR  14           HA       THR  14   6.498  -6.862  -1.635
  102    HB   THR  14           HB       THR  14   7.865  -4.550  -3.096
  103    HG1  THR  14           HG1      THR  14   7.642  -6.853  -3.928
  104   1HG2  THR  14          1HG       THR  14   9.839  -5.816  -1.657
  105   2HG2  THR  14          2HG       THR  14   9.069  -4.301  -1.130
  106   3HG2  THR  14          3HG       THR  14   8.506  -5.860  -0.479
  107    H    PHE  15           HN       PHE  15   4.115  -5.809  -0.982
  108    HA   PHE  15           HA       PHE  15   3.937  -3.347   0.114
  109   1HB   PHE  15          2HB       PHE  15   2.166  -5.147  -0.002
  110   2HB   PHE  15          3HB       PHE  15   3.025  -6.075   1.210
  111    HD1  PHE  15           HD1      PHE  15   2.779  -5.598   3.528
  112    HD2  PHE  15           HD2      PHE  15   1.078  -2.993   0.642
  113    HE1  PHE  15           HE1      PHE  15   1.477  -4.443   5.337
  114    HE2  PHE  15           HE2      PHE  15  -0.225  -1.840   2.450
  115    HZ   PHE  15           HZ       PHE  15  -0.010  -2.579   4.776
  116    H    ASP  16           HN       ASP  16   3.833  -2.800   2.566
  117    HA   ASP  16           HA       ASP  16   5.886  -4.176   4.047
  118   1HB   ASP  16          2HB       ASP  16   5.950  -1.221   3.308
  119   2HB   ASP  16          3HB       ASP  16   6.818  -1.836   4.700
  120    H    HIS  17           HN       HIS  17   5.633  -3.799   6.386
  121    HA   HIS  17           HA       HIS  17   3.137  -2.405   7.030
  122   1HB   HIS  17          2HB       HIS  17   3.676  -5.072   7.365
  123   2HB   HIS  17          3HB       HIS  17   4.126  -4.433   8.933
  124    HD1  HIS  17           HD1      HIS  17   2.154  -5.246  10.305
  125    HD2  HIS  17           HD2      HIS  17   0.991  -3.137   6.871
  126    HE1  HIS  17           HE1      HIS  17  -0.368  -4.905  10.497
  127    H    LYS  18           HN       LYS  18   6.362  -3.408   8.371
  128    HA   LYS  18           HA       LYS  18   6.219  -1.239  10.275
  129   1HB   LYS  18          2HB       LYS  18   7.158  -3.679  10.589
  130   2HB   LYS  18          3HB       LYS  18   8.617  -3.007   9.889
  131   1HG   LYS  18          2HG       LYS  18   8.996  -1.566  11.688
  132   2HG   LYS  18          3HG       LYS  18   7.292  -1.413  12.070
  133   1HD   LYS  18          2HD       LYS  18   7.287  -3.773  12.933
  134   2HD   LYS  18          3HD       LYS  18   8.999  -3.896  12.580
  135   1HE   LYS  18          2HE       LYS  18   9.609  -2.410  14.302
  136   2HE   LYS  18          3HE       LYS  18   8.062  -1.590  14.292
  137   1HZ   LYS  18          1HZ       LYS  18   8.846  -3.713  15.880
  138   2HZ   LYS  18          2HZ       LYS  18   7.407  -2.942  15.879
  139   3HZ   LYS  18          3HZ       LYS  18   7.631  -4.255  14.934
  140    H    ALA  19           HN       ALA  19   8.132  -2.221   7.371
  141    HA   ALA  19           HA       ALA  19   9.891  -0.074   7.401
  142   1HB   ALA  19          1HB       ALA  19   9.635  -2.315   5.943
  143   2HB   ALA  19          2HB       ALA  19   8.910  -1.166   4.792
  144   3HB   ALA  19          3HB       ALA  19  10.574  -0.915   5.372
  145    H    HIS  20           HN       HIS  20   6.480  -0.337   6.471
  146    HA   HIS  20           HA       HIS  20   6.554   2.205   5.116
  147   1HB   HIS  20          2HB       HIS  20   4.710  -0.065   5.352
  148   2HB   HIS  20          3HB       HIS  20   3.895   1.485   5.430
  149    HD1  HIS  20           HD1      HIS  20   6.977   0.846   3.289
  150    HD2  HIS  20           HD2      HIS  20   2.848   1.446   2.856
  151    HE1  HIS  20           HE1      HIS  20   6.553   1.119   0.788
  152    H    ALA  21           HN       ALA  21   5.029   0.766   8.080
  153    HA   ALA  21           HA       ALA  21   3.720   2.883   9.077
  154   1HB   ALA  21          1HB       ALA  21   3.566   0.999  10.398
  155   2HB   ALA  21          2HB       ALA  21   5.305   0.638  10.277
  156   3HB   ALA  21          3HB       ALA  21   4.737   1.929  11.363
  157    H    GLU  22           HN       GLU  22   7.225   2.520   8.702
  158    HA   GLU  22           HA       GLU  22   8.179   4.274  10.501
  159   1HB   GLU  22          2HB       GLU  22   9.048   3.907   7.601
  160   2HB   GLU  22          3HB       GLU  22  10.008   4.730   8.814
  161   1HG   GLU  22          2HG       GLU  22   9.134   2.171   9.878
  162   2HG   GLU  22          3HG       GLU  22   9.860   1.913   8.305
  163    H    LYS  23           HN       LYS  23   7.129   5.117   7.116
  164    HA   LYS  23           HA       LYS  23   7.114   7.917   7.874
  165   1HB   LYS  23          2HB       LYS  23   6.750   6.478   5.233
  166   2HB   LYS  23          3HB       LYS  23   6.567   8.211   5.418
  167   1HG   LYS  23          2HG       LYS  23   9.048   7.241   6.675
  168   2HG   LYS  23          3HG       LYS  23   8.978   6.821   4.976
  169   1HD   LYS  23          2HD       LYS  23   8.682   9.134   4.316
  170   2HD   LYS  23          3HD       LYS  23   8.367   9.638   5.964
  171   1HE   LYS  23          2HE       LYS  23  10.605   9.665   6.535
  172   2HE   LYS  23          3HE       LYS  23  10.982   8.255   5.565
  173   1HZ   LYS  23          1HZ       LYS  23  11.413   9.519   3.792
  174   2HZ   LYS  23          2HZ       LYS  23  10.215  10.591   4.080
  175   3HZ   LYS  23          3HZ       LYS  23  11.633  10.716   4.881
  176    H    LEU  24           HN       LEU  24   4.858   5.335   6.721
  177    HA   LEU  24           HA       LEU  24   2.570   6.822   6.566
  178   1HB   LEU  24          2HB       LEU  24   3.179   3.966   7.197
  179   2HB   LEU  24          3HB       LEU  24   1.533   4.538   7.385
  180    HG   LEU  24           HG       LEU  24   2.174   5.485   4.881
  181   1HD1  LEU  24          1HD       LEU  24   4.131   3.510   5.477
  182   2HD1  LEU  24          2HD       LEU  24   3.018   2.829   4.267
  183   3HD1  LEU  24          3HD       LEU  24   3.846   4.372   3.946
  184   1HD2  LEU  24          1HD       LEU  24   0.225   3.988   5.965
  185   2HD2  LEU  24          2HD       LEU  24   0.426   4.214   4.212
  186   3HD2  LEU  24          3HD       LEU  24   1.047   2.741   4.995
  187    H    GLY  25           HN       GLY  25   2.831   4.572   9.350
  188   1HA   GLY  25          1HA       GLY  25   3.123   5.561  11.592
  189   2HA   GLY  25          2HA       GLY  25   2.005   6.816  11.095
  190    H    CYS  26           HN       CYS  26   1.103   3.892   9.592
  191    HA   CYS  26           HA       CYS  26  -0.297   2.239  10.115
  192   1HB   CYS  26          2HB       CYS  26  -0.909   3.302  12.849
  193   2HB   CYS  26          3HB       CYS  26  -0.943   1.651  12.261
  194    H    ASP  27           HN       ASP  27  -1.456   5.097  12.063
  195    HA   ASP  27           HA       ASP  27  -4.036   5.001  11.523
  196   1HB   ASP  27          2HB       ASP  27  -2.219   6.956  12.435
  197   2HB   ASP  27          3HB       ASP  27  -3.048   7.748  11.110
  198    H    ALA  28           HN       ALA  28  -1.403   5.836   9.289
  199    HA   ALA  28           HA       ALA  28  -2.687   7.271   7.349
  200   1HB   ALA  28          1HB       ALA  28  -0.312   5.570   7.607
  201   2HB   ALA  28          2HB       ALA  28  -0.998   5.536   5.965
  202   3HB   ALA  28          3HB       ALA  28  -0.533   7.088   6.703
  203    H    CYS  29           HN       CYS  29  -2.690   3.711   7.933
  204    HA   CYS  29           HA       CYS  29  -4.683   3.488   5.804
  205   1HB   CYS  29          2HB       CYS  29  -3.371   1.116   7.072
  206   2HB   CYS  29          3HB       CYS  29  -4.061   1.287   5.470
  207    H    HIS  30           HN       HIS  30  -3.814   2.280   9.129
  208    HA   HIS  30           HA       HIS  30  -6.545   1.515   9.583
  209   1HB   HIS  30          2HB       HIS  30  -4.216   1.518  11.519
  210   2HB   HIS  30          3HB       HIS  30  -5.739   0.669  11.701
  211    HD1  HIS  30           HD1      HIS  30  -6.025  -1.579  10.469
  212    HD2  HIS  30           HD2      HIS  30  -2.411   0.368   9.606
  213    HE1  HIS  30           HE1      HIS  30  -4.579  -3.274   9.225
  214    H    GLU  31           HN       GLU  31  -7.167   2.188  12.134
  215    HA   GLU  31           HA       GLU  31  -6.562   4.907  12.650
  216   1HB   GLU  31          2HB       GLU  31  -8.345   4.944  10.776
  217   2HB   GLU  31          3HB       GLU  31  -9.466   4.313  11.966
  218   1HG   GLU  31          2HG       GLU  31  -8.401   6.381  13.406
  219   2HG   GLU  31          3HG       GLU  31  -8.211   7.028  11.789
  220    H    GLY  32           HN       GLY  32  -6.295   4.820  14.835
  221   1HA   GLY  32          1HA       GLY  32  -6.516   4.114  16.969
  222   2HA   GLY  32          2HA       GLY  32  -8.218   4.430  16.697
  223    H    THR  33           HN       THR  33  -5.688   1.954  16.874
  224    HA   THR  33           HA       THR  33  -5.795  -0.239  17.241
  225    HB   THR  33           HB       THR  33  -8.813   0.165  17.582
  226    HG1  THR  33           HG1      THR  33  -7.940   1.503  19.143
  227   1HG2  THR  33          1HG       THR  33  -6.895  -2.040  18.117
  228   2HG2  THR  33          2HG       THR  33  -7.833  -1.553  19.549
  229   3HG2  THR  33          3HG       THR  33  -8.674  -2.080  18.072
  230    HA   PRO  34           HA       PRO  34  -6.673  -1.249  13.069
  231   1HB   PRO  34          2HB       PRO  34  -4.620  -3.026  12.756
  232   2HB   PRO  34          3HB       PRO  34  -4.454  -1.306  12.457
  233   1HG   PRO  34          2HG       PRO  34  -3.472  -2.893  14.749
  234   2HG   PRO  34          3HG       PRO  34  -2.968  -1.300  14.221
  235   1HD   PRO  34          2HD       PRO  34  -4.675  -1.910  16.443
  236   2HD   PRO  34          3HD       PRO  34  -4.265  -0.315  15.843
  237    H    ALA  35           HN       ALA  35  -6.274  -3.782  12.013
  238    HA   ALA  35           HA       ALA  35  -7.126  -5.832  13.645
  239   1HB   ALA  35          1HB       ALA  35  -9.266  -3.964  12.839
  240   2HB   ALA  35          2HB       ALA  35  -9.601  -5.664  12.432
  241   3HB   ALA  35          3HB       ALA  35  -9.252  -5.204  14.116
  242    H    LYS  36           HN       LYS  36  -8.031  -4.378  10.432
  243    HA   LYS  36           HA       LYS  36  -6.355  -6.039   8.971
  244   1HB   LYS  36          2HB       LYS  36  -7.636  -7.816   8.224
  245   2HB   LYS  36          3HB       LYS  36  -8.060  -7.739   9.922
  246   1HG   LYS  36          2HG       LYS  36 -10.236  -7.540   9.317
  247   2HG   LYS  36          3HG       LYS  36  -9.867  -5.961   8.655
  248   1HD   LYS  36          2HD       LYS  36 -10.703  -6.985   6.743
  249   2HD   LYS  36          3HD       LYS  36  -9.006  -7.380   6.559
  250   1HE   LYS  36          2HE       LYS  36  -9.635  -9.563   6.468
  251   2HE   LYS  36          3HE       LYS  36  -9.957  -9.456   8.187
  252   1HZ   LYS  36          1HZ       LYS  36 -12.027  -8.457   6.451
  253   2HZ   LYS  36          2HZ       LYS  36 -11.795 -10.073   6.427
  254   3HZ   LYS  36          3HZ       LYS  36 -12.151  -9.321   7.832
  255    H    ILE  37           HN       ILE  37  -7.132  -6.020   6.523
  256    HA   ILE  37           HA       ILE  37  -8.792  -3.690   6.008
  257    HB   ILE  37           HB       ILE  37  -5.963  -3.926   4.977
  258   1HG1  ILE  37          2HG       ILE  37  -7.165  -2.308   7.219
  259   2HG1  ILE  37          3HG       ILE  37  -5.733  -3.319   7.236
  260   1HG2  ILE  37          1HG       ILE  37  -8.016  -1.724   4.619
  261   2HG2  ILE  37          2HG       ILE  37  -6.344  -1.726   4.008
  262   3HG2  ILE  37          3HG       ILE  37  -7.523  -2.902   3.380
  263   1HD1  ILE  37          1HD       ILE  37  -5.048  -0.971   7.181
  264   2HD1  ILE  37          2HD       ILE  37  -4.624  -1.728   5.626
  265   3HD1  ILE  37          3HD       ILE  37  -6.056  -0.676   5.743
  266    H    ALA  38           HN       ALA  38  -9.416  -3.556   3.680
  267    HA   ALA  38           HA       ALA  38  -9.502  -6.269   2.573
  268   1HB   ALA  38          1HB       ALA  38 -11.271  -3.871   1.953
  269   2HB   ALA  38          2HB       ALA  38 -11.543  -5.565   1.481
  270   3HB   ALA  38          3HB       ALA  38 -11.646  -5.092   3.194
  271    H    ILE  39           HN       ILE  39  -7.547  -6.363   1.428
  272    HA   ILE  39           HA       ILE  39  -7.358  -4.404  -0.752
  273    HB   ILE  39           HB       ILE  39  -5.169  -5.572   0.959
  274   1HG1  ILE  39          2HG       ILE  39  -6.456  -3.523   1.730
  275   2HG1  ILE  39          3HG       ILE  39  -4.714  -3.366   1.633
  276   1HG2  ILE  39          1HG       ILE  39  -5.080  -4.892  -1.837
  277   2HG2  ILE  39          2HG       ILE  39  -4.062  -3.770  -0.901
  278   3HG2  ILE  39          3HG       ILE  39  -3.795  -5.526  -0.780
  279   1HD1  ILE  39          1HD       ILE  39  -6.037  -2.681  -0.914
  280   2HD1  ILE  39          2HD       ILE  39  -6.568  -1.657   0.442
  281   3HD1  ILE  39          3HD       ILE  39  -4.840  -1.758   0.027
  282    H    ASP  40           HN       ASP  40  -6.954  -5.222  -2.810
  283    HA   ASP  40           HA       ASP  40  -6.059  -7.840  -3.194
  284   1HB   ASP  40          2HB       ASP  40  -8.266  -8.568  -2.538
  285   2HB   ASP  40          3HB       ASP  40  -9.041  -7.291  -3.455
  286    H    LYS  41           HN       LYS  41  -8.485  -5.507  -4.620
  287    HA   LYS  41           HA       LYS  41  -6.759  -4.447  -6.513
  288   1HB   LYS  41          2HB       LYS  41  -6.666  -6.649  -7.521
  289   2HB   LYS  41          3HB       LYS  41  -8.415  -6.763  -7.554
  290   1HG   LYS  41          2HG       LYS  41  -7.639  -4.286  -8.838
  291   2HG   LYS  41          3HG       LYS  41  -6.678  -5.583  -9.519
  292   1HD   LYS  41          2HD       LYS  41  -8.853  -6.908  -9.820
  293   2HD   LYS  41          3HD       LYS  41  -9.723  -5.459  -9.354
  294   1HE   LYS  41          2HE       LYS  41  -9.114  -4.289 -11.303
  295   2HE   LYS  41          3HE       LYS  41  -7.657  -5.233 -11.546
  296   1HZ   LYS  41          1HZ       LYS  41 -10.297  -5.756 -12.443
  297   2HZ   LYS  41          2HZ       LYS  41  -8.879  -6.355 -12.988
  298   3HZ   LYS  41          3HZ       LYS  41  -9.628  -7.059 -11.718
  299    H    LYS  42           HN       LYS  42  -8.125  -2.909  -5.089
  300    HA   LYS  42           HA       LYS  42 -10.113  -1.805  -6.766
  301   1HB   LYS  42          2HB       LYS  42 -11.428  -3.669  -5.782
  302   2HB   LYS  42          3HB       LYS  42 -11.113  -3.033  -4.180
  303   1HG   LYS  42          2HG       LYS  42 -12.113  -0.929  -5.967
  304   2HG   LYS  42          3HG       LYS  42 -13.220  -2.287  -5.914
  305   1HD   LYS  42          2HD       LYS  42 -12.921  -2.170  -3.312
  306   2HD   LYS  42          3HD       LYS  42 -12.236  -0.584  -3.597
  307   1HE   LYS  42          2HE       LYS  42 -14.714  -0.893  -5.117
  308   2HE   LYS  42          3HE       LYS  42 -14.995  -1.262  -3.427
  309   1HZ   LYS  42          1HZ       LYS  42 -13.540   0.902  -3.182
  310   2HZ   LYS  42          2HZ       LYS  42 -14.206   1.230  -4.636
  311   3HZ   LYS  42          3HZ       LYS  42 -15.164   0.956  -3.342
  312    H    SER  43           HN       SER  43  -9.812  -1.878  -3.157
  313    HA   SER  43           HA       SER  43  -9.738   0.907  -3.046
  314   1HB   SER  43          2HB       SER  43  -9.604  -1.364  -1.169
  315   2HB   SER  43          3HB       SER  43  -8.639  -0.001  -0.637
  316    HG   SER  43           HG       SER  43 -11.408   0.200  -1.465
  317    H    ALA  44           HN       ALA  44  -7.194  -1.655  -2.675
  318    HA   ALA  44           HA       ALA  44  -5.070   0.036  -2.122
  319   1HB   ALA  44          1HB       ALA  44  -5.545  -2.742  -2.843
  320   2HB   ALA  44          2HB       ALA  44  -4.078  -2.125  -3.640
  321   3HB   ALA  44          3HB       ALA  44  -4.233  -2.035  -1.869
  322    H    HIS  45           HN       HIS  45  -6.969  -0.327  -5.003
  323    HA   HIS  45           HA       HIS  45  -4.822   0.779  -6.634
  324   1HB   HIS  45          2HB       HIS  45  -7.479  -0.502  -7.290
  325   2HB   HIS  45          3HB       HIS  45  -6.547   0.373  -8.489
  326    HD1  HIS  45           HD1      HIS  45  -6.064  -2.568  -6.077
  327    HD2  HIS  45           HD2      HIS  45  -4.680  -1.160  -9.778
  328    HE1  HIS  45           HE1      HIS  45  -4.545  -4.392  -7.012
  329    H    LYS  46           HN       LYS  46  -7.065   1.898  -4.494
  330    HA   LYS  46           HA       LYS  46  -7.685   4.241  -6.151
  331   1HB   LYS  46          2HB       LYS  46  -9.356   2.573  -4.554
  332   2HB   LYS  46          3HB       LYS  46  -9.265   4.132  -3.759
  333   1HG   LYS  46          2HG       LYS  46 -10.264   5.264  -5.535
  334   2HG   LYS  46          3HG       LYS  46  -9.627   4.164  -6.742
  335   1HD   LYS  46          2HD       LYS  46 -11.301   2.523  -6.321
  336   2HD   LYS  46          3HD       LYS  46 -11.686   3.181  -4.743
  337   1HE   LYS  46          2HE       LYS  46 -13.201   4.651  -5.609
  338   2HE   LYS  46          3HE       LYS  46 -12.094   5.182  -6.859
  339   1HZ   LYS  46          1HZ       LYS  46 -13.379   4.045  -8.225
  340   2HZ   LYS  46          2HZ       LYS  46 -12.778   2.666  -7.589
  341   3HZ   LYS  46          3HZ       LYS  46 -14.180   3.285  -7.024
  342    H    ASP  47           HN       ASP  47  -8.363   5.978  -3.994
  343    HA   ASP  47           HA       ASP  47  -6.126   7.265  -3.514
  344   1HB   ASP  47          2HB       ASP  47  -8.183   6.843  -1.302
  345   2HB   ASP  47          3HB       ASP  47  -7.185   8.261  -1.552
  346    H    ALA  48           HN       ALA  48  -7.216   4.250  -1.965
  347    HA   ALA  48           HA       ALA  48  -5.895   4.096   0.355
  348   1HB   ALA  48          1HB       ALA  48  -5.669   1.824  -1.622
  349   2HB   ALA  48          2HB       ALA  48  -6.042   1.772   0.117
  350   3HB   ALA  48          3HB       ALA  48  -7.267   2.348  -1.039
  351    H    CYS  49           HN       CYS  49  -4.418   3.388  -2.892
  352    HA   CYS  49           HA       CYS  49  -1.838   4.001  -1.644
  353   1HB   CYS  49          2HB       CYS  49  -2.107   2.093  -3.950
  354   2HB   CYS  49          3HB       CYS  49  -0.759   2.315  -2.854
  355    H    LYS  50           HN       LYS  50  -3.814   3.832  -4.683
  356    HA   LYS  50           HA       LYS  50  -2.294   5.078  -6.473
  357   1HB   LYS  50          2HB       LYS  50  -5.131   4.774  -5.999
  358   2HB   LYS  50          3HB       LYS  50  -4.809   6.336  -6.726
  359   1HG   LYS  50          2HG       LYS  50  -3.576   3.772  -7.817
  360   2HG   LYS  50          3HG       LYS  50  -5.152   4.333  -8.335
  361   1HD   LYS  50          2HD       LYS  50  -4.142   6.510  -9.051
  362   2HD   LYS  50          3HD       LYS  50  -2.566   5.947  -8.534
  363   1HE   LYS  50          2HE       LYS  50  -2.339   4.476 -10.325
  364   2HE   LYS  50          3HE       LYS  50  -4.058   4.153 -10.423
  365   1HZ   LYS  50          1HZ       LYS  50  -3.561   5.458 -12.253
  366   2HZ   LYS  50          2HZ       LYS  50  -4.239   6.520 -11.214
  367   3HZ   LYS  50          3HZ       LYS  50  -2.619   6.498 -11.417
  368    H    THR  51           HN       THR  51  -4.307   6.839  -4.013
  369    HA   THR  51           HA       THR  51  -3.203   9.360  -4.707
  370    HB   THR  51           HB       THR  51  -4.841   8.258  -2.374
  371    HG1  THR  51           HG1      THR  51  -5.503   8.658  -4.784
  372   1HG2  THR  51          1HG       THR  51  -4.699  11.203  -2.967
  373   2HG2  THR  51          2HG       THR  51  -5.000  10.378  -1.420
  374   3HG2  THR  51          3HG       THR  51  -3.341  10.512  -2.049
  375    H    CYS  52           HN       CYS  52  -2.688   7.213  -1.824
  376    HA   CYS  52           HA       CYS  52  -0.528   8.825  -0.948
  377   1HB   CYS  52          2HB       CYS  52  -2.128   7.245   0.382
  378   2HB   CYS  52          3HB       CYS  52  -0.974   5.998  -0.046
  379    H    HIS  53           HN       HIS  53   1.129   8.952  -2.503
  380    HA   HIS  53           HA       HIS  53   3.085   7.161  -2.616
  381   1HB   HIS  53          2HB       HIS  53   0.834   6.189  -4.226
  382   2HB   HIS  53          3HB       HIS  53   2.328   6.290  -5.135
  383    HD1  HIS  53           HD1      HIS  53   2.483   3.680  -5.243
  384    HD2  HIS  53           HD2      HIS  53   2.598   5.269  -1.363
  385    HE1  HIS  53           HE1      HIS  53   3.252   1.785  -3.718
  386    H    LYS  54           HN       LYS  54   0.976   9.323  -4.527
  387    HA   LYS  54           HA       LYS  54   3.351  10.326  -5.911
  388   1HB   LYS  54          2HB       LYS  54   1.670  11.450  -7.391
  389   2HB   LYS  54          3HB       LYS  54   1.641   9.699  -7.440
  390   1HG   LYS  54          2HG       LYS  54  -0.367   9.561  -6.176
  391   2HG   LYS  54          3HG       LYS  54  -0.175  11.171  -5.510
  392   1HD   LYS  54          2HD       LYS  54  -0.760  12.222  -7.604
  393   2HD   LYS  54          3HD       LYS  54  -0.583  10.724  -8.494
  394   1HE   LYS  54          2HE       LYS  54  -2.579  10.741  -6.242
  395   2HE   LYS  54          3HE       LYS  54  -2.995  11.656  -7.677
  396   1HZ   LYS  54          1HZ       LYS  54  -3.715   9.637  -8.296
  397   2HZ   LYS  54          2HZ       LYS  54  -2.173   9.444  -8.794
  398   3HZ   LYS  54          3HZ       LYS  54  -2.656   8.808  -7.370
  399    H    SER  55           HN       SER  55   3.762  11.063  -3.475
  400    HA   SER  55           HA       SER  55   2.616  13.741  -3.313
  401   1HB   SER  55          2HB       SER  55   2.088  11.820  -1.484
  402   2HB   SER  55          3HB       SER  55   3.609  12.386  -0.821
  403    HG   SER  55           HG       SER  55   1.106  13.633  -0.869
  404    H    ASN  56           HN       ASN  56   5.395  11.582  -2.430
  405    HA   ASN  56           HA       ASN  56   7.070  13.961  -2.467
  406   1HB   ASN  56          2HB       ASN  56   6.970  11.583  -0.774
  407   2HB   ASN  56          3HB       ASN  56   8.544  11.676  -1.539
  408   1HD2  ASN  56          1HD       ASN  56   9.299  14.124  -1.695
  409   2HD2  ASN  56          2HD       ASN  56   9.305  14.973  -0.185
  410    H    ASN  57           HN       ASN  57   7.228  10.382  -3.186
  411    HA   ASN  57           HA       ASN  57   8.046  10.873  -5.838
  412   1HB   ASN  57          2HB       ASN  57  10.279   9.562  -5.498
  413   2HB   ASN  57          3HB       ASN  57  10.262  11.247  -5.020
  414   1HD2  ASN  57          1HD       ASN  57  11.102  11.682  -3.141
  415   2HD2  ASN  57          2HD       ASN  57  11.196  10.642  -1.759
  416    H    GLY  58           HN       GLY  58   7.182   9.109  -6.954
  417   1HA   GLY  58          1HA       GLY  58   7.570   6.432  -6.284
  418   2HA   GLY  58          2HA       GLY  58   6.040   6.919  -5.582
  419    HA   PRO  59           HA       PRO  59   5.667   6.147 -10.169
  420   1HB   PRO  59          2HB       PRO  59   5.004   3.499 -10.294
  421   2HB   PRO  59          3HB       PRO  59   6.626   4.095 -10.583
  422   1HG   PRO  59          2HG       PRO  59   5.564   2.695  -8.207
  423   2HG   PRO  59          3HG       PRO  59   7.232   2.917  -8.697
  424   1HD   PRO  59          2HD       PRO  59   5.847   4.344  -6.629
  425   2HD   PRO  59          3HD       PRO  59   7.477   4.643  -7.198
  426    H    THR  60           HN       THR  60   3.790   6.557 -11.240
  427    HA   THR  60           HA       THR  60   1.364   5.624  -9.929
  428    HB   THR  60           HB       THR  60   1.728   7.769  -8.820
  429    HG1  THR  60           HG1      THR  60  -0.432   7.535  -9.564
  430   1HG2  THR  60          1HG       THR  60   1.647   9.810 -10.580
  431   2HG2  THR  60          2HG       THR  60   3.199   9.121 -10.050
  432   3HG2  THR  60          3HG       THR  60   2.498   8.635 -11.611
  433    H    LYS  61           HN       LYS  61   3.093   5.334 -12.512
  434    HA   LYS  61           HA       LYS  61   1.347   6.370 -14.525
  435   1HB   LYS  61          2HB       LYS  61   3.000   5.833 -15.969
  436   2HB   LYS  61          3HB       LYS  61   3.963   5.773 -14.507
  437   1HG   LYS  61          2HG       LYS  61   3.327   3.270 -14.352
  438   2HG   LYS  61          3HG       LYS  61   2.693   3.425 -15.978
  439   1HD   LYS  61          2HD       LYS  61   4.773   3.356 -16.894
  440   2HD   LYS  61          3HD       LYS  61   5.365   4.606 -15.818
  441   1HE   LYS  61          2HE       LYS  61   5.079   2.360 -14.138
  442   2HE   LYS  61          3HE       LYS  61   5.687   1.684 -15.636
  443   1HZ   LYS  61          1HZ       LYS  61   7.643   2.388 -14.931
  444   2HZ   LYS  61          2HZ       LYS  61   7.168   3.911 -15.280
  445   3HZ   LYS  61          3HZ       LYS  61   7.013   3.336 -13.760
  446    H    CYS  62           HN       CYS  62   1.664   3.420 -12.604
  447    HA   CYS  62           HA       CYS  62  -0.882   2.560 -13.299
  448   1HB   CYS  62          2HB       CYS  62  -0.015   1.995 -15.466
  449   2HB   CYS  62          3HB       CYS  62   1.344   1.139 -14.765
  450    H    GLY  63           HN       GLY  63   1.440  -0.044 -13.234
  451   1HA   GLY  63          1HA       GLY  63   0.650  -1.036 -10.765
  452   2HA   GLY  63          2HA       GLY  63   2.114  -1.462 -11.629
  453    H    GLY  64           HN       GLY  64   3.983   0.213 -11.474
  454   1HA   GLY  64          1HA       GLY  64   5.392   1.466 -10.242
  455   2HA   GLY  64          2HA       GLY  64   4.023   2.055  -9.321
  456    H    CYS  65           HN       CYS  65   2.959   0.014  -7.950
  457    HA   CYS  65           HA       CYS  65   5.139  -0.745  -6.217
  458   1HB   CYS  65          2HB       CYS  65   3.188  -1.632  -4.806
  459   2HB   CYS  65          3HB       CYS  65   3.399   0.101  -4.969
  460    H    HIS  66           HN       HIS  66   3.789  -1.918  -9.024
  461    HA   HIS  66           HA       HIS  66   3.766  -4.694  -8.152
  462   1HB   HIS  66          2HB       HIS  66   2.704  -3.202 -10.526
  463   2HB   HIS  66          3HB       HIS  66   3.064  -4.908 -10.696
  464    HD1  HIS  66           HD1      HIS  66   1.497  -6.599  -9.531
  465    HD2  HIS  66           HD2      HIS  66   0.555  -2.591  -8.731
  466    HE1  HIS  66           HE1      HIS  66  -0.791  -6.615  -8.402
  467    H    ILE  67           HN       ILE  67   5.258  -6.231  -8.879
  468    HA   ILE  67           HA       ILE  67   7.598  -5.061 -10.192
  469    HB   ILE  67           HB       ILE  67   7.204  -7.376  -8.318
  470   1HG1  ILE  67          2HG       ILE  67   9.363  -5.955  -7.457
  471   2HG1  ILE  67          3HG       ILE  67   8.427  -4.681  -8.215
  472   1HG2  ILE  67          1HG       ILE  67   9.925  -7.275  -8.898
  473   2HG2  ILE  67          2HG       ILE  67   8.771  -8.540  -9.383
  474   3HG2  ILE  67          3HG       ILE  67   9.129  -7.191 -10.488
  475   1HD1  ILE  67          1HD       ILE  67   6.451  -5.252  -6.870
  476   2HD1  ILE  67          2HD       ILE  67   7.301  -6.651  -6.172
  477   3HD1  ILE  67          3HD       ILE  67   7.848  -5.000  -5.796
  478    H    LYS  68           HN       LYS  68   6.950  -5.135 -12.367
  479    HA   LYS  68           HA       LYS  68   7.377  -7.575 -13.660
  480   1HB   LYS  68          2HB       LYS  68   5.184  -8.198 -12.779
  481   2HB   LYS  68          3HB       LYS  68   4.463  -6.755 -13.464
  482   1HG   LYS  68          2HG       LYS  68   4.768  -7.513 -15.707
  483   2HG   LYS  68          3HG       LYS  68   5.973  -8.697 -15.244
  484   1HD   LYS  68          2HD       LYS  68   3.640  -9.372 -13.756
  485   2HD   LYS  68          3HD       LYS  68   3.068  -8.982 -15.367
  486   1HE   LYS  68          2HE       LYS  68   5.427 -10.540 -15.749
  487   2HE   LYS  68          3HE       LYS  68   4.540 -11.337 -14.465
  488   1HZ   LYS  68          1HZ       LYS  68   2.661 -11.506 -15.835
  489   2HZ   LYS  68          2HZ       LYS  68   3.265 -10.498 -16.970
  490   3HZ   LYS  68          3HZ       LYS  68   3.919 -11.979 -16.763
  491    HHA  HEC  98           HGM      HEC  98  -4.360  -6.136   8.311
  492    HHB  HEC  98           HDM      HEC  98  -1.782  -3.491  13.344
  493    HHC  HEC  98           HAM      HEC  98   1.146   0.640   9.541
  494    HHD  HEC  98           HBM      HEC  98  -1.876  -1.836   4.688
  495   1HMA  HEC  98          1HM       HEC  98  -4.029  -6.151  13.694
  496   2HMA  HEC  98          2HM       HEC  98  -2.501  -7.008  13.385
  497   3HMA  HEC  98          3HM       HEC  98  -2.476  -5.344  14.013
  498   1HAA  HEC  98          1HA       HEC  98  -4.477  -7.794  11.629
  499   2HAA  HEC  98          2HA       HEC  98  -5.124  -7.199  10.082
  500   1HBA  HEC  98          3HB       HEC  98  -3.981  -9.043   9.223
  501   2HBA  HEC  98          4HB       HEC  98  -2.591  -7.932   9.284
  502   1HMB  HEC  98          1HM       HEC  98  -1.179  -0.490  14.560
  503   2HMB  HEC  98          2HM       HEC  98  -0.925  -2.250  14.618
  504   3HMB  HEC  98          3HM       HEC  98   0.464  -1.147  14.750
  505    HAB  HEC  98           HT2      HEC  98   1.630   1.171  11.423
  506   1HBB  HEC  98          1HT       HEC  98   2.723  -0.097  13.848
  507   2HBB  HEC  98          2HT       HEC  98   3.050  -0.740  12.222
  508   3HBB  HEC  98          3HT       HEC  98   3.482   0.940  12.617
  509   1HMC  HEC  98          1HM       HEC  98   2.044   1.598   8.079
  510   2HMC  HEC  98          2HM       HEC  98   2.079   1.674   6.301
  511   3HMC  HEC  98          3HM       HEC  98   0.885   2.631   7.209
  512    HAC  HEC  98           HT4      HEC  98  -1.294   0.200   4.150
  513   1HBC  HEC  98          1HT       HEC  98   0.777  -0.301   3.217
  514   2HBC  HEC  98          2HT       HEC  98   0.732   1.467   3.009
  515   3HBC  HEC  98          3HT       HEC  98   1.664   0.751   4.346
  516   1HMD  HEC  98          1HM       HEC  98  -2.581  -3.214   3.199
  517   2HMD  HEC  98          2HM       HEC  98  -3.765  -4.542   3.185
  518   3HMD  HEC  98          3HM       HEC  98  -4.304  -2.873   3.486
  519   1HAD  HEC  98          1HA       HEC  98  -4.648  -6.801   6.161
  520   2HAD  HEC  98          2HA       HEC  98  -5.352  -5.792   4.876
  521   1HBD  HEC  98          3HB       HEC  98  -2.784  -6.199   3.986
  522   2HBD  HEC  98          4HB       HEC  98  -3.190  -7.747   4.765
  523    HHA  HEC 128           HGM      HEC 128   7.767   3.132  -1.201
  524    HHB  HEC 128           HDM      HEC 128   3.430  -1.015  -2.923
  525    HHC  HEC 128           HAM      HEC 128  -0.708   1.894   0.889
  526    HHD  HEC 128           HBM      HEC 128   3.616   6.205   2.129
  527   1HMA  HEC 128          1HM       HEC 128   7.236  -1.411  -3.690
  528   2HMA  HEC 128          2HM       HEC 128   5.970  -2.226  -2.741
  529   3HMA  HEC 128          3HM       HEC 128   5.542  -1.360  -4.235
  530   1HAA  HEC 128          1HA       HEC 128   8.926   1.108  -1.405
  531   2HAA  HEC 128          2HA       HEC 128   8.761  -0.183  -2.620
  532   1HBA  HEC 128          3HB       HEC 128   8.263   1.486  -4.386
  533   2HBA  HEC 128          4HB       HEC 128   8.273   2.802  -3.189
  534   1HMB  HEC 128          1HM       HEC 128   0.226  -1.103  -3.788
  535   2HMB  HEC 128          2HM       HEC 128   1.738  -1.927  -3.338
  536   3HMB  HEC 128          3HM       HEC 128   0.208  -2.381  -2.549
  537    HAB  HEC 128           HT2      HEC 128  -1.704   0.365   0.047
  538   1HBB  HEC 128          1HT       HEC 128  -2.375  -2.179  -0.371
  539   2HBB  HEC 128          2HT       HEC 128  -0.622  -2.296  -0.088
  540   3HBB  HEC 128          3HT       HEC 128  -1.664  -1.484   1.104
  541   1HMC  HEC 128          1HM       HEC 128  -1.819   4.891   2.297
  542   2HMC  HEC 128          2HM       HEC 128  -1.843   3.189   1.781
  543   3HMC  HEC 128          3HM       HEC 128  -1.332   3.610   3.431
  544    HAC  HEC 128           HT4      HEC 128   1.727   6.907   3.011
  545   1HBC  HEC 128          1HT       HEC 128   0.442   6.332   4.854
  546   2HBC  HEC 128          2HT       HEC 128  -0.665   7.453   4.025
  547   3HBC  HEC 128          3HT       HEC 128  -0.895   5.696   3.864
  548   1HMD  HEC 128          1HM       HEC 128   5.047   7.606   2.114
  549   2HMD  HEC 128          2HM       HEC 128   6.561   6.996   2.823
  550   3HMD  HEC 128          3HM       HEC 128   6.594   7.868   1.272
  551   1HAD  HEC 128          1HA       HEC 128   8.703   5.534  -0.413
  552   2HAD  HEC 128          2HA       HEC 128   8.470   6.335   1.159
  553   1HBD  HEC 128          3HB       HEC 128   8.890   4.287   2.331
  554   2HBD  HEC 128          4HB       HEC 128   8.936   3.371   0.804
  555    HHA  HEC 158           HGM      HEC 158  -3.137  -7.723  -6.293
  556    HHB  HEC 158           HDM      HEC 158  -3.023  -5.999 -12.292
  557    HHC  HEC 158           HAM      HEC 158  -1.628  -0.100 -10.458
  558    HHD  HEC 158           HBM      HEC 158  -1.333  -2.107  -4.567
  559   1HMA  HEC 158          1HM       HEC 158  -4.092  -7.809 -12.276
  560   2HMA  HEC 158          2HM       HEC 158  -3.536  -9.295 -11.471
  561   3HMA  HEC 158          3HM       HEC 158  -5.202  -8.719 -11.226
  562   1HAA  HEC 158          1HA       HEC 158  -4.199  -9.084  -7.115
  563   2HAA  HEC 158          2HA       HEC 158  -5.334  -9.376  -8.454
  564   1HBA  HEC 158          3HB       HEC 158  -2.639  -9.967  -9.385
  565   2HBA  HEC 158          4HB       HEC 158  -2.907 -10.829  -7.851
  566   1HMB  HEC 158          1HM       HEC 158  -1.451  -4.846 -14.049
  567   2HMB  HEC 158          2HM       HEC 158  -3.191  -4.543 -14.263
  568   3HMB  HEC 158          3HM       HEC 158  -2.005  -3.313 -14.761
  569    HAB  HEC 158           HT2      HEC 158  -1.081  -0.335 -12.703
  570   1HBB  HEC 158          1HT       HEC 158  -3.459   0.291 -14.027
  571   2HBB  HEC 158          2HT       HEC 158  -3.829  -0.243 -12.371
  572   3HBB  HEC 158          3HT       HEC 158  -2.653   1.064 -12.642
  573   1HMC  HEC 158          1HM       HEC 158  -1.486   1.654  -9.500
  574   2HMC  HEC 158          2HM       HEC 158  -1.235   2.308  -7.863
  575   3HMC  HEC 158          3HM       HEC 158   0.146   1.674  -8.789
  576    HAC  HEC 158           HT4      HEC 158  -0.972   0.505  -4.662
  577   1HBC  HEC 158          1HT       HEC 158  -0.706   2.535  -5.956
  578   2HBC  HEC 158          2HT       HEC 158   0.790   2.274  -5.026
  579   3HBC  HEC 158          3HT       HEC 158   0.743   1.891  -6.764
  580   1HMD  HEC 158          1HM       HEC 158  -1.700  -2.896  -2.706
  581   2HMD  HEC 158          2HM       HEC 158  -2.214  -4.464  -2.037
  582   3HMD  HEC 158          3HM       HEC 158  -0.526  -4.224  -2.545
  583   1HAD  HEC 158          1HA       HEC 158  -2.852  -6.334  -2.502
  584   2HAD  HEC 158          2HA       HEC 158  -3.980  -7.012  -3.699
  585   1HBD  HEC 158          3HB       HEC 158  -1.829  -8.186  -4.617
  586   2HBD  HEC 158          4HB       HEC 158  -1.212  -7.872  -2.977
  Start of MODEL    8
    1    H    ALA   1           HN       ALA   1   2.554  -7.749  10.083
    2    HA   ALA   1           HA       ALA   1   4.674  -9.155  11.002
    3   1HB   ALA   1          1HB       ALA   1   5.591  -9.972   8.675
    4   2HB   ALA   1          2HB       ALA   1   4.461 -11.001   9.587
    5   3HB   ALA   1          3HB       ALA   1   3.870 -10.019   8.225
    6    H    ASP   2           HN       ASP   2   6.569  -7.921  10.774
    7    HA   ASP   2           HA       ASP   2   6.395  -5.329  10.355
    8   1HB   ASP   2          2HB       ASP   2   8.728  -7.152   9.616
    9   2HB   ASP   2          3HB       ASP   2   8.875  -5.408   9.701
   10    H    VAL   3           HN       VAL   3   7.452  -7.758   7.847
   11    HA   VAL   3           HA       VAL   3   6.815  -5.756   5.794
   12    HB   VAL   3           HB       VAL   3   8.781  -8.042   5.877
   13   1HG1  VAL   3          1HG       VAL   3   7.762  -6.466   3.504
   14   2HG1  VAL   3          2HG       VAL   3   9.353  -7.264   3.506
   15   3HG1  VAL   3          3HG       VAL   3   7.873  -8.231   3.705
   16   1HG2  VAL   3          1HG       VAL   3   9.161  -5.073   5.360
   17   2HG2  VAL   3          2HG       VAL   3   9.488  -5.903   6.899
   18   3HG2  VAL   3          3HG       VAL   3  10.441  -6.307   5.451
   19    H    VAL   4           HN       VAL   4   5.790  -6.585   3.797
   20    HA   VAL   4           HA       VAL   4   4.379  -9.114   4.216
   21    HB   VAL   4           HB       VAL   4   3.154  -6.451   3.479
   22   1HG1  VAL   4          1HG       VAL   4   1.972  -7.866   2.086
   23   2HG1  VAL   4          2HG       VAL   4   2.142  -9.263   3.176
   24   3HG1  VAL   4          3HG       VAL   4   1.001  -7.957   3.574
   25   1HG2  VAL   4          1HG       VAL   4   3.252  -8.095   5.941
   26   2HG2  VAL   4          2HG       VAL   4   3.014  -6.343   5.734
   27   3HG2  VAL   4          3HG       VAL   4   1.648  -7.460   5.506
   28    H    THR   5           HN       THR   5   3.854 -10.234   2.268
   29    HA   THR   5           HA       THR   5   4.641  -8.999  -0.237
   30    HB   THR   5           HB       THR   5   6.224 -11.083   1.244
   31    HG1  THR   5           HG1      THR   5   6.899  -8.848   0.697
   32   1HG2  THR   5          1HG       THR   5   7.114 -11.494  -1.302
   33   2HG2  THR   5          2HG       THR   5   5.942 -12.580  -0.519
   34   3HG2  THR   5          3HG       THR   5   5.375 -11.312  -1.632
   35    H    TYR   6           HN       TYR   6   3.182  -9.476  -1.751
   36    HA   TYR   6           HA       TYR   6   1.617 -11.934  -1.322
   37   1HB   TYR   6          2HB       TYR   6   0.952  -9.212  -2.612
   38   2HB   TYR   6          3HB       TYR   6  -0.177 -10.548  -2.513
   39    HD1  TYR   6           HD1      TYR   6   0.695  -7.521  -1.053
   40    HD2  TYR   6           HD2      TYR   6  -0.434 -11.503   0.029
   41    HE1  TYR   6           HE1      TYR   6  -0.104  -6.686   1.211
   42    HE2  TYR   6           HE2      TYR   6  -1.230 -10.654   2.291
   43    HH   TYR   6           HH       TYR   6  -0.946  -7.209   3.124
   44    H    GLU   7           HN       GLU   7   1.471 -13.378  -3.003
   45    HA   GLU   7           HA       GLU   7   3.104 -12.761  -5.285
   46   1HB   GLU   7          2HB       GLU   7   1.761 -15.286  -4.261
   47   2HB   GLU   7          3HB       GLU   7   2.499 -15.230  -5.850
   48   1HG   GLU   7          2HG       GLU   7   4.683 -14.791  -4.951
   49   2HG   GLU   7          3HG       GLU   7   4.040 -14.343  -3.383
   50    H    ASN   8           HN       ASN   8   2.366 -12.742  -7.475
   51    HA   ASN   8           HA       ASN   8  -0.434 -13.128  -7.923
   52   1HB   ASN   8          2HB       ASN   8   0.895 -10.426  -8.503
   53   2HB   ASN   8          3HB       ASN   8  -0.741 -10.861  -8.957
   54   1HD2  ASN   8          1HD       ASN   8   1.071  -9.261  -6.760
   55   2HD2  ASN   8          2HD       ASN   8   0.023  -9.252  -5.383
   56    H    LYS   9           HN       LYS   9  -0.842 -12.646 -10.445
   57    HA   LYS   9           HA       LYS   9   1.520 -13.650 -11.854
   58   1HB   LYS   9          2HB       LYS   9  -0.802 -14.863 -11.758
   59   2HB   LYS   9          3HB       LYS   9  -1.273 -13.685 -12.966
   60   1HG   LYS   9          2HG       LYS   9   0.653 -14.364 -14.400
   61   2HG   LYS   9          3HG       LYS   9   1.160 -15.521 -13.186
   62   1HD   LYS   9          2HD       LYS   9  -1.181 -16.590 -13.412
   63   2HD   LYS   9          3HD       LYS   9  -1.414 -15.571 -14.818
   64   1HE   LYS   9          2HE       LYS   9   0.646 -16.552 -15.863
   65   2HE   LYS   9          3HE       LYS   9   0.860 -17.584 -14.462
   66   1HZ   LYS   9          1HZ       LYS   9  -0.722 -18.060 -16.654
   67   2HZ   LYS   9          2HZ       LYS   9  -0.596 -18.978 -15.309
   68   3HZ   LYS   9          3HZ       LYS   9  -1.756 -17.832 -15.411
   69    H    LYS  10           HN       LYS  10   1.048 -10.805 -11.009
   70    HA   LYS  10           HA       LYS  10   1.588  -9.664 -13.589
   71   1HB   LYS  10          2HB       LYS  10  -0.900  -9.626 -13.475
   72   2HB   LYS  10          3HB       LYS  10  -0.802  -8.667 -12.012
   73   1HG   LYS  10          2HG       LYS  10  -0.621  -6.793 -13.270
   74   2HG   LYS  10          3HG       LYS  10   0.907  -7.375 -13.897
   75   1HD   LYS  10          2HD       LYS  10  -1.550  -8.585 -15.115
   76   2HD   LYS  10          3HD       LYS  10  -1.278  -6.890 -15.466
   77   1HE   LYS  10          2HE       LYS  10   1.158  -7.576 -16.081
   78   2HE   LYS  10          3HE       LYS  10   0.579  -9.230 -16.055
   79   1HZ   LYS  10          1HZ       LYS  10   0.486  -7.968 -18.226
   80   2HZ   LYS  10          2HZ       LYS  10  -0.846  -8.813 -17.803
   81   3HZ   LYS  10          3HZ       LYS  10  -0.814  -7.191 -17.617
   82    H    GLY  11           HN       GLY  11   3.535  -9.942 -11.918
   83   1HA   GLY  11          1HA       GLY  11   5.149  -8.717 -10.909
   84   2HA   GLY  11          2HA       GLY  11   4.141  -7.289 -11.035
   85    H    ASN  12           HN       ASN  12   5.786  -8.657  -8.758
   86    HA   ASN  12           HA       ASN  12   3.802  -9.393  -6.879
   87   1HB   ASN  12          2HB       ASN  12   6.592  -9.682  -7.113
   88   2HB   ASN  12          3HB       ASN  12   6.428  -8.551  -5.786
   89   1HD2  ASN  12          1HD       ASN  12   5.380 -11.682  -7.031
   90   2HD2  ASN  12          2HD       ASN  12   5.053 -12.441  -5.509
   91    H    VAL  13           HN       VAL  13   2.950  -8.080  -5.172
   92    HA   VAL  13           HA       VAL  13   3.735  -5.250  -5.298
   93    HB   VAL  13           HB       VAL  13   1.452  -5.795  -6.094
   94   1HG1  VAL  13          1HG       VAL  13  -0.060  -6.996  -4.928
   95   2HG1  VAL  13          2HG       VAL  13   1.361  -7.607  -4.050
   96   3HG1  VAL  13          3HG       VAL  13   0.406  -6.267  -3.372
   97   1HG2  VAL  13          1HG       VAL  13   0.275  -4.119  -4.629
   98   2HG2  VAL  13          2HG       VAL  13   1.710  -4.123  -3.576
   99   3HG2  VAL  13          3HG       VAL  13   1.848  -3.579  -5.265
  100    H    THR  14           HN       THR  14   5.516  -6.431  -3.842
  101    HA   THR  14           HA       THR  14   4.869  -7.279  -1.278
  102    HB   THR  14           HB       THR  14   7.296  -6.102  -2.671
  103    HG1  THR  14           HG1      THR  14   6.508  -8.548  -1.248
  104   1HG2  THR  14          1HG       THR  14   8.561  -6.837  -0.546
  105   2HG2  THR  14          2HG       THR  14   7.674  -5.300  -0.408
  106   3HG2  THR  14          3HG       THR  14   6.993  -6.788   0.295
  107    H    PHE  15           HN       PHE  15   4.166  -6.336   0.538
  108    HA   PHE  15           HA       PHE  15   3.956  -3.423   0.461
  109   1HB   PHE  15          2HB       PHE  15   2.511  -5.783   1.680
  110   2HB   PHE  15          3HB       PHE  15   2.516  -4.322   2.647
  111    HD1  PHE  15           HD1      PHE  15   0.038  -4.334   2.414
  112    HD2  PHE  15           HD2      PHE  15   2.595  -3.874  -0.942
  113    HE1  PHE  15           HE1      PHE  15  -1.885  -3.440   1.072
  114    HE2  PHE  15           HE2      PHE  15   0.672  -2.980  -2.284
  115    HZ   PHE  15           HZ       PHE  15  -1.545  -2.773  -1.261
  116    H    ASP  16           HN       ASP  16   3.846  -2.595   2.985
  117    HA   ASP  16           HA       ASP  16   6.046  -3.829   4.401
  118   1HB   ASP  16          2HB       ASP  16   5.900  -0.966   3.409
  119   2HB   ASP  16          3HB       ASP  16   6.774  -1.322   4.885
  120    H    HIS  17           HN       HIS  17   5.665  -3.766   6.662
  121    HA   HIS  17           HA       HIS  17   3.297  -2.246   7.469
  122   1HB   HIS  17          2HB       HIS  17   3.916  -4.960   7.752
  123   2HB   HIS  17          3HB       HIS  17   4.205  -4.286   9.344
  124    HD1  HIS  17           HD1      HIS  17   1.575  -5.739   7.419
  125    HD2  HIS  17           HD2      HIS  17   1.791  -2.553  10.139
  126    HE1  HIS  17           HE1      HIS  17  -0.808  -5.335   8.236
  127    H    LYS  18           HN       LYS  18   6.481  -3.443   8.767
  128    HA   LYS  18           HA       LYS  18   6.489  -1.214  10.620
  129   1HB   LYS  18          2HB       LYS  18   7.059  -3.470  11.416
  130   2HB   LYS  18          3HB       LYS  18   8.391  -3.552  10.281
  131   1HG   LYS  18          2HG       LYS  18   8.563  -1.076  11.812
  132   2HG   LYS  18          3HG       LYS  18   8.410  -2.433  12.909
  133   1HD   LYS  18          2HD       LYS  18  10.237  -3.398  11.037
  134   2HD   LYS  18          3HD       LYS  18  10.661  -1.700  11.123
  135   1HE   LYS  18          2HE       LYS  18  11.967  -2.790  12.823
  136   2HE   LYS  18          3HE       LYS  18  10.701  -1.927  13.672
  137   1HZ   LYS  18          1HZ       LYS  18  10.479  -4.755  12.920
  138   2HZ   LYS  18          2HZ       LYS  18  11.024  -4.251  14.374
  139   3HZ   LYS  18          3HZ       LYS  18   9.491  -3.921  13.917
  140    H    ALA  19           HN       ALA  19   8.037  -2.348   7.618
  141    HA   ALA  19           HA       ALA  19  10.138  -0.447   7.681
  142   1HB   ALA  19          1HB       ALA  19   9.713  -1.151   5.023
  143   2HB   ALA  19          2HB       ALA  19  10.764  -2.010   6.175
  144   3HB   ALA  19          3HB       ALA  19   9.087  -2.554   5.923
  145    H    HIS  20           HN       HIS  20   6.731  -0.438   6.695
  146    HA   HIS  20           HA       HIS  20   7.075   2.051   5.267
  147   1HB   HIS  20          2HB       HIS  20   5.203  -0.112   5.247
  148   2HB   HIS  20          3HB       HIS  20   4.326   1.356   5.633
  149    HD1  HIS  20           HD1      HIS  20   7.248   0.868   3.190
  150    HD2  HIS  20           HD2      HIS  20   3.244   2.119   3.243
  151    HE1  HIS  20           HE1      HIS  20   6.718   1.667   0.826
  152    H    ALA  21           HN       ALA  21   5.301   0.797   8.177
  153    HA   ALA  21           HA       ALA  21   4.117   3.028   9.073
  154   1HB   ALA  21          1HB       ALA  21   4.765   2.089  11.413
  155   2HB   ALA  21          2HB       ALA  21   3.828   1.048  10.314
  156   3HB   ALA  21          3HB       ALA  21   5.580   0.797  10.500
  157    H    GLU  22           HN       GLU  22   7.599   2.387   8.881
  158    HA   GLU  22           HA       GLU  22   8.571   4.136  10.693
  159   1HB   GLU  22          2HB       GLU  22   9.612   3.538   7.891
  160   2HB   GLU  22          3HB       GLU  22  10.549   4.351   9.128
  161   1HG   GLU  22          2HG       GLU  22   9.488   2.018  10.380
  162   2HG   GLU  22          3HG       GLU  22  10.033   1.498   8.797
  163    H    LYS  23           HN       LYS  23   7.602   4.844   7.267
  164    HA   LYS  23           HA       LYS  23   7.912   7.683   7.815
  165   1HB   LYS  23          2HB       LYS  23   7.605   6.008   5.338
  166   2HB   LYS  23          3HB       LYS  23   7.220   7.717   5.284
  167   1HG   LYS  23          2HG       LYS  23   9.671   7.605   6.686
  168   2HG   LYS  23          3HG       LYS  23   9.847   6.405   5.421
  169   1HD   LYS  23          2HD       LYS  23   8.625   8.587   4.116
  170   2HD   LYS  23          3HD       LYS  23   9.771   9.340   5.208
  171   1HE   LYS  23          2HE       LYS  23  11.065   7.055   3.992
  172   2HE   LYS  23          3HE       LYS  23  10.310   7.993   2.719
  173   1HZ   LYS  23          1HZ       LYS  23  11.436   9.855   4.315
  174   2HZ   LYS  23          2HZ       LYS  23  12.539   8.651   4.334
  175   3HZ   LYS  23          3HZ       LYS  23  12.062   9.300   2.913
  176    H    LEU  24           HN       LEU  24   5.423   5.201   7.063
  177    HA   LEU  24           HA       LEU  24   3.308   7.068   6.880
  178   1HB   LEU  24          2HB       LEU  24   3.384   4.085   7.336
  179   2HB   LEU  24          3HB       LEU  24   1.901   5.001   7.142
  180    HG   LEU  24           HG       LEU  24   2.981   5.801   4.896
  181   1HD1  LEU  24          1HD       LEU  24   4.593   3.311   5.501
  182   2HD1  LEU  24          2HD       LEU  24   4.413   4.018   3.877
  183   3HD1  LEU  24          3HD       LEU  24   5.198   4.953   5.173
  184   1HD2  LEU  24          1HD       LEU  24   0.957   4.517   4.962
  185   2HD2  LEU  24          2HD       LEU  24   2.038   3.799   3.744
  186   3HD2  LEU  24          3HD       LEU  24   1.852   3.025   5.336
  187    H    GLY  25           HN       GLY  25   2.668   4.506   9.154
  188   1HA   GLY  25          1HA       GLY  25   3.207   4.987  11.585
  189   2HA   GLY  25          2HA       GLY  25   2.437   6.533  11.291
  190    H    CYS  26           HN       CYS  26   1.507   3.313   9.934
  191    HA   CYS  26           HA       CYS  26  -0.337   2.136  10.075
  192   1HB   CYS  26          2HB       CYS  26  -1.349   3.213  12.620
  193   2HB   CYS  26          3HB       CYS  26  -1.080   1.556  12.115
  194    H    ASP  27           HN       ASP  27  -1.477   5.005  11.987
  195    HA   ASP  27           HA       ASP  27  -3.880   5.306  10.998
  196   1HB   ASP  27          2HB       ASP  27  -1.838   7.538  11.418
  197   2HB   ASP  27          3HB       ASP  27  -3.558   7.824  11.247
  198    H    ALA  28           HN       ALA  28  -0.801   6.354   9.416
  199    HA   ALA  28           HA       ALA  28  -1.597   7.868   7.365
  200   1HB   ALA  28          1HB       ALA  28   0.535   7.502   6.753
  201   2HB   ALA  28          2HB       ALA  28   0.633   6.261   8.024
  202   3HB   ALA  28          3HB       ALA  28   0.181   5.802   6.366
  203    H    CYS  29           HN       CYS  29  -2.106   4.333   7.724
  204    HA   CYS  29           HA       CYS  29  -3.651   4.431   5.238
  205   1HB   CYS  29          2HB       CYS  29  -2.898   1.817   6.427
  206   2HB   CYS  29          3HB       CYS  29  -3.064   2.290   4.747
  207    H    HIS  30           HN       HIS  30  -3.487   2.751   8.471
  208    HA   HIS  30           HA       HIS  30  -6.227   2.111   8.441
  209   1HB   HIS  30          2HB       HIS  30  -4.367   2.256  10.827
  210   2HB   HIS  30          3HB       HIS  30  -5.868   1.358  10.713
  211    HD1  HIS  30           HD1      HIS  30  -5.865  -0.767   9.069
  212    HD2  HIS  30           HD2      HIS  30  -2.118   0.953   9.841
  213    HE1  HIS  30           HE1      HIS  30  -4.126  -2.487   8.344
  214    H    GLU  31           HN       GLU  31  -7.017   2.874  11.119
  215    HA   GLU  31           HA       GLU  31  -6.770   5.657  11.397
  216   1HB   GLU  31          2HB       GLU  31  -8.397   5.335   9.382
  217   2HB   GLU  31          3HB       GLU  31  -9.558   4.781  10.572
  218   1HG   GLU  31          2HG       GLU  31  -9.591   6.890  11.704
  219   2HG   GLU  31          3HG       GLU  31  -8.092   7.414  10.962
  220    H    GLY  32           HN       GLY  32  -6.353   5.270  13.581
  221   1HA   GLY  32          1HA       GLY  32  -6.762   4.765  15.732
  222   2HA   GLY  32          2HA       GLY  32  -8.446   5.088  15.373
  223    H    THR  33           HN       THR  33  -5.985   2.616  15.868
  224    HA   THR  33           HA       THR  33  -6.137   0.438  16.295
  225    HB   THR  33           HB       THR  33  -9.163   0.915  16.365
  226    HG1  THR  33           HG1      THR  33  -6.941   1.118  18.272
  227   1HG2  THR  33          1HG       THR  33  -8.440  -0.828  18.408
  228   2HG2  THR  33          2HG       THR  33  -9.137  -1.339  16.851
  229   3HG2  THR  33          3HG       THR  33  -7.371  -1.352  17.083
  230    HA   PRO  34           HA       PRO  34  -6.646  -0.735  12.103
  231   1HB   PRO  34          2HB       PRO  34  -4.580  -2.522  12.042
  232   2HB   PRO  34          3HB       PRO  34  -4.382  -0.817  11.690
  233   1HG   PRO  34          2HG       PRO  34  -3.610  -2.311  14.123
  234   2HG   PRO  34          3HG       PRO  34  -3.056  -0.740  13.577
  235   1HD   PRO  34          2HD       PRO  34  -4.954  -1.260  15.664
  236   2HD   PRO  34          3HD       PRO  34  -4.487   0.309  15.039
  237    H    ALA  35           HN       ALA  35  -6.439  -3.154  11.029
  238    HA   ALA  35           HA       ALA  35  -7.313  -5.225  12.678
  239   1HB   ALA  35          1HB       ALA  35  -9.594  -4.024  11.081
  240   2HB   ALA  35          2HB       ALA  35  -9.660  -5.283  12.338
  241   3HB   ALA  35          3HB       ALA  35  -9.309  -3.596  12.785
  242    H    LYS  36           HN       LYS  36  -7.886  -3.705   9.428
  243    HA   LYS  36           HA       LYS  36  -6.249  -5.464   8.068
  244   1HB   LYS  36          2HB       LYS  36  -7.568  -7.170   7.233
  245   2HB   LYS  36          3HB       LYS  36  -8.115  -7.065   8.895
  246   1HG   LYS  36          2HG       LYS  36 -10.224  -6.744   8.129
  247   2HG   LYS  36          3HG       LYS  36  -9.716  -5.190   7.496
  248   1HD   LYS  36          2HD       LYS  36 -10.470  -6.179   5.530
  249   2HD   LYS  36          3HD       LYS  36  -8.785  -6.658   5.469
  250   1HE   LYS  36          2HE       LYS  36  -9.246  -8.883   5.979
  251   2HE   LYS  36          3HE       LYS  36 -10.632  -8.487   6.975
  252   1HZ   LYS  36          1HZ       LYS  36 -10.511  -8.978   4.167
  253   2HZ   LYS  36          2HZ       LYS  36 -11.767  -9.137   5.199
  254   3HZ   LYS  36          3HZ       LYS  36 -11.417  -7.676   4.557
  255    H    ILE  37           HN       ILE  37  -7.198  -5.520   5.548
  256    HA   ILE  37           HA       ILE  37  -8.591  -3.080   4.949
  257    HB   ILE  37           HB       ILE  37  -5.682  -3.398   4.198
  258   1HG1  ILE  37          2HG       ILE  37  -7.106  -1.502   6.081
  259   2HG1  ILE  37          3HG       ILE  37  -5.860  -2.668   6.477
  260   1HG2  ILE  37          1HG       ILE  37  -7.599  -1.168   3.471
  261   2HG2  ILE  37          2HG       ILE  37  -5.888  -1.316   3.004
  262   3HG2  ILE  37          3HG       ILE  37  -7.086  -2.472   2.374
  263   1HD1  ILE  37          1HD       ILE  37  -4.546  -1.247   4.549
  264   2HD1  ILE  37          2HD       ILE  37  -5.608   0.020   5.206
  265   3HD1  ILE  37          3HD       ILE  37  -4.481  -0.841   6.281
  266    H    ALA  38           HN       ALA  38  -9.507  -3.127   2.869
  267    HA   ALA  38           HA       ALA  38  -9.735  -5.727   1.756
  268   1HB   ALA  38          1HB       ALA  38 -10.792  -3.890  -0.067
  269   2HB   ALA  38          2HB       ALA  38 -11.676  -4.699   1.249
  270   3HB   ALA  38          3HB       ALA  38 -10.974  -3.085   1.510
  271    H    ILE  39           HN       ILE  39  -7.744  -6.497   1.005
  272    HA   ILE  39           HA       ILE  39  -6.569  -4.895  -1.161
  273    HB   ILE  39           HB       ILE  39  -5.181  -6.812   0.716
  274   1HG1  ILE  39          2HG       ILE  39  -5.896  -4.762   1.864
  275   2HG1  ILE  39          3HG       ILE  39  -4.152  -4.862   1.724
  276   1HG2  ILE  39          1HG       ILE  39  -3.788  -4.899  -1.129
  277   2HG2  ILE  39          2HG       ILE  39  -3.204  -6.415  -0.401
  278   3HG2  ILE  39          3HG       ILE  39  -4.372  -6.464  -1.744
  279   1HD1  ILE  39          1HD       ILE  39  -4.083  -2.902   0.595
  280   2HD1  ILE  39          2HD       ILE  39  -5.212  -3.531  -0.629
  281   3HD1  ILE  39          3HD       ILE  39  -5.840  -2.747   0.840
  282    H    ASP  40           HN       ASP  40  -7.175  -5.721  -3.087
  283    HA   ASP  40           HA       ASP  40  -6.548  -8.372  -3.696
  284   1HB   ASP  40          2HB       ASP  40  -8.591  -8.972  -2.531
  285   2HB   ASP  40          3HB       ASP  40  -9.483  -7.666  -3.287
  286    H    LYS  41           HN       LYS  41  -9.298  -6.146  -4.598
  287    HA   LYS  41           HA       LYS  41  -7.937  -5.054  -6.818
  288   1HB   LYS  41          2HB       LYS  41  -8.608  -7.546  -7.446
  289   2HB   LYS  41          3HB       LYS  41 -10.176  -6.820  -7.733
  290   1HG   LYS  41          2HG       LYS  41  -9.441  -5.599  -9.553
  291   2HG   LYS  41          3HG       LYS  41  -7.859  -5.306  -8.858
  292   1HD   LYS  41          2HD       LYS  41  -6.942  -7.161  -9.839
  293   2HD   LYS  41          3HD       LYS  41  -8.330  -8.165  -9.466
  294   1HE   LYS  41          2HE       LYS  41  -9.592  -7.088 -11.363
  295   2HE   LYS  41          3HE       LYS  41  -8.170  -6.141 -11.752
  296   1HZ   LYS  41          1HZ       LYS  41  -7.286  -7.871 -12.770
  297   2HZ   LYS  41          2HZ       LYS  41  -7.561  -8.892 -11.524
  298   3HZ   LYS  41          3HZ       LYS  41  -8.723  -8.636 -12.643
  299    H    LYS  42           HN       LYS  42  -8.827  -3.480  -5.060
  300    HA   LYS  42           HA       LYS  42 -10.972  -2.112  -6.215
  301   1HB   LYS  42          2HB       LYS  42 -12.093  -4.161  -5.021
  302   2HB   LYS  42          3HB       LYS  42 -11.805  -3.246  -3.556
  303   1HG   LYS  42          2HG       LYS  42 -13.671  -2.038  -3.999
  304   2HG   LYS  42          3HG       LYS  42 -12.855  -1.355  -5.392
  305   1HD   LYS  42          2HD       LYS  42 -13.643  -3.255  -6.803
  306   2HD   LYS  42          3HD       LYS  42 -14.428  -3.976  -5.412
  307   1HE   LYS  42          2HE       LYS  42 -15.343  -1.263  -5.536
  308   2HE   LYS  42          3HE       LYS  42 -15.415  -1.884  -7.174
  309   1HZ   LYS  42          1HZ       LYS  42 -17.008  -2.569  -4.944
  310   2HZ   LYS  42          2HZ       LYS  42 -17.270  -2.859  -6.530
  311   3HZ   LYS  42          3HZ       LYS  42 -16.376  -3.902  -5.646
  312    H    SER  43           HN       SER  43 -10.026  -2.689  -2.756
  313    HA   SER  43           HA       SER  43  -9.666   0.103  -2.424
  314   1HB   SER  43          2HB       SER  43 -10.063  -2.172  -0.750
  315   2HB   SER  43          3HB       SER  43  -8.526  -1.483  -0.267
  316    HG   SER  43           HG       SER  43  -9.609   0.603  -0.048
  317    H    ALA  44           HN       ALA  44  -7.615  -2.779  -2.945
  318    HA   ALA  44           HA       ALA  44  -5.168  -1.631  -2.222
  319   1HB   ALA  44          1HB       ALA  44  -4.693  -3.807  -2.527
  320   2HB   ALA  44          2HB       ALA  44  -6.193  -4.057  -3.452
  321   3HB   ALA  44          3HB       ALA  44  -4.717  -3.509  -4.282
  322    H    HIS  45           HN       HIS  45  -7.354  -0.845  -4.734
  323    HA   HIS  45           HA       HIS  45  -5.170   0.463  -6.186
  324   1HB   HIS  45          2HB       HIS  45  -7.461  -1.162  -7.164
  325   2HB   HIS  45          3HB       HIS  45  -7.088   0.284  -8.080
  326    HD1  HIS  45           HD1      HIS  45  -5.617  -0.251 -10.012
  327    HD2  HIS  45           HD2      HIS  45  -4.720  -2.613  -6.663
  328    HE1  HIS  45           HE1      HIS  45  -3.678  -1.761 -10.700
  329    H    LYS  46           HN       LYS  46  -7.398   1.023  -3.925
  330    HA   LYS  46           HA       LYS  46  -7.967   3.680  -4.997
  331   1HB   LYS  46          2HB       LYS  46 -10.018   1.780  -3.830
  332   2HB   LYS  46          3HB       LYS  46 -10.279   3.504  -3.992
  333   1HG   LYS  46          2HG       LYS  46  -9.752   3.284  -6.475
  334   2HG   LYS  46          3HG       LYS  46  -9.685   1.547  -6.258
  335   1HD   LYS  46          2HD       LYS  46 -11.917   1.678  -6.808
  336   2HD   LYS  46          3HD       LYS  46 -12.097   2.004  -5.096
  337   1HE   LYS  46          2HE       LYS  46 -11.649   4.537  -5.872
  338   2HE   LYS  46          3HE       LYS  46 -12.211   3.931  -7.417
  339   1HZ   LYS  46          1HZ       LYS  46 -13.986   4.777  -6.000
  340   2HZ   LYS  46          2HZ       LYS  46 -14.216   3.207  -6.387
  341   3HZ   LYS  46          3HZ       LYS  46 -13.685   3.611  -4.896
  342    H    ASP  47           HN       ASP  47  -9.714   3.143  -2.173
  343    HA   ASP  47           HA       ASP  47  -8.541   4.888  -0.631
  344   1HB   ASP  47          2HB       ASP  47 -10.330   2.756  -0.239
  345   2HB   ASP  47          3HB       ASP  47  -9.072   2.442   0.940
  346    H    ALA  48           HN       ALA  48  -7.832   1.344  -0.118
  347    HA   ALA  48           HA       ALA  48  -5.762   1.372   1.495
  348   1HB   ALA  48          1HB       ALA  48  -5.183  -0.263  -0.898
  349   2HB   ALA  48          2HB       ALA  48  -5.462  -0.762   0.787
  350   3HB   ALA  48          3HB       ALA  48  -6.845  -0.433  -0.284
  351    H    CYS  49           HN       CYS  49  -4.968   1.287  -2.041
  352    HA   CYS  49           HA       CYS  49  -2.557   2.760  -1.419
  353   1HB   CYS  49          2HB       CYS  49  -3.454   1.493  -4.015
  354   2HB   CYS  49          3HB       CYS  49  -1.885   2.212  -3.709
  355    H    LYS  50           HN       LYS  50  -2.989   3.474  -4.566
  356    HA   LYS  50           HA       LYS  50  -3.271   5.498  -5.501
  357   1HB   LYS  50          2HB       LYS  50  -5.941   4.407  -4.723
  358   2HB   LYS  50          3HB       LYS  50  -5.890   6.031  -5.381
  359   1HG   LYS  50          2HG       LYS  50  -4.702   3.545  -6.703
  360   2HG   LYS  50          3HG       LYS  50  -6.195   4.332  -7.174
  361   1HD   LYS  50          2HD       LYS  50  -4.122   6.343  -7.086
  362   2HD   LYS  50          3HD       LYS  50  -3.506   4.974  -7.990
  363   1HE   LYS  50          2HE       LYS  50  -5.072   5.201  -9.694
  364   2HE   LYS  50          3HE       LYS  50  -6.317   5.814  -8.622
  365   1HZ   LYS  50          1HZ       LYS  50  -4.050   7.534  -8.853
  366   2HZ   LYS  50          2HZ       LYS  50  -4.845   7.315 -10.263
  367   3HZ   LYS  50          3HZ       LYS  50  -5.640   7.888  -8.956
  368    H    THR  51           HN       THR  51  -2.324   5.668  -2.734
  369    HA   THR  51           HA       THR  51  -3.068   8.422  -2.280
  370    HB   THR  51           HB       THR  51  -4.790   6.924  -1.062
  371    HG1  THR  51           HG1      THR  51  -4.454   8.328   0.844
  372   1HG2  THR  51          1HG       THR  51  -2.554   5.506  -0.201
  373   2HG2  THR  51          2HG       THR  51  -2.838   6.614   1.162
  374   3HG2  THR  51          3HG       THR  51  -4.127   5.508   0.631
  375    H    CYS  52           HN       CYS  52  -1.709   9.378  -0.462
  376    HA   CYS  52           HA       CYS  52   0.423   9.938  -0.084
  377   1HB   CYS  52          2HB       CYS  52  -0.101   8.855   1.937
  378   2HB   CYS  52          3HB       CYS  52   0.057   7.258   1.234
  379    H    HIS  53           HN       HIS  53   0.890   9.790  -2.514
  380    HA   HIS  53           HA       HIS  53   3.304   8.552  -2.948
  381   1HB   HIS  53          2HB       HIS  53   0.984   6.809  -3.470
  382   2HB   HIS  53          3HB       HIS  53   2.089   6.948  -4.822
  383    HD1  HIS  53           HD1      HIS  53   4.740   6.448  -4.150
  384    HD2  HIS  53           HD2      HIS  53   1.764   4.988  -1.579
  385    HE1  HIS  53           HE1      HIS  53   5.844   4.630  -2.740
  386    H    LYS  54           HN       LYS  54   0.180   9.702  -4.261
  387    HA   LYS  54           HA       LYS  54   0.739  10.260  -6.819
  388   1HB   LYS  54          2HB       LYS  54  -0.683  12.034  -4.812
  389   2HB   LYS  54          3HB       LYS  54  -0.747  12.256  -6.548
  390   1HG   LYS  54          2HG       LYS  54  -1.758  10.039  -6.858
  391   2HG   LYS  54          3HG       LYS  54  -1.540   9.654  -5.162
  392   1HD   LYS  54          2HD       LYS  54  -3.107  12.137  -5.867
  393   2HD   LYS  54          3HD       LYS  54  -3.879  10.581  -6.096
  394   1HE   LYS  54          2HE       LYS  54  -2.867  10.184  -3.597
  395   2HE   LYS  54          3HE       LYS  54  -3.032  11.928  -3.549
  396   1HZ   LYS  54          1HZ       LYS  54  -5.011  10.557  -2.878
  397   2HZ   LYS  54          2HZ       LYS  54  -5.299  11.769  -3.934
  398   3HZ   LYS  54          3HZ       LYS  54  -5.230  10.226  -4.463
  399    H    SER  55           HN       SER  55   2.190  11.766  -3.949
  400    HA   SER  55           HA       SER  55   3.679  13.498  -5.761
  401   1HB   SER  55          2HB       SER  55   2.259  14.145  -3.435
  402   2HB   SER  55          3HB       SER  55   3.920  14.084  -2.880
  403    HG   SER  55           HG       SER  55   4.367  15.479  -4.882
  404    H    ASN  56           HN       ASN  56   4.109  11.934  -2.494
  405    HA   ASN  56           HA       ASN  56   6.815  11.865  -2.540
  406   1HB   ASN  56          2HB       ASN  56   4.935   9.749  -1.366
  407   2HB   ASN  56          3HB       ASN  56   6.605   9.981  -0.889
  408   1HD2  ASN  56          1HD       ASN  56   3.670  10.422   0.185
  409   2HD2  ASN  56          2HD       ASN  56   3.786  11.910   1.063
  410    H    ASN  57           HN       ASN  57   8.310   9.931  -2.881
  411    HA   ASN  57           HA       ASN  57   9.069   8.197  -3.958
  412   1HB   ASN  57          2HB       ASN  57   6.338   7.492  -3.659
  413   2HB   ASN  57          3HB       ASN  57   6.660   7.235  -5.363
  414   1HD2  ASN  57          1HD       ASN  57   8.065   6.662  -2.148
  415   2HD2  ASN  57          2HD       ASN  57   8.727   5.095  -2.470
  416    H    GLY  58           HN       GLY  58   6.182   9.070  -6.012
  417   1HA   GLY  58          1HA       GLY  58   6.735  10.771  -7.797
  418   2HA   GLY  58          2HA       GLY  58   8.041   9.685  -8.226
  419    HA   PRO  59           HA       PRO  59   5.286   7.216 -10.493
  420   1HB   PRO  59          2HB       PRO  59   6.105   4.643 -10.069
  421   2HB   PRO  59          3HB       PRO  59   6.928   5.744 -11.157
  422   1HG   PRO  59          2HG       PRO  59   7.743   4.849  -8.459
  423   2HG   PRO  59          3HG       PRO  59   8.720   5.588  -9.714
  424   1HD   PRO  59          2HD       PRO  59   7.703   6.865  -7.356
  425   2HD   PRO  59          3HD       PRO  59   8.580   7.629  -8.666
  426    H    THR  60           HN       THR  60   3.155   7.021 -10.292
  427    HA   THR  60           HA       THR  60   2.298   5.588  -7.863
  428    HB   THR  60           HB       THR  60   0.329   7.109  -7.913
  429    HG1  THR  60           HG1      THR  60   0.115   8.445  -9.727
  430   1HG2  THR  60          1HG       THR  60   1.709   8.491  -6.698
  431   2HG2  THR  60          2HG       THR  60   3.107   8.127  -7.738
  432   3HG2  THR  60          3HG       THR  60   1.939   9.380  -8.223
  433    H    LYS  61           HN       LYS  61   1.768   6.159 -11.366
  434    HA   LYS  61           HA       LYS  61  -0.346   4.259 -11.500
  435   1HB   LYS  61          2HB       LYS  61  -0.314   4.679 -13.847
  436   2HB   LYS  61          3HB       LYS  61  -0.064   6.211 -13.036
  437   1HG   LYS  61          2HG       LYS  61   2.504   5.664 -13.303
  438   2HG   LYS  61          3HG       LYS  61   1.972   4.505 -14.505
  439   1HD   LYS  61          2HD       LYS  61   0.534   6.651 -15.348
  440   2HD   LYS  61          3HD       LYS  61   1.853   7.508 -14.574
  441   1HE   LYS  61          2HE       LYS  61   3.377   5.792 -15.935
  442   2HE   LYS  61          3HE       LYS  61   1.950   5.619 -16.938
  443   1HZ   LYS  61          1HZ       LYS  61   3.258   8.173 -16.299
  444   2HZ   LYS  61          2HZ       LYS  61   3.389   7.370 -17.715
  445   3HZ   LYS  61          3HZ       LYS  61   1.950   7.992 -17.260
  446    H    CYS  62           HN       CYS  62   0.810   3.010 -14.026
  447    HA   CYS  62           HA       CYS  62   1.610   0.634 -12.926
  448   1HB   CYS  62          2HB       CYS  62   1.431   1.803 -15.574
  449   2HB   CYS  62          3HB       CYS  62   2.823   0.745 -15.449
  450    H    GLY  63           HN       GLY  63   3.888  -0.417 -13.396
  451   1HA   GLY  63          1HA       GLY  63   6.053  -0.483 -12.786
  452   2HA   GLY  63          2HA       GLY  63   6.217   0.982 -13.736
  453    H    GLY  64           HN       GLY  64   4.124   0.765 -10.840
  454   1HA   GLY  64          1HA       GLY  64   5.876   2.742  -9.532
  455   2HA   GLY  64          2HA       GLY  64   4.160   2.523  -9.251
  456    H    CYS  65           HN       CYS  65   3.621   0.034  -8.605
  457    HA   CYS  65           HA       CYS  65   5.488  -0.551  -6.430
  458   1HB   CYS  65          2HB       CYS  65   3.394  -1.869  -5.587
  459   2HB   CYS  65          3HB       CYS  65   3.545  -0.142  -5.327
  460    H    HIS  66           HN       HIS  66   3.235  -2.036  -8.870
  461    HA   HIS  66           HA       HIS  66   3.990  -4.645  -8.547
  462   1HB   HIS  66          2HB       HIS  66   2.863  -3.033 -10.801
  463   2HB   HIS  66          3HB       HIS  66   3.423  -4.657 -11.151
  464    HD1  HIS  66           HD1      HIS  66   2.401  -6.495  -9.184
  465    HD2  HIS  66           HD2      HIS  66   0.231  -3.028 -10.119
  466    HE1  HIS  66           HE1      HIS  66  -0.005  -6.939  -8.456
  467    H    ILE  67           HN       ILE  67   5.696  -5.936  -9.195
  468    HA   ILE  67           HA       ILE  67   8.005  -4.492 -10.191
  469    HB   ILE  67           HB       ILE  67   7.556  -7.174  -8.915
  470   1HG1  ILE  67          2HG       ILE  67   9.453  -4.960  -8.115
  471   2HG1  ILE  67          3HG       ILE  67   7.775  -4.979  -7.606
  472   1HG2  ILE  67          1HG       ILE  67  10.309  -6.894  -9.231
  473   2HG2  ILE  67          2HG       ILE  67   9.244  -8.048 -10.069
  474   3HG2  ILE  67          3HG       ILE  67   9.633  -6.484 -10.825
  475   1HD1  ILE  67          1HD       ILE  67   8.699  -7.608  -7.110
  476   2HD1  ILE  67          2HD       ILE  67  10.022  -6.539  -6.588
  477   3HD1  ILE  67          3HD       ILE  67   8.393  -6.337  -5.902
  478    H    LYS  68           HN       LYS  68   7.668  -4.105 -12.378
  479    HA   LYS  68           HA       LYS  68   6.785  -6.305 -14.035
  480   1HB   LYS  68          2HB       LYS  68   6.577  -4.695 -15.767
  481   2HB   LYS  68          3HB       LYS  68   5.957  -3.951 -14.308
  482   1HG   LYS  68          2HG       LYS  68   8.702  -3.316 -14.263
  483   2HG   LYS  68          3HG       LYS  68   8.273  -3.179 -15.956
  484   1HD   LYS  68          2HD       LYS  68   6.120  -1.954 -14.587
  485   2HD   LYS  68          3HD       LYS  68   7.547  -1.431 -13.713
  486   1HE   LYS  68          2HE       LYS  68   7.902  -1.342 -16.654
  487   2HE   LYS  68          3HE       LYS  68   6.597  -0.314 -16.093
  488   1HZ   LYS  68          1HZ       LYS  68   8.332   0.391 -14.351
  489   2HZ   LYS  68          2HZ       LYS  68   9.424  -0.190 -15.418
  490   3HZ   LYS  68          3HZ       LYS  68   8.413   1.015 -15.858
  491    HHA  HEC  98           HGM      HEC  98  -4.153  -5.594   7.813
  492    HHB  HEC  98           HDM      HEC  98  -2.018  -3.146  13.144
  493    HHC  HEC  98           HAM      HEC  98   1.416   0.958   9.758
  494    HHD  HEC  98           HBM      HEC  98  -1.174  -1.311   4.565
  495   1HMA  HEC  98          1HM       HEC  98  -3.665  -6.679  12.907
  496   2HMA  HEC  98          2HM       HEC  98  -2.358  -5.626  13.497
  497   3HMA  HEC  98          3HM       HEC  98  -4.041  -5.050  13.518
  498   1HAA  HEC  98          1HA       HEC  98  -4.657  -7.320  11.062
  499   2HAA  HEC  98          2HA       HEC  98  -5.132  -6.666   9.477
  500   1HBA  HEC  98          3HB       HEC  98  -3.968  -8.518   8.673
  501   2HBA  HEC  98          4HB       HEC  98  -2.554  -7.465   8.913
  502   1HMB  HEC  98          1HM       HEC  98  -1.095  -0.025  14.561
  503   2HMB  HEC  98          2HM       HEC  98  -1.574  -1.736  14.460
  504   3HMB  HEC  98          3HM       HEC  98   0.114  -1.305  14.820
  505    HAB  HEC  98           HT2      HEC  98   1.692   1.459  11.695
  506   1HBB  HEC  98          1HT       HEC  98   2.967   0.907  13.979
  507   2HBB  HEC  98          2HT       HEC  98   2.595  -0.712  13.339
  508   3HBB  HEC  98          3HT       HEC  98   3.463   0.467  12.327
  509   1HMC  HEC  98          1HM       HEC  98   2.409   1.980   8.463
  510   2HMC  HEC  98          2HM       HEC  98   2.770   1.960   6.721
  511   3HMC  HEC  98          3HM       HEC  98   1.478   3.009   7.349
  512    HAC  HEC  98           HT4      HEC  98  -0.747   1.399   4.487
  513   1HBC  HEC  98          1HT       HEC  98   0.111   0.078   2.887
  514   2HBC  HEC  98          2HT       HEC  98   1.703   0.839   3.118
  515   3HBC  HEC  98          3HT       HEC  98   1.266  -0.611   4.053
  516   1HMD  HEC  98          1HM       HEC  98  -1.868  -2.406   3.019
  517   2HMD  HEC  98          2HM       HEC  98  -2.737  -3.943   2.802
  518   3HMD  HEC  98          3HM       HEC  98  -3.647  -2.437   3.071
  519   1HAD  HEC  98          1HA       HEC  98  -4.304  -6.169   5.631
  520   2HAD  HEC  98          2HA       HEC  98  -4.734  -5.138   4.246
  521   1HBD  HEC  98          3HB       HEC  98  -2.189  -5.653   3.611
  522   2HBD  HEC  98          4HB       HEC  98  -2.551  -7.117   4.557
  523    HHA  HEC 128           HGM      HEC 128   8.589   3.519  -1.028
  524    HHB  HEC 128           HDM      HEC 128   4.083  -0.171  -3.277
  525    HHC  HEC 128           HAM      HEC 128  -0.023   2.638   0.642
  526    HHD  HEC 128           HBM      HEC 128   4.497   6.536   2.426
  527   1HMA  HEC 128          1HM       HEC 128   6.564  -0.383  -4.670
  528   2HMA  HEC 128          2HM       HEC 128   7.881  -0.975  -3.630
  529   3HMA  HEC 128          3HM       HEC 128   6.201  -1.463  -3.303
  530   1HAA  HEC 128          1HA       HEC 128   9.366   0.961  -3.353
  531   2HAA  HEC 128          2HA       HEC 128   9.544   2.259  -2.150
  532   1HBA  HEC 128          3HB       HEC 128   9.622   0.605  -0.308
  533   2HBA  HEC 128          4HB       HEC 128   9.286  -0.724  -1.442
  534   1HMB  HEC 128          1HM       HEC 128   1.713  -0.040  -4.386
  535   2HMB  HEC 128          2HM       HEC 128   1.986  -1.453  -3.342
  536   3HMB  HEC 128          3HM       HEC 128   0.350  -0.773  -3.506
  537    HAB  HEC 128           HT2      HEC 128  -1.174   1.510  -0.796
  538   1HBB  HEC 128          1HT       HEC 128  -0.158  -1.038   0.151
  539   2HBB  HEC 128          2HT       HEC 128  -1.195   0.196   0.907
  540   3HBB  HEC 128          3HT       HEC 128  -1.886  -0.951  -0.265
  541   1HMC  HEC 128          1HM       HEC 128  -0.655   4.036   3.253
  542   2HMC  HEC 128          2HM       HEC 128  -0.973   5.571   2.411
  543   3HMC  HEC 128          3HM       HEC 128  -1.137   4.027   1.540
  544    HAC  HEC 128           HT4      HEC 128   2.626   7.288   3.277
  545   1HBC  HEC 128          1HT       HEC 128   0.050   6.025   4.078
  546   2HBC  HEC 128          2HT       HEC 128   1.309   6.797   5.073
  547   3HBC  HEC 128          3HT       HEC 128   0.117   7.799   4.211
  548   1HMD  HEC 128          1HM       HEC 128   6.996   7.074   3.415
  549   2HMD  HEC 128          2HM       HEC 128   7.916   7.832   2.094
  550   3HMD  HEC 128          3HM       HEC 128   6.158   8.081   2.210
  551   1HAD  HEC 128          1HA       HEC 128   9.688   5.420   0.033
  552   2HAD  HEC 128          2HA       HEC 128   9.389   6.609   1.323
  553   1HBD  HEC 128          3HB       HEC 128   9.698   5.044   3.007
  554   2HBD  HEC 128          4HB       HEC 128   9.422   3.665   1.916
  555    HHA  HEC 158           HGM      HEC 158  -3.613  -7.297  -7.094
  556    HHB  HEC 158           HDM      HEC 158  -2.628  -5.818 -13.078
  557    HHC  HEC 158           HAM      HEC 158  -0.672  -0.085 -11.227
  558    HHD  HEC 158           HBM      HEC 158  -1.279  -1.902  -5.298
  559   1HMA  HEC 158          1HM       HEC 158  -4.699  -7.373 -12.931
  560   2HMA  HEC 158          2HM       HEC 158  -3.294  -8.445 -12.732
  561   3HMA  HEC 158          3HM       HEC 158  -4.831  -8.839 -11.931
  562   1HAA  HEC 158          1HA       HEC 158  -4.968  -8.434  -8.041
  563   2HAA  HEC 158          2HA       HEC 158  -5.663  -8.876  -9.618
  564   1HBA  HEC 158          3HB       HEC 158  -3.485 -10.060 -10.193
  565   2HBA  HEC 158          4HB       HEC 158  -2.902  -9.709  -8.548
  566   1HMB  HEC 158          1HM       HEC 158  -2.220  -4.801 -14.883
  567   2HMB  HEC 158          2HM       HEC 158  -1.459  -3.332 -15.540
  568   3HMB  HEC 158          3HM       HEC 158  -0.453  -4.608 -14.812
  569    HAB  HEC 158           HT2      HEC 158   0.232  -0.662 -13.570
  570   1HBB  HEC 158          1HT       HEC 158  -2.287   0.505 -14.404
  571   2HBB  HEC 158          2HT       HEC 158  -2.020   0.325 -12.654
  572   3HBB  HEC 158          3HT       HEC 158  -0.833   1.200 -13.650
  573   1HMC  HEC 158          1HM       HEC 158  -0.776   2.240  -9.323
  574   2HMC  HEC 158          2HM       HEC 158   0.863   1.916  -8.710
  575   3HMC  HEC 158          3HM       HEC 158   0.395   1.361 -10.334
  576    HAC  HEC 158           HT4      HEC 158  -0.420   0.247  -5.296
  577   1HBC  HEC 158          1HT       HEC 158   1.338   2.262  -6.581
  578   2HBC  HEC 158          2HT       HEC 158  -0.381   2.376  -7.030
  579   3HBC  HEC 158          3HT       HEC 158   0.099   2.460  -5.318
  580   1HMD  HEC 158          1HM       HEC 158  -1.882  -4.518  -2.822
  581   2HMD  HEC 158          2HM       HEC 158  -1.011  -3.105  -3.465
  582   3HMD  HEC 158          3HM       HEC 158  -2.764  -3.011  -3.173
  583   1HAD  HEC 158          1HA       HEC 158  -4.109  -5.670  -3.561
  584   2HAD  HEC 158          2HA       HEC 158  -4.308  -6.864  -4.865
  585   1HBD  HEC 158          3HB       HEC 158  -1.963  -7.631  -4.376
  586   2HBD  HEC 158          4HB       HEC 158  -2.010  -6.590  -2.931
  Start of MODEL    9
    1    H    ALA   1           HN       ALA   1   4.310 -10.978   8.322
    2    HA   ALA   1           HA       ALA   1   2.777  -9.318   9.880
    3   1HB   ALA   1          1HB       ALA   1   5.262 -10.881  10.114
    4   2HB   ALA   1          2HB       ALA   1   5.200  -9.484  11.214
    5   3HB   ALA   1          3HB       ALA   1   3.910 -10.709  11.259
    6    H    ASP   2           HN       ASP   2   6.272  -8.692   9.094
    7    HA   ASP   2           HA       ASP   2   5.757  -5.903   9.535
    8   1HB   ASP   2          2HB       ASP   2   8.335  -5.869   8.896
    9   2HB   ASP   2          3HB       ASP   2   7.819  -6.454  10.465
   10    H    VAL   3           HN       VAL   3   5.966  -8.239   6.950
   11    HA   VAL   3           HA       VAL   3   5.805  -6.081   5.000
   12    HB   VAL   3           HB       VAL   3   7.875  -8.248   5.104
   13   1HG1  VAL   3          1HG       VAL   3   6.695  -8.570   2.968
   14   2HG1  VAL   3          2HG       VAL   3   6.944  -6.853   2.571
   15   3HG1  VAL   3          3HG       VAL   3   8.342  -7.945   2.720
   16   1HG2  VAL   3          1HG       VAL   3   9.228  -6.510   5.447
   17   2HG2  VAL   3          2HG       VAL   3   8.747  -5.819   3.878
   18   3HG2  VAL   3          3HG       VAL   3   7.838  -5.401   5.351
   19    H    VAL   4           HN       VAL   4   4.520  -6.607   3.180
   20    HA   VAL   4           HA       VAL   4   3.387  -9.303   3.181
   21    HB   VAL   4           HB       VAL   4   1.689  -6.827   2.913
   22   1HG1  VAL   4          1HG       VAL   4   0.499  -8.584   1.984
   23   2HG1  VAL   4          2HG       VAL   4   1.188  -9.786   3.101
   24   3HG1  VAL   4          3HG       VAL   4  -0.046  -8.639   3.677
   25   1HG2  VAL   4          1HG       VAL   4   1.024  -7.003   5.204
   26   2HG2  VAL   4          2HG       VAL   4   1.965  -8.497   5.428
   27   3HG2  VAL   4          3HG       VAL   4   2.803  -6.947   5.175
   28    H    THR   5           HN       THR   5   5.339  -8.913   1.482
   29    HA   THR   5           HA       THR   5   4.621  -7.489  -0.873
   30    HB   THR   5           HB       THR   5   6.747  -9.562  -0.143
   31    HG1  THR   5           HG1      THR   5   7.976  -7.504  -0.294
   32   1HG2  THR   5          1HG       THR   5   7.072  -9.784  -2.415
   33   2HG2  THR   5          2HG       THR   5   5.988  -8.422  -2.784
   34   3HG2  THR   5          3HG       THR   5   7.680  -8.113  -2.329
   35    H    TYR   6           HN       TYR   6   2.791  -8.013  -1.940
   36    HA   TYR   6           HA       TYR   6   2.005 -10.771  -2.157
   37   1HB   TYR   6          2HB       TYR   6   1.082  -8.024  -3.175
   38   2HB   TYR   6          3HB       TYR   6   0.255  -9.483  -3.684
   39    HD1  TYR   6           HD1      TYR   6   0.222  -6.875  -1.351
   40    HD2  TYR   6           HD2      TYR   6  -0.454 -11.089  -1.639
   41    HE1  TYR   6           HE1      TYR   6  -1.222  -6.793   0.740
   42    HE2  TYR   6           HE2      TYR   6  -1.897 -10.994   0.452
   43    HH   TYR   6           HH       TYR   6  -3.289  -8.483   1.565
   44    H    GLU   7           HN       GLU   7   2.718 -12.156  -3.693
   45    HA   GLU   7           HA       GLU   7   3.981 -10.976  -6.016
   46   1HB   GLU   7          2HB       GLU   7   4.134 -13.673  -4.659
   47   2HB   GLU   7          3HB       GLU   7   4.615 -13.532  -6.338
   48   1HG   GLU   7          2HG       GLU   7   5.930 -11.364  -5.275
   49   2HG   GLU   7          3HG       GLU   7   5.928 -12.433  -3.887
   50    H    ASN   8           HN       ASN   8   3.076 -11.075  -8.049
   51    HA   ASN   8           HA       ASN   8   0.896 -12.965  -8.389
   52   1HB   ASN   8          2HB       ASN   8  -0.176 -11.043  -9.844
   53   2HB   ASN   8          3HB       ASN   8  -0.366 -10.979  -8.103
   54   1HD2  ASN   8          1HD       ASN   8   0.212  -9.214  -7.078
   55   2HD2  ASN   8          2HD       ASN   8   1.220  -7.941  -7.680
   56    H    LYS   9           HN       LYS   9   0.272 -12.759 -10.989
   57    HA   LYS   9           HA       LYS   9   2.730 -13.365 -12.334
   58   1HB   LYS   9          2HB       LYS   9   0.072 -14.187 -12.539
   59   2HB   LYS   9          3HB       LYS   9   0.331 -13.247 -13.995
   60   1HG   LYS   9          2HG       LYS   9   1.710 -14.823 -14.895
   61   2HG   LYS   9          3HG       LYS   9   2.639 -14.974 -13.418
   62   1HD   LYS   9          2HD       LYS   9  -0.005 -16.124 -13.014
   63   2HD   LYS   9          3HD       LYS   9   0.711 -16.808 -14.461
   64   1HE   LYS   9          2HE       LYS   9   1.467 -18.220 -12.689
   65   2HE   LYS   9          3HE       LYS   9   2.847 -17.206 -13.065
   66   1HZ   LYS   9          1HZ       LYS   9   2.555 -17.205 -10.748
   67   2HZ   LYS   9          2HZ       LYS   9   2.068 -15.730 -11.253
   68   3HZ   LYS   9          3HZ       LYS   9   0.962 -16.859 -10.843
   69    H    LYS  10           HN       LYS  10   0.743 -10.566 -11.802
   70    HA   LYS  10           HA       LYS  10   1.966  -9.248 -14.118
   71   1HB   LYS  10          2HB       LYS  10  -0.469  -9.190 -14.100
   72   2HB   LYS  10          3HB       LYS  10  -0.481  -8.522 -12.480
   73   1HG   LYS  10          2HG       LYS  10  -0.207  -6.421 -13.287
   74   2HG   LYS  10          3HG       LYS  10   1.253  -6.890 -14.134
   75   1HD   LYS  10          2HD       LYS  10  -1.456  -7.622 -15.286
   76   2HD   LYS  10          3HD       LYS  10  -0.827  -6.002 -15.506
   77   1HE   LYS  10          2HE       LYS  10   0.927  -6.708 -16.879
   78   2HE   LYS  10          3HE       LYS  10   1.042  -8.281 -16.114
   79   1HZ   LYS  10          1HZ       LYS  10  -0.187  -7.781 -18.440
   80   2HZ   LYS  10          2HZ       LYS  10  -0.426  -9.114 -17.528
   81   3HZ   LYS  10          3HZ       LYS  10  -1.454  -7.850 -17.413
   82    H    GLY  11           HN       GLY  11   3.833  -9.729 -12.262
   83   1HA   GLY  11          1HA       GLY  11   5.479  -8.329 -11.404
   84   2HA   GLY  11          2HA       GLY  11   4.293  -7.068 -11.134
   85    H    ASN  12           HN       ASN  12   4.619  -6.678  -8.933
   86    HA   ASN  12           HA       ASN  12   3.282  -8.239  -7.148
   87   1HB   ASN  12          2HB       ASN  12   5.185  -9.214  -5.797
   88   2HB   ASN  12          3HB       ASN  12   5.028  -9.955  -7.377
   89   1HD2  ASN  12          1HD       ASN  12   6.695  -9.981  -8.710
   90   2HD2  ASN  12          2HD       ASN  12   8.186  -9.122  -8.512
   91    H    VAL  13           HN       VAL  13   2.912  -6.823  -5.409
   92    HA   VAL  13           HA       VAL  13   4.501  -4.409  -5.334
   93    HB   VAL  13           HB       VAL  13   2.766  -3.509  -4.047
   94   1HG1  VAL  13          1HG       VAL  13   2.190  -4.016  -6.431
   95   2HG1  VAL  13          2HG       VAL  13   1.377  -5.498  -5.871
   96   3HG1  VAL  13          3HG       VAL  13   0.779  -3.904  -5.351
   97   1HG2  VAL  13          1HG       VAL  13   0.862  -5.298  -3.352
   98   2HG2  VAL  13          2HG       VAL  13   2.308  -6.327  -3.221
   99   3HG2  VAL  13          3HG       VAL  13   2.200  -4.819  -2.281
  100    H    THR  14           HN       THR  14   6.018  -3.897  -3.804
  101    HA   THR  14           HA       THR  14   6.691  -6.016  -1.925
  102    HB   THR  14           HB       THR  14   8.060  -3.455  -2.892
  103    HG1  THR  14           HG1      THR  14   9.424  -5.193  -3.812
  104   1HG2  THR  14          1HG       THR  14  10.090  -4.678  -1.764
  105   2HG2  THR  14          2HG       THR  14   9.002  -3.745  -0.709
  106   3HG2  THR  14          3HG       THR  14   8.856  -5.517  -0.793
  107    H    PHE  15           HN       PHE  15   4.199  -4.759  -1.388
  108    HA   PHE  15           HA       PHE  15   4.152  -2.624   0.242
  109   1HB   PHE  15          2HB       PHE  15   2.189  -4.011  -0.403
  110   2HB   PHE  15          3HB       PHE  15   2.828  -5.388   0.472
  111    HD1  PHE  15           HD1      PHE  15   0.840  -2.406   0.680
  112    HD2  PHE  15           HD2      PHE  15   2.942  -5.274   2.994
  113    HE1  PHE  15           HE1      PHE  15  -0.452  -1.711   2.716
  114    HE2  PHE  15           HE2      PHE  15   1.651  -4.580   5.030
  115    HZ   PHE  15           HZ       PHE  15  -0.032  -2.806   4.866
  116    H    ASP  16           HN       ASP  16   4.150  -2.324   2.601
  117    HA   ASP  16           HA       ASP  16   5.641  -4.365   4.016
  118   1HB   ASP  16          2HB       ASP  16   6.324  -1.426   4.357
  119   2HB   ASP  16          3HB       ASP  16   7.254  -2.817   4.877
  120    H    HIS  17           HN       HIS  17   5.284  -4.219   6.391
  121    HA   HIS  17           HA       HIS  17   2.951  -2.568   7.024
  122   1HB   HIS  17          2HB       HIS  17   3.019  -5.231   7.100
  123   2HB   HIS  17          3HB       HIS  17   3.718  -4.936   8.680
  124    HD1  HIS  17           HD1      HIS  17   1.169  -6.290   8.970
  125    HD2  HIS  17           HD2      HIS  17   1.294  -2.140   8.376
  126    HE1  HIS  17           HE1      HIS  17  -1.059  -5.380   9.816
  127    H    LYS  18           HN       LYS  18   6.012  -3.955   8.394
  128    HA   LYS  18           HA       LYS  18   5.956  -1.904  10.449
  129   1HB   LYS  18          2HB       LYS  18   6.428  -4.252  11.056
  130   2HB   LYS  18          3HB       LYS  18   7.843  -4.240  10.022
  131   1HG   LYS  18          2HG       LYS  18   8.295  -1.977  11.542
  132   2HG   LYS  18          3HG       LYS  18   7.435  -2.977  12.695
  133   1HD   LYS  18          2HD       LYS  18   9.570  -3.780  13.083
  134   2HD   LYS  18          3HD       LYS  18   9.124  -4.867  11.785
  135   1HE   LYS  18          2HE       LYS  18  10.756  -4.034  10.444
  136   2HE   LYS  18          3HE       LYS  18  10.148  -2.402  10.635
  137   1HZ   LYS  18          1HZ       LYS  18  11.297  -2.633  12.932
  138   2HZ   LYS  18          2HZ       LYS  18  12.186  -3.774  12.174
  139   3HZ   LYS  18          3HZ       LYS  18  12.169  -2.242  11.608
  140    H    ALA  19           HN       ALA  19   7.725  -2.889   7.498
  141    HA   ALA  19           HA       ALA  19   9.826  -1.030   7.822
  142   1HB   ALA  19          1HB       ALA  19  10.599  -1.999   5.918
  143   2HB   ALA  19          2HB       ALA  19   9.294  -3.178   6.198
  144   3HB   ALA  19          3HB       ALA  19   9.042  -1.819   5.075
  145    H    HIS  20           HN       HIS  20   6.472  -0.813   6.787
  146    HA   HIS  20           HA       HIS  20   6.937   1.708   5.455
  147   1HB   HIS  20          2HB       HIS  20   4.863  -0.332   5.488
  148   2HB   HIS  20          3HB       HIS  20   4.180   1.268   5.692
  149    HD1  HIS  20           HD1      HIS  20   7.085   0.107   3.461
  150    HD2  HIS  20           HD2      HIS  20   3.347   1.994   3.197
  151    HE1  HIS  20           HE1      HIS  20   6.782   0.754   1.012
  152    H    ALA  21           HN       ALA  21   5.230   0.402   8.370
  153    HA   ALA  21           HA       ALA  21   4.130   2.689   9.334
  154   1HB   ALA  21          1HB       ALA  21   5.176   0.144  10.460
  155   2HB   ALA  21          2HB       ALA  21   4.980   1.474  11.625
  156   3HB   ALA  21          3HB       ALA  21   3.588   0.919  10.666
  157    H    GLU  22           HN       GLU  22   7.503   1.483   9.960
  158    HA   GLU  22           HA       GLU  22   8.318   3.533  11.534
  159   1HB   GLU  22          2HB       GLU  22  10.554   2.837  11.048
  160   2HB   GLU  22          3HB       GLU  22   9.568   1.395  10.906
  161   1HG   GLU  22          2HG       GLU  22   9.435   1.791   8.405
  162   2HG   GLU  22          3HG       GLU  22  10.532   3.144   8.595
  163    H    LYS  23           HN       LYS  23   7.495   3.593   8.145
  164    HA   LYS  23           HA       LYS  23   8.883   6.149   7.809
  165   1HB   LYS  23          2HB       LYS  23   7.561   4.468   5.666
  166   2HB   LYS  23          3HB       LYS  23   8.660   5.816   5.447
  167   1HG   LYS  23          2HG       LYS  23   9.409   3.212   6.861
  168   2HG   LYS  23          3HG       LYS  23   9.749   3.545   5.173
  169   1HD   LYS  23          2HD       LYS  23  10.691   5.404   7.397
  170   2HD   LYS  23          3HD       LYS  23  11.641   4.024   6.885
  171   1HE   LYS  23          2HE       LYS  23  12.099   4.935   4.772
  172   2HE   LYS  23          3HE       LYS  23  10.634   5.895   4.745
  173   1HZ   LYS  23          1HZ       LYS  23  11.674   7.563   5.731
  174   2HZ   LYS  23          2HZ       LYS  23  12.383   6.622   6.862
  175   3HZ   LYS  23          3HZ       LYS  23  13.078   6.798   5.395
  176    H    LEU  24           HN       LEU  24   5.735   4.577   8.140
  177    HA   LEU  24           HA       LEU  24   4.407   7.079   7.430
  178   1HB   LEU  24          2HB       LEU  24   3.147   4.416   8.070
  179   2HB   LEU  24          3HB       LEU  24   2.394   5.808   7.319
  180    HG   LEU  24           HG       LEU  24   4.070   3.682   6.139
  181   1HD1  LEU  24          1HD       LEU  24   2.418   5.286   4.355
  182   2HD1  LEU  24          2HD       LEU  24   2.356   3.546   4.725
  183   3HD1  LEU  24          3HD       LEU  24   1.517   4.710   5.778
  184   1HD2  LEU  24          1HD       LEU  24   4.674   5.372   4.237
  185   2HD2  LEU  24          2HD       LEU  24   4.570   6.580   5.541
  186   3HD2  LEU  24          3HD       LEU  24   5.717   5.225   5.673
  187    H    GLY  25           HN       GLY  25   2.422   5.335   9.491
  188   1HA   GLY  25          1HA       GLY  25   3.396   5.819  12.045
  189   2HA   GLY  25          2HA       GLY  25   2.574   7.284  11.543
  190    H    CYS  26           HN       CYS  26   1.718   3.960  10.464
  191    HA   CYS  26           HA       CYS  26  -0.095   2.751  10.708
  192   1HB   CYS  26          2HB       CYS  26  -1.036   3.970  13.230
  193   2HB   CYS  26          3HB       CYS  26  -0.828   2.286  12.793
  194    H    ASP  27           HN       ASP  27  -1.191   5.755  12.444
  195    HA   ASP  27           HA       ASP  27  -3.648   5.919  11.479
  196   1HB   ASP  27          2HB       ASP  27  -1.984   7.597  12.885
  197   2HB   ASP  27          3HB       ASP  27  -2.158   8.514  11.402
  198    H    ALA  28           HN       ALA  28  -0.615   6.440   9.738
  199    HA   ALA  28           HA       ALA  28  -1.458   8.054   7.653
  200   1HB   ALA  28          1HB       ALA  28   0.638   7.653   6.880
  201   2HB   ALA  28          2HB       ALA  28   0.865   6.804   8.428
  202   3HB   ALA  28          3HB       ALA  28   0.436   5.887   6.965
  203    H    CYS  29           HN       CYS  29  -1.767   4.512   8.196
  204    HA   CYS  29           HA       CYS  29  -3.252   4.363   5.683
  205   1HB   CYS  29          2HB       CYS  29  -2.095   2.123   7.356
  206   2HB   CYS  29          3HB       CYS  29  -2.935   1.941   5.829
  207    H    HIS  30           HN       HIS  30  -3.253   3.305   9.163
  208    HA   HIS  30           HA       HIS  30  -6.101   2.808   8.966
  209   1HB   HIS  30          2HB       HIS  30  -4.219   2.392  11.304
  210   2HB   HIS  30          3HB       HIS  30  -5.870   1.819  11.180
  211    HD1  HIS  30           HD1      HIS  30  -6.243  -0.433  10.081
  212    HD2  HIS  30           HD2      HIS  30  -2.389   1.082   9.415
  213    HE1  HIS  30           HE1      HIS  30  -4.924  -2.305   8.956
  214    H    GLU  31           HN       GLU  31  -7.042   3.467  11.477
  215    HA   GLU  31           HA       GLU  31  -6.259   5.850  12.526
  216   1HB   GLU  31          2HB       GLU  31  -6.685   7.005  10.462
  217   2HB   GLU  31          3HB       GLU  31  -8.213   6.183  10.222
  218   1HG   GLU  31          2HG       GLU  31  -9.025   7.296  12.396
  219   2HG   GLU  31          3HG       GLU  31  -7.563   8.262  12.357
  220    H    GLY  32           HN       GLY  32  -7.079   5.459  14.534
  221   1HA   GLY  32          1HA       GLY  32  -8.969   5.577  15.958
  222   2HA   GLY  32          2HA       GLY  32  -9.945   4.800  14.727
  223    H    THR  33           HN       THR  33  -8.874   2.524  13.972
  224    HA   THR  33           HA       THR  33  -7.537   1.104  16.062
  225    HB   THR  33           HB       THR  33 -10.545   0.905  15.680
  226    HG1  THR  33           HG1      THR  33 -10.195   0.795  18.067
  227   1HG2  THR  33          1HG       THR  33 -10.081  -1.191  17.305
  228   2HG2  THR  33          2HG       THR  33 -10.173  -1.411  15.542
  229   3HG2  THR  33          3HG       THR  33  -8.588  -1.302  16.343
  230    HA   PRO  34           HA       PRO  34  -6.563  -0.787  12.261
  231   1HB   PRO  34          2HB       PRO  34  -4.273  -2.019  13.102
  232   2HB   PRO  34          3HB       PRO  34  -4.311  -0.372  12.504
  233   1HG   PRO  34          2HG       PRO  34  -4.051  -1.327  15.289
  234   2HG   PRO  34          3HG       PRO  34  -3.671   0.252  14.630
  235   1HD   PRO  34          2HD       PRO  34  -5.980  -0.451  16.180
  236   2HD   PRO  34          3HD       PRO  34  -5.656   1.096  15.423
  237    H    ALA  35           HN       ALA  35  -7.743  -2.401  11.476
  238    HA   ALA  35           HA       ALA  35  -7.643  -4.855  13.085
  239   1HB   ALA  35          1HB       ALA  35  -9.797  -3.420  13.298
  240   2HB   ALA  35          2HB       ALA  35 -10.133  -3.936  11.628
  241   3HB   ALA  35          3HB       ALA  35  -9.977  -5.150  12.921
  242    H    LYS  36           HN       LYS  36  -8.301  -3.269   9.904
  243    HA   LYS  36           HA       LYS  36  -6.673  -4.987   8.482
  244   1HB   LYS  36          2HB       LYS  36  -7.909  -6.732   7.740
  245   2HB   LYS  36          3HB       LYS  36  -8.734  -6.502   9.268
  246   1HG   LYS  36          2HG       LYS  36 -10.146  -4.731   7.754
  247   2HG   LYS  36          3HG       LYS  36  -9.657  -5.839   6.489
  248   1HD   LYS  36          2HD       LYS  36 -10.521  -7.426   8.733
  249   2HD   LYS  36          3HD       LYS  36 -11.729  -6.183   8.476
  250   1HE   LYS  36          2HE       LYS  36 -11.425  -6.884   5.902
  251   2HE   LYS  36          3HE       LYS  36 -10.834  -8.378   6.603
  252   1HZ   LYS  36          1HZ       LYS  36 -12.937  -8.271   7.988
  253   2HZ   LYS  36          2HZ       LYS  36 -13.475  -7.168   6.910
  254   3HZ   LYS  36          3HZ       LYS  36 -13.096  -8.678   6.414
  255    H    ILE  37           HN       ILE  37  -6.842  -4.584   6.110
  256    HA   ILE  37           HA       ILE  37  -8.357  -2.118   5.601
  257    HB   ILE  37           HB       ILE  37  -5.605  -2.819   4.572
  258   1HG1  ILE  37          2HG       ILE  37  -6.490  -0.939   6.774
  259   2HG1  ILE  37          3HG       ILE  37  -5.440  -2.334   6.920
  260   1HG2  ILE  37          1HG       ILE  37  -6.076  -1.358   2.963
  261   2HG2  ILE  37          2HG       ILE  37  -7.607  -0.882   3.739
  262   3HG2  ILE  37          3HG       ILE  37  -6.082  -0.100   4.223
  263   1HD1  ILE  37          1HD       ILE  37  -4.045  -0.989   5.026
  264   2HD1  ILE  37          2HD       ILE  37  -4.844   0.389   5.821
  265   3HD1  ILE  37          3HD       ILE  37  -3.808  -0.707   6.768
  266    H    ALA  38           HN       ALA  38  -8.200  -5.373   5.036
  267    HA   ALA  38           HA       ALA  38  -8.802  -6.731   3.381
  268   1HB   ALA  38          1HB       ALA  38 -11.008  -6.262   3.406
  269   2HB   ALA  38          2HB       ALA  38 -10.711  -4.512   3.538
  270   3HB   ALA  38          3HB       ALA  38 -10.715  -5.297   1.940
  271    H    ILE  39           HN       ILE  39  -6.972  -7.012   2.104
  272    HA   ILE  39           HA       ILE  39  -6.806  -5.200  -0.203
  273    HB   ILE  39           HB       ILE  39  -4.572  -6.572   1.294
  274   1HG1  ILE  39          2HG       ILE  39  -5.611  -4.552   2.379
  275   2HG1  ILE  39          3HG       ILE  39  -3.897  -4.430   2.040
  276   1HG2  ILE  39          1HG       ILE  39  -3.053  -5.820  -0.288
  277   2HG2  ILE  39          2HG       ILE  39  -4.421  -6.365  -1.287
  278   3HG2  ILE  39          3HG       ILE  39  -4.186  -4.629  -0.969
  279   1HD1  ILE  39          1HD       ILE  39  -5.571  -2.458   1.379
  280   2HD1  ILE  39          2HD       ILE  39  -4.192  -2.869   0.332
  281   3HD1  ILE  39          3HD       ILE  39  -5.822  -3.462  -0.070
  282    H    ASP  40           HN       ASP  40  -6.771  -6.128  -2.230
  283    HA   ASP  40           HA       ASP  40  -6.170  -8.882  -2.504
  284   1HB   ASP  40          2HB       ASP  40  -8.796  -8.374  -1.828
  285   2HB   ASP  40          3HB       ASP  40  -8.893  -8.279  -3.574
  286    H    LYS  41           HN       LYS  41  -8.386  -6.483  -4.140
  287    HA   LYS  41           HA       LYS  41  -6.554  -5.588  -6.013
  288   1HB   LYS  41          2HB       LYS  41  -6.435  -7.839  -6.879
  289   2HB   LYS  41          3HB       LYS  41  -8.180  -7.962  -6.960
  290   1HG   LYS  41          2HG       LYS  41  -7.524  -5.595  -8.400
  291   2HG   LYS  41          3HG       LYS  41  -6.331  -6.780  -8.888
  292   1HD   LYS  41          2HD       LYS  41  -7.905  -8.183  -9.872
  293   2HD   LYS  41          3HD       LYS  41  -9.172  -7.735  -8.747
  294   1HE   LYS  41          2HE       LYS  41  -9.746  -6.808 -10.925
  295   2HE   LYS  41          3HE       LYS  41  -9.323  -5.475  -9.869
  296   1HZ   LYS  41          1HZ       LYS  41  -7.606  -4.984 -11.147
  297   2HZ   LYS  41          2HZ       LYS  41  -7.064  -6.523 -11.219
  298   3HZ   LYS  41          3HZ       LYS  41  -8.208  -6.011 -12.266
  299    H    LYS  42           HN       LYS  42  -8.254  -4.227  -4.462
  300    HA   LYS  42           HA       LYS  42  -9.940  -2.975  -6.381
  301   1HB   LYS  42          2HB       LYS  42 -11.108  -5.097  -4.930
  302   2HB   LYS  42          3HB       LYS  42 -11.705  -3.628  -4.184
  303   1HG   LYS  42          2HG       LYS  42 -12.552  -2.786  -6.295
  304   2HG   LYS  42          3HG       LYS  42 -11.698  -4.014  -7.207
  305   1HD   LYS  42          2HD       LYS  42 -13.119  -5.718  -5.765
  306   2HD   LYS  42          3HD       LYS  42 -14.148  -4.335  -5.449
  307   1HE   LYS  42          2HE       LYS  42 -13.466  -4.538  -8.306
  308   2HE   LYS  42          3HE       LYS  42 -14.232  -6.002  -7.723
  309   1HZ   LYS  42          1HZ       LYS  42 -15.371  -3.418  -7.012
  310   2HZ   LYS  42          2HZ       LYS  42 -15.665  -4.046  -8.491
  311   3HZ   LYS  42          3HZ       LYS  42 -16.114  -4.866  -7.152
  312    H    SER  43           HN       SER  43 -10.263  -3.265  -2.792
  313    HA   SER  43           HA       SER  43 -10.406  -0.602  -2.345
  314   1HB   SER  43          2HB       SER  43 -10.561  -2.792  -0.777
  315   2HB   SER  43          3HB       SER  43  -8.948  -2.283  -0.320
  316    HG   SER  43           HG       SER  43 -10.406  -0.047  -0.279
  317    H    ALA  44           HN       ALA  44  -7.460  -2.722  -2.307
  318    HA   ALA  44           HA       ALA  44  -5.635  -0.765  -1.583
  319   1HB   ALA  44          1HB       ALA  44  -4.108  -2.427  -1.938
  320   2HB   ALA  44          2HB       ALA  44  -5.567  -3.440  -2.054
  321   3HB   ALA  44          3HB       ALA  44  -4.776  -2.846  -3.533
  322    H    HIS  45           HN       HIS  45  -7.536  -1.116  -4.459
  323    HA   HIS  45           HA       HIS  45  -5.657   0.535  -5.961
  324   1HB   HIS  45          2HB       HIS  45  -7.959  -1.244  -6.736
  325   2HB   HIS  45          3HB       HIS  45  -7.394   0.003  -7.830
  326    HD1  HIS  45           HD1      HIS  45  -6.698  -3.429  -6.738
  327    HD2  HIS  45           HD2      HIS  45  -4.551  -0.329  -8.574
  328    HE1  HIS  45           HE1      HIS  45  -4.628  -4.507  -7.771
  329    H    LYS  46           HN       LYS  46  -8.042   0.951  -3.725
  330    HA   LYS  46           HA       LYS  46  -9.167   3.271  -5.128
  331   1HB   LYS  46          2HB       LYS  46 -10.460   1.167  -3.832
  332   2HB   LYS  46          3HB       LYS  46 -10.517   2.472  -2.664
  333   1HG   LYS  46          2HG       LYS  46 -11.178   3.897  -4.874
  334   2HG   LYS  46          3HG       LYS  46 -11.733   2.324  -5.412
  335   1HD   LYS  46          2HD       LYS  46 -13.099   2.098  -3.321
  336   2HD   LYS  46          3HD       LYS  46 -12.555   3.681  -2.799
  337   1HE   LYS  46          2HE       LYS  46 -13.743   4.805  -4.533
  338   2HE   LYS  46          3HE       LYS  46 -13.880   3.358  -5.512
  339   1HZ   LYS  46          1HZ       LYS  46 -15.942   3.703  -4.504
  340   2HZ   LYS  46          2HZ       LYS  46 -15.282   2.458  -3.680
  341   3HZ   LYS  46          3HZ       LYS  46 -15.306   3.951  -3.021
  342    H    ASP  47           HN       ASP  47 -10.125   4.449  -2.602
  343    HA   ASP  47           HA       ASP  47  -8.144   6.180  -2.109
  344   1HB   ASP  47          2HB       ASP  47 -10.536   5.211  -0.610
  345   2HB   ASP  47          3HB       ASP  47  -9.345   6.032   0.379
  346    H    ALA  48           HN       ALA  48  -8.594   2.875  -0.868
  347    HA   ALA  48           HA       ALA  48  -7.227   2.738   1.420
  348   1HB   ALA  48          1HB       ALA  48  -6.921   0.475   0.934
  349   2HB   ALA  48          2HB       ALA  48  -8.230   0.913  -0.189
  350   3HB   ALA  48          3HB       ALA  48  -6.555   0.786  -0.780
  351    H    CYS  49           HN       CYS  49  -5.606   2.459  -1.830
  352    HA   CYS  49           HA       CYS  49  -3.246   3.629  -0.542
  353   1HB   CYS  49          2HB       CYS  49  -3.377   1.433  -2.615
  354   2HB   CYS  49          3HB       CYS  49  -1.911   2.309  -2.224
  355    H    LYS  50           HN       LYS  50  -3.253   2.787  -3.955
  356    HA   LYS  50           HA       LYS  50  -2.819   4.174  -5.675
  357   1HB   LYS  50          2HB       LYS  50  -5.619   4.195  -4.879
  358   2HB   LYS  50          3HB       LYS  50  -5.200   5.646  -5.767
  359   1HG   LYS  50          2HG       LYS  50  -4.248   2.961  -6.796
  360   2HG   LYS  50          3HG       LYS  50  -5.914   3.435  -7.064
  361   1HD   LYS  50          2HD       LYS  50  -4.005   5.605  -7.689
  362   2HD   LYS  50          3HD       LYS  50  -3.724   4.167  -8.649
  363   1HE   LYS  50          2HE       LYS  50  -6.572   4.589  -8.559
  364   2HE   LYS  50          3HE       LYS  50  -5.829   6.132  -8.931
  365   1HZ   LYS  50          1HZ       LYS  50  -5.414   5.399 -10.948
  366   2HZ   LYS  50          2HZ       LYS  50  -4.555   4.126 -10.391
  367   3HZ   LYS  50          3HZ       LYS  50  -6.166   3.987 -10.619
  368    H    THR  51           HN       THR  51  -4.904   6.652  -4.201
  369    HA   THR  51           HA       THR  51  -3.355   8.788  -4.725
  370    HB   THR  51           HB       THR  51  -4.570   9.829  -2.750
  371    HG1  THR  51           HG1      THR  51  -5.518   8.361  -1.318
  372   1HG2  THR  51          1HG       THR  51  -5.849   8.270  -4.921
  373   2HG2  THR  51          2HG       THR  51  -6.886   8.435  -3.484
  374   3HG2  THR  51          3HG       THR  51  -6.263   9.887  -4.303
  375    H    CYS  52           HN       CYS  52  -3.303   7.242  -1.440
  376    HA   CYS  52           HA       CYS  52  -1.150   8.601  -0.503
  377   1HB   CYS  52          2HB       CYS  52  -2.624   7.089   0.798
  378   2HB   CYS  52          3HB       CYS  52  -1.822   5.708   0.076
  379    H    HIS  53           HN       HIS  53   0.564   8.933  -1.976
  380    HA   HIS  53           HA       HIS  53   2.656   7.327  -2.074
  381   1HB   HIS  53          2HB       HIS  53   0.568   6.192  -3.793
  382   2HB   HIS  53          3HB       HIS  53   2.080   6.451  -4.639
  383    HD1  HIS  53           HD1      HIS  53   2.199   3.768  -4.745
  384    HD2  HIS  53           HD2      HIS  53   2.578   5.470  -0.929
  385    HE1  HIS  53           HE1      HIS  53   3.155   1.943  -3.239
  386    H    LYS  54           HN       LYS  54   0.455   9.464  -3.840
  387    HA   LYS  54           HA       LYS  54   2.486  10.449  -5.594
  388   1HB   LYS  54          2HB       LYS  54  -0.327  11.371  -4.955
  389   2HB   LYS  54          3HB       LYS  54   0.708  12.161  -6.127
  390   1HG   LYS  54          2HG       LYS  54   0.890  10.082  -7.442
  391   2HG   LYS  54          3HG       LYS  54  -0.003   9.192  -6.226
  392   1HD   LYS  54          2HD       LYS  54  -1.922   9.735  -7.301
  393   2HD   LYS  54          3HD       LYS  54  -1.656  11.410  -6.858
  394   1HE   LYS  54          2HE       LYS  54   0.085  10.940  -9.058
  395   2HE   LYS  54          3HE       LYS  54  -1.414  10.138  -9.483
  396   1HZ   LYS  54          1HZ       LYS  54  -1.167  12.934  -8.610
  397   2HZ   LYS  54          2HZ       LYS  54  -1.454  12.427 -10.135
  398   3HZ   LYS  54          3HZ       LYS  54  -2.575  12.189  -8.971
  399    H    SER  55           HN       SER  55   3.810  10.550  -3.322
  400    HA   SER  55           HA       SER  55   3.741  13.382  -2.693
  401   1HB   SER  55          2HB       SER  55   2.600  12.082  -0.856
  402   2HB   SER  55          3HB       SER  55   4.082  11.182  -0.607
  403    HG   SER  55           HG       SER  55   3.611  13.199   0.768
  404    H    ASN  56           HN       ASN  56   5.587  10.406  -1.682
  405    HA   ASN  56           HA       ASN  56   8.020  11.861  -2.071
  406   1HB   ASN  56          2HB       ASN  56   7.503  10.153  -0.169
  407   2HB   ASN  56          3HB       ASN  56   7.722   8.900  -1.374
  408   1HD2  ASN  56          1HD       ASN  56   9.233  11.549   0.354
  409   2HD2  ASN  56          2HD       ASN  56  10.884  11.086   0.118
  410    H    ASN  57           HN       ASN  57   6.769   8.576  -3.075
  411    HA   ASN  57           HA       ASN  57   8.552   8.617  -5.316
  412   1HB   ASN  57          2HB       ASN  57   7.459   6.313  -5.740
  413   2HB   ASN  57          3HB       ASN  57   8.334   6.474  -4.229
  414   1HD2  ASN  57          1HD       ASN  57   6.776   4.520  -4.049
  415   2HD2  ASN  57          2HD       ASN  57   5.274   4.818  -3.243
  416    H    GLY  58           HN       GLY  58   7.242   7.440  -7.404
  417   1HA   GLY  58          1HA       GLY  58   4.707   8.885  -7.804
  418   2HA   GLY  58          2HA       GLY  58   6.023   9.101  -8.941
  419    HA   PRO  59           HA       PRO  59   4.742   4.560  -9.321
  420   1HB   PRO  59          2HB       PRO  59   2.814   3.514  -7.691
  421   2HB   PRO  59          3HB       PRO  59   4.528   3.373  -7.360
  422   1HG   PRO  59          2HG       PRO  59   2.531   5.129  -6.071
  423   2HG   PRO  59          3HG       PRO  59   4.118   4.662  -5.493
  424   1HD   PRO  59          2HD       PRO  59   3.387   7.181  -6.655
  425   2HD   PRO  59          3HD       PRO  59   4.996   6.672  -6.183
  426    H    THR  60           HN       THR  60   3.844   6.554 -10.779
  427    HA   THR  60           HA       THR  60   1.028   6.590 -11.001
  428    HB   THR  60           HB       THR  60   3.339   7.407 -12.835
  429    HG1  THR  60           HG1      THR  60   1.424   8.625 -10.979
  430   1HG2  THR  60          1HG       THR  60   0.877   7.012 -13.867
  431   2HG2  THR  60          2HG       THR  60   0.552   8.553 -13.038
  432   3HG2  THR  60          3HG       THR  60   1.823   8.462 -14.281
  433    H    LYS  61           HN       LYS  61   3.510   5.098 -13.196
  434    HA   LYS  61           HA       LYS  61   1.461   3.589 -14.495
  435   1HB   LYS  61          2HB       LYS  61   3.047   3.113 -16.055
  436   2HB   LYS  61          3HB       LYS  61   3.775   4.550 -15.366
  437   1HG   LYS  61          2HG       LYS  61   4.896   2.805 -13.681
  438   2HG   LYS  61          3HG       LYS  61   4.539   1.652 -14.952
  439   1HD   LYS  61          2HD       LYS  61   5.774   4.175 -15.930
  440   2HD   LYS  61          3HD       LYS  61   6.801   3.258 -14.846
  441   1HE   LYS  61          2HE       LYS  61   6.446   1.211 -16.260
  442   2HE   LYS  61          3HE       LYS  61   5.449   2.149 -17.354
  443   1HZ   LYS  61          1HZ       LYS  61   7.302   2.729 -18.359
  444   2HZ   LYS  61          2HZ       LYS  61   7.783   3.555 -17.035
  445   3HZ   LYS  61          3HZ       LYS  61   8.238   2.000 -17.237
  446    H    CYS  62           HN       CYS  62   1.331   1.232 -14.548
  447    HA   CYS  62           HA       CYS  62   1.023   0.058 -12.175
  448   1HB   CYS  62          2HB       CYS  62   1.989  -1.308 -14.696
  449   2HB   CYS  62          3HB       CYS  62   1.284  -2.120 -13.312
  450    H    GLY  63           HN       GLY  63   4.025  -0.076 -14.229
  451   1HA   GLY  63          1HA       GLY  63   5.708  -1.612 -12.854
  452   2HA   GLY  63          2HA       GLY  63   6.199  -0.086 -13.560
  453    H    GLY  64           HN       GLY  64   4.443   1.559 -11.764
  454   1HA   GLY  64          1HA       GLY  64   6.196   2.278  -9.807
  455   2HA   GLY  64          2HA       GLY  64   4.462   2.510  -9.721
  456    H    CYS  65           HN       CYS  65   3.115   0.592  -8.930
  457    HA   CYS  65           HA       CYS  65   4.331  -0.383  -6.549
  458   1HB   CYS  65          2HB       CYS  65   1.608  -0.518  -7.779
  459   2HB   CYS  65          3HB       CYS  65   2.016  -1.655  -6.509
  460    H    HIS  66           HN       HIS  66   2.803  -1.920  -9.482
  461    HA   HIS  66           HA       HIS  66   3.933  -4.452  -8.801
  462   1HB   HIS  66          2HB       HIS  66   2.380  -3.459 -11.204
  463   2HB   HIS  66          3HB       HIS  66   2.932  -5.113 -11.025
  464    HD1  HIS  66           HD1      HIS  66   1.246  -6.652 -10.024
  465    HD2  HIS  66           HD2      HIS  66   0.684  -2.685  -8.783
  466    HE1  HIS  66           HE1      HIS  66  -0.846  -6.649  -8.564
  467    H    ILE  67           HN       ILE  67   6.198  -4.227  -8.765
  468    HA   ILE  67           HA       ILE  67   7.678  -2.877 -10.678
  469    HB   ILE  67           HB       ILE  67   8.407  -5.235  -8.938
  470   1HG1  ILE  67          2HG       ILE  67   7.530  -3.128  -7.823
  471   2HG1  ILE  67          3HG       ILE  67   9.105  -3.696  -7.305
  472   1HG2  ILE  67          1HG       ILE  67  10.008  -3.551 -10.812
  473   2HG2  ILE  67          2HG       ILE  67  10.744  -4.021  -9.260
  474   3HG2  ILE  67          3HG       ILE  67  10.167  -5.273 -10.388
  475   1HD1  ILE  67          1HD       ILE  67   9.011  -1.207  -7.712
  476   2HD1  ILE  67          2HD       ILE  67  10.242  -2.037  -8.694
  477   3HD1  ILE  67          3HD       ILE  67   8.700  -1.545  -9.432
  478    H    LYS  68           HN       LYS  68   6.919  -3.259 -12.790
  479    HA   LYS  68           HA       LYS  68   6.308  -5.674 -13.899
  480   1HB   LYS  68          2HB       LYS  68   7.017  -2.997 -14.836
  481   2HB   LYS  68          3HB       LYS  68   7.516  -4.245 -15.961
  482   1HG   LYS  68          2HG       LYS  68   4.724  -4.210 -14.745
  483   2HG   LYS  68          3HG       LYS  68   5.104  -3.318 -16.205
  484   1HD   LYS  68          2HD       LYS  68   5.986  -5.510 -17.200
  485   2HD   LYS  68          3HD       LYS  68   5.347  -6.333 -15.791
  486   1HE   LYS  68          2HE       LYS  68   3.612  -6.522 -17.412
  487   2HE   LYS  68          3HE       LYS  68   3.069  -5.234 -16.356
  488   1HZ   LYS  68          1HZ       LYS  68   3.093  -3.872 -18.066
  489   2HZ   LYS  68          2HZ       LYS  68   4.671  -4.161 -18.375
  490   3HZ   LYS  68          3HZ       LYS  68   3.520  -5.093 -19.063
  491    HHA  HEC  98           HGM      HEC  98  -4.416  -4.984   8.340
  492    HHB  HEC  98           HDM      HEC  98  -2.118  -2.158  13.411
  493    HHC  HEC  98           HAM      HEC  98   1.526   1.399   9.646
  494    HHD  HEC  98           HBM      HEC  98  -1.215  -1.208   4.695
  495   1HMA  HEC  98          1HM       HEC  98  -3.410  -3.726  14.131
  496   2HMA  HEC  98          2HM       HEC  98  -4.562  -4.980  13.611
  497   3HMA  HEC  98          3HM       HEC  98  -2.829  -5.363  13.740
  498   1HAA  HEC  98          1HA       HEC  98  -5.002  -6.354  11.740
  499   2HAA  HEC  98          2HA       HEC  98  -5.443  -5.833  10.096
  500   1HBA  HEC  98          3HB       HEC  98  -4.403  -7.851   9.524
  501   2HBA  HEC  98          4HB       HEC  98  -2.947  -6.829   9.576
  502   1HMB  HEC  98          1HM       HEC  98  -0.903   1.043  14.541
  503   2HMB  HEC  98          2HM       HEC  98  -1.655  -0.570  14.562
  504   3HMB  HEC  98          3HM       HEC  98   0.083  -0.393  14.905
  505    HAB  HEC  98           HT2      HEC  98   1.880   2.029  11.524
  506   1HBB  HEC  98          1HT       HEC  98   3.066   0.128  12.582
  507   2HBB  HEC  98          2HT       HEC  98   3.539   1.788  13.014
  508   3HBB  HEC  98          3HT       HEC  98   2.553   0.825  14.139
  509   1HMC  HEC  98          1HM       HEC  98   2.607   2.353   6.283
  510   2HMC  HEC  98          2HM       HEC  98   1.682   3.169   7.565
  511   3HMC  HEC  98          3HM       HEC  98   2.890   1.934   7.989
  512    HAC  HEC  98           HT4      HEC  98  -0.576   0.997   4.185
  513   1HBC  HEC  98          1HT       HEC  98   2.431   0.569   4.245
  514   2HBC  HEC  98          2HT       HEC  98   1.185  -0.432   3.464
  515   3HBC  HEC  98          3HT       HEC  98   1.584   1.170   2.801
  516   1HMD  HEC  98          1HM       HEC  98  -2.379  -3.770   3.186
  517   2HMD  HEC  98          2HM       HEC  98  -3.916  -2.878   3.287
  518   3HMD  HEC  98          3HM       HEC  98  -2.371  -1.994   3.299
  519   1HAD  HEC  98          1HA       HEC  98  -4.548  -5.796   6.225
  520   2HAD  HEC  98          2HA       HEC  98  -5.032  -4.840   4.804
  521   1HBD  HEC  98          3HB       HEC  98  -3.770  -7.065   4.467
  522   2HBD  HEC  98          4HB       HEC  98  -3.290  -5.643   3.510
  523    HHA  HEC 128           HGM      HEC 128   7.936   3.406  -0.473
  524    HHB  HEC 128           HDM      HEC 128   3.864  -0.766  -2.708
  525    HHC  HEC 128           HAM      HEC 128  -0.616   1.804   0.957
  526    HHD  HEC 128           HBM      HEC 128   3.468   6.167   2.720
  527   1HMA  HEC 128          1HM       HEC 128   7.195  -1.743  -2.369
  528   2HMA  HEC 128          2HM       HEC 128   5.738  -1.440  -3.344
  529   3HMA  HEC 128          3HM       HEC 128   7.290  -0.711  -3.816
  530   1HAA  HEC 128          1HA       HEC 128   9.120   1.860  -0.921
  531   2HAA  HEC 128          2HA       HEC 128   9.181   0.183  -1.513
  532   1HBA  HEC 128          3HB       HEC 128   8.396   1.219  -3.821
  533   2HBA  HEC 128          4HB       HEC 128   8.950   2.763  -3.132
  534   1HMB  HEC 128          1HM       HEC 128   0.305  -1.204  -3.484
  535   2HMB  HEC 128          2HM       HEC 128   2.075  -1.250  -3.658
  536   3HMB  HEC 128          3HM       HEC 128   1.259  -2.398  -2.570
  537    HAB  HEC 128           HT2      HEC 128  -1.459   0.179   0.079
  538   1HBB  HEC 128          1HT       HEC 128  -1.112  -1.893   0.739
  539   2HBB  HEC 128          2HT       HEC 128  -2.239  -2.127  -0.619
  540   3HBB  HEC 128          3HT       HEC 128  -0.502  -2.443  -0.841
  541   1HMC  HEC 128          1HM       HEC 128  -2.001   3.718   1.610
  542   2HMC  HEC 128          2HM       HEC 128  -1.514   2.790   3.048
  543   3HMC  HEC 128          3HM       HEC 128  -1.721   4.553   3.156
  544    HAC  HEC 128           HT4      HEC 128   1.509   6.781   3.468
  545   1HBC  HEC 128          1HT       HEC 128  -0.527   5.188   4.596
  546   2HBC  HEC 128          2HT       HEC 128   0.049   6.768   5.179
  547   3HBC  HEC 128          3HT       HEC 128  -1.341   6.681   4.070
  548   1HMD  HEC 128          1HM       HEC 128   4.991   7.285   3.366
  549   2HMD  HEC 128          2HM       HEC 128   6.768   7.209   3.295
  550   3HMD  HEC 128          3HM       HEC 128   5.863   8.082   2.034
  551   1HAD  HEC 128          1HA       HEC 128   8.373   6.453   2.153
  552   2HAD  HEC 128          2HA       HEC 128   8.839   4.754   1.904
  553   1HBD  HEC 128          3HB       HEC 128   9.313   5.066  -0.320
  554   2HBD  HEC 128          4HB       HEC 128   8.237   6.478  -0.464
  555    HHA  HEC 158           HGM      HEC 158  -3.034  -7.297  -6.328
  556    HHB  HEC 158           HDM      HEC 158  -3.045  -5.647 -12.348
  557    HHC  HEC 158           HAM      HEC 158  -1.578   0.267 -10.617
  558    HHD  HEC 158           HBM      HEC 158  -1.162  -1.671  -4.710
  559   1HMA  HEC 158          1HM       HEC 158  -4.782  -8.872 -11.005
  560   2HMA  HEC 158          2HM       HEC 158  -4.784  -7.418 -12.032
  561   3HMA  HEC 158          3HM       HEC 158  -3.325  -8.431 -11.926
  562   1HAA  HEC 158          1HA       HEC 158  -4.095  -8.672  -7.111
  563   2HAA  HEC 158          2HA       HEC 158  -5.294  -8.949  -8.396
  564   1HBA  HEC 158          3HB       HEC 158  -2.942  -9.689  -9.683
  565   2HBA  HEC 158          4HB       HEC 158  -2.598 -10.197  -8.013
  566   1HMB  HEC 158          1HM       HEC 158  -3.155  -4.399 -14.246
  567   2HMB  HEC 158          2HM       HEC 158  -2.292  -2.980 -14.883
  568   3HMB  HEC 158          3HM       HEC 158  -1.376  -4.356 -14.228
  569    HAB  HEC 158           HT2      HEC 158  -1.057  -0.020 -12.897
  570   1HBB  HEC 158          1HT       HEC 158  -2.841   1.296 -13.835
  571   2HBB  HEC 158          2HT       HEC 158  -3.995   0.045 -13.316
  572   3HBB  HEC 158          3HT       HEC 158  -3.009   0.902 -12.108
  573   1HMC  HEC 158          1HM       HEC 158  -1.724   2.528  -8.687
  574   2HMC  HEC 158          2HM       HEC 158  -0.003   2.433  -8.246
  575   3HMC  HEC 158          3HM       HEC 158  -0.551   1.824  -9.825
  576    HAC  HEC 158           HT4      HEC 158  -0.055   0.177  -4.870
  577   1HBC  HEC 158          1HT       HEC 158  -1.318   2.648  -6.062
  578   2HBC  HEC 158          2HT       HEC 158  -1.643   1.848  -4.506
  579   3HBC  HEC 158          3HT       HEC 158  -0.159   2.805  -4.721
  580   1HMD  HEC 158          1HM       HEC 158  -2.164  -3.743  -2.176
  581   2HMD  HEC 158          2HM       HEC 158  -0.447  -4.013  -2.559
  582   3HMD  HEC 158          3HM       HEC 158  -1.201  -2.439  -2.913
  583   1HAD  HEC 158          1HA       HEC 158  -2.566  -5.901  -2.561
  584   2HAD  HEC 158          2HA       HEC 158  -3.840  -6.479  -3.662
  585   1HBD  HEC 158          3HB       HEC 158  -1.871  -7.786  -4.780
  586   2HBD  HEC 158          4HB       HEC 158  -1.081  -7.536  -3.206
  Start of MODEL   10
    1    H    ALA   1           HN       ALA   1   1.934  -5.878   9.712
    2    HA   ALA   1           HA       ALA   1   1.594  -8.797   9.588
    3   1HB   ALA   1          1HB       ALA   1   0.436  -6.994   7.950
    4   2HB   ALA   1          2HB       ALA   1   1.999  -7.168   7.114
    5   3HB   ALA   1          3HB       ALA   1   0.971  -8.596   7.389
    6    H    ASP   2           HN       ASP   2   3.797  -6.177   9.886
    7    HA   ASP   2           HA       ASP   2   5.956  -6.006   9.794
    8   1HB   ASP   2          2HB       ASP   2   5.607  -8.979  10.167
    9   2HB   ASP   2          3HB       ASP   2   7.218  -8.390   9.810
   10    H    VAL   3           HN       VAL   3   4.754  -5.767   7.296
   11    HA   VAL   3           HA       VAL   3   5.248  -5.713   5.139
   12    HB   VAL   3           HB       VAL   3   7.809  -7.143   5.877
   13   1HG1  VAL   3          1HG       VAL   3   6.999  -5.528   3.438
   14   2HG1  VAL   3          2HG       VAL   3   8.671  -6.013   3.809
   15   3HG1  VAL   3          3HG       VAL   3   7.432  -7.253   3.503
   16   1HG2  VAL   3          1HG       VAL   3   7.533  -4.163   5.496
   17   2HG2  VAL   3          2HG       VAL   3   7.244  -4.920   7.082
   18   3HG2  VAL   3          3HG       VAL   3   8.832  -5.082   6.294
   19    H    VAL   4           HN       VAL   4   4.270  -6.915   3.580
   20    HA   VAL   4           HA       VAL   4   4.393  -9.832   3.919
   21    HB   VAL   4           HB       VAL   4   2.050  -8.108   3.093
   22   1HG1  VAL   4          1HG       VAL   4   0.788 -10.271   3.068
   23   2HG1  VAL   4          2HG       VAL   4   2.009 -10.128   1.781
   24   3HG1  VAL   4          3HG       VAL   4   2.343 -11.126   3.217
   25   1HG2  VAL   4          1HG       VAL   4   2.690  -8.258   5.570
   26   2HG2  VAL   4          2HG       VAL   4   1.020  -8.688   5.134
   27   3HG2  VAL   4          3HG       VAL   4   2.209  -9.969   5.471
   28    H    THR   5           HN       THR   5   4.305 -11.074   1.920
   29    HA   THR   5           HA       THR   5   5.092  -9.457  -0.415
   30    HB   THR   5           HB       THR   5   6.152 -12.088   0.713
   31    HG1  THR   5           HG1      THR   5   6.949  -9.827   1.263
   32   1HG2  THR   5          1HG       THR   5   6.880 -12.741  -1.352
   33   2HG2  THR   5          2HG       THR   5   5.822 -11.498  -2.061
   34   3HG2  THR   5          3HG       THR   5   7.518 -11.111  -1.677
   35    H    TYR   6           HN       TYR   6   3.573  -9.428  -1.938
   36    HA   TYR   6           HA       TYR   6   1.939 -11.862  -2.210
   37   1HB   TYR   6          2HB       TYR   6   1.488  -8.846  -2.436
   38   2HB   TYR   6          3HB       TYR   6   0.442  -9.917  -3.347
   39    HD1  TYR   6           HD1      TYR   6   1.159  -8.489  -0.105
   40    HD2  TYR   6           HD2      TYR   6  -0.965 -11.622  -2.101
   41    HE1  TYR   6           HE1      TYR   6  -0.313  -8.807   1.944
   42    HE2  TYR   6           HE2      TYR   6  -2.429 -11.928  -0.045
   43    HH   TYR   6           HH       TYR   6  -2.546  -9.659   2.439
   44    H    GLU   7           HN       GLU   7   3.612 -12.741  -3.667
   45    HA   GLU   7           HA       GLU   7   4.415 -11.352  -5.932
   46   1HB   GLU   7          2HB       GLU   7   4.794 -13.965  -4.767
   47   2HB   GLU   7          3HB       GLU   7   4.423 -14.176  -6.467
   48   1HG   GLU   7          2HG       GLU   7   6.303 -11.948  -6.025
   49   2HG   GLU   7          3HG       GLU   7   6.918 -13.457  -5.378
   50    H    ASN   8           HN       ASN   8   3.633 -11.281  -8.070
   51    HA   ASN   8           HA       ASN   8   1.164 -12.731  -8.538
   52   1HB   ASN   8          2HB       ASN   8   0.337 -10.606  -9.769
   53   2HB   ASN   8          3HB       ASN   8   0.326 -10.537  -8.018
   54   1HD2  ASN   8          1HD       ASN   8   1.278  -8.903  -7.061
   55   2HD2  ASN   8          2HD       ASN   8   2.431  -7.815  -7.755
   56    H    LYS   9           HN       LYS   9   0.672 -12.786 -10.990
   57    HA   LYS   9           HA       LYS   9   2.771 -13.693 -12.446
   58   1HB   LYS   9          2HB       LYS   9   0.034 -12.736 -13.029
   59   2HB   LYS   9          3HB       LYS   9   1.126 -12.723 -14.398
   60   1HG   LYS   9          2HG       LYS   9   1.260 -15.179 -12.705
   61   2HG   LYS   9          3HG       LYS   9  -0.258 -14.944 -13.546
   62   1HD   LYS   9          2HD       LYS   9   0.828 -15.975 -15.284
   63   2HD   LYS   9          3HD       LYS   9   1.472 -14.373 -15.584
   64   1HE   LYS   9          2HE       LYS   9   3.540 -14.865 -14.471
   65   2HE   LYS   9          3HE       LYS   9   2.878 -16.279 -13.675
   66   1HZ   LYS   9          1HZ       LYS   9   2.648 -17.287 -15.875
   67   2HZ   LYS   9          2HZ       LYS   9   3.375 -15.994 -16.556
   68   3HZ   LYS   9          3HZ       LYS   9   4.202 -16.941 -15.514
   69    H    LYS  10           HN       LYS  10   1.334 -10.362 -12.723
   70    HA   LYS  10           HA       LYS  10   3.026  -9.273 -14.496
   71   1HB   LYS  10          2HB       LYS  10   1.370  -8.300 -12.288
   72   2HB   LYS  10          3HB       LYS  10   2.740  -7.255 -12.603
   73   1HG   LYS  10          2HG       LYS  10   1.481  -8.167 -15.103
   74   2HG   LYS  10          3HG       LYS  10   0.331  -7.347 -14.065
   75   1HD   LYS  10          2HD       LYS  10   1.190  -5.440 -14.997
   76   2HD   LYS  10          3HD       LYS  10   2.475  -5.652 -13.825
   77   1HE   LYS  10          2HE       LYS  10   3.998  -6.413 -15.412
   78   2HE   LYS  10          3HE       LYS  10   2.765  -7.179 -16.393
   79   1HZ   LYS  10          1HZ       LYS  10   2.057  -4.995 -17.104
   80   2HZ   LYS  10          2HZ       LYS  10   3.206  -4.280 -16.190
   81   3HZ   LYS  10          3HZ       LYS  10   3.636  -5.224 -17.451
   82    H    GLY  11           HN       GLY  11   3.651  -8.597 -10.998
   83   1HA   GLY  11          1HA       GLY  11   6.436  -9.434 -11.350
   84   2HA   GLY  11          2HA       GLY  11   6.131  -7.749 -10.977
   85    H    ASN  12           HN       ASN  12   5.063  -7.171  -8.937
   86    HA   ASN  12           HA       ASN  12   4.270  -9.042  -7.085
   87   1HB   ASN  12          2HB       ASN  12   6.234  -8.795  -5.446
   88   2HB   ASN  12          3HB       ASN  12   6.557  -9.803  -6.842
   89   1HD2  ASN  12          1HD       ASN  12   8.703  -8.976  -5.679
   90   2HD2  ASN  12          2HD       ASN  12   9.498  -7.671  -6.493
   91    H    VAL  13           HN       VAL  13   3.214  -7.871  -5.407
   92    HA   VAL  13           HA       VAL  13   3.774  -4.986  -5.361
   93    HB   VAL  13           HB       VAL  13   1.598  -5.619  -6.330
   94   1HG1  VAL  13          1HG       VAL  13   1.112  -6.854  -3.601
   95   2HG1  VAL  13          2HG       VAL  13  -0.169  -6.511  -4.789
   96   3HG1  VAL  13          3HG       VAL  13   1.119  -7.677  -5.180
   97   1HG2  VAL  13          1HG       VAL  13   1.453  -4.200  -3.648
   98   2HG2  VAL  13          2HG       VAL  13   1.828  -3.462  -5.225
   99   3HG2  VAL  13          3HG       VAL  13   0.207  -4.131  -4.918
  100    H    THR  14           HN       THR  14   5.438  -6.621  -3.871
  101    HA   THR  14           HA       THR  14   4.708  -7.460  -1.406
  102    HB   THR  14           HB       THR  14   7.181  -5.999  -2.438
  103    HG1  THR  14           HG1      THR  14   6.593  -8.723  -1.530
  104   1HG2  THR  14          1HG       THR  14   6.708  -7.378   0.255
  105   2HG2  THR  14          2HG       THR  14   8.323  -7.072  -0.427
  106   3HG2  THR  14          3HG       THR  14   7.263  -5.707  -0.001
  107    H    PHE  15           HN       PHE  15   3.628  -6.648   0.268
  108    HA   PHE  15           HA       PHE  15   3.084  -3.848   0.341
  109   1HB   PHE  15          2HB       PHE  15   2.534  -6.313   2.082
  110   2HB   PHE  15          3HB       PHE  15   2.005  -4.724   2.598
  111    HD1  PHE  15           HD1      PHE  15   1.920  -6.582  -0.650
  112    HD2  PHE  15           HD2      PHE  15  -0.250  -4.424   2.290
  113    HE1  PHE  15           HE1      PHE  15  -0.176  -6.838  -2.007
  114    HE2  PHE  15           HE2      PHE  15  -2.345  -4.681   0.933
  115    HZ   PHE  15           HZ       PHE  15  -2.283  -5.885  -1.200
  116    H    ASP  16           HN       ASP  16   3.169  -2.851   2.763
  117    HA   ASP  16           HA       ASP  16   5.719  -3.532   3.943
  118   1HB   ASP  16          2HB       ASP  16   4.896  -0.760   2.970
  119   2HB   ASP  16          3HB       ASP  16   6.197  -1.008   4.118
  120    H    HIS  17           HN       HIS  17   5.468  -3.539   6.196
  121    HA   HIS  17           HA       HIS  17   3.219  -1.987   7.253
  122   1HB   HIS  17          2HB       HIS  17   3.175  -4.658   7.130
  123   2HB   HIS  17          3HB       HIS  17   4.088  -4.498   8.618
  124    HD1  HIS  17           HD1      HIS  17   2.777  -4.040  10.728
  125    HD2  HIS  17           HD2      HIS  17   0.539  -3.332   7.252
  126    HE1  HIS  17           HE1      HIS  17   0.388  -3.578  11.498
  127    H    LYS  18           HN       LYS  18   6.198  -3.783   8.328
  128    HA   LYS  18           HA       LYS  18   6.603  -1.853  10.415
  129   1HB   LYS  18          2HB       LYS  18   7.268  -4.533  10.006
  130   2HB   LYS  18          3HB       LYS  18   8.804  -3.699   9.905
  131   1HG   LYS  18          2HG       LYS  18   7.982  -2.425  12.068
  132   2HG   LYS  18          3HG       LYS  18   6.832  -3.739  12.210
  133   1HD   LYS  18          2HD       LYS  18   8.429  -5.200  12.924
  134   2HD   LYS  18          3HD       LYS  18   9.531  -4.750  11.639
  135   1HE   LYS  18          2HE       LYS  18   9.085  -2.957  14.061
  136   2HE   LYS  18          3HE       LYS  18  10.274  -4.244  14.077
  137   1HZ   LYS  18          1HZ       LYS  18  10.320  -2.434  11.821
  138   2HZ   LYS  18          2HZ       LYS  18  10.845  -1.852  13.252
  139   3HZ   LYS  18          3HZ       LYS  18  11.559  -3.164  12.594
  140    H    ALA  19           HN       ALA  19   7.639  -2.406   7.089
  141    HA   ALA  19           HA       ALA  19   9.921  -0.672   7.323
  142   1HB   ALA  19          1HB       ALA  19   9.630  -2.698   5.764
  143   2HB   ALA  19          2HB       ALA  19   8.578  -1.648   4.784
  144   3HB   ALA  19          3HB       ALA  19  10.284  -1.211   5.036
  145    H    HIS  20           HN       HIS  20   6.473  -0.399   6.782
  146    HA   HIS  20           HA       HIS  20   6.835   2.264   5.654
  147   1HB   HIS  20          2HB       HIS  20   4.716   0.198   5.556
  148   2HB   HIS  20          3HB       HIS  20   4.143   1.849   5.680
  149    HD1  HIS  20           HD1      HIS  20   7.340   1.503   3.827
  150    HD2  HIS  20           HD2      HIS  20   3.239   1.473   2.945
  151    HE1  HIS  20           HE1      HIS  20   7.150   1.806   1.301
  152    H    ALA  21           HN       ALA  21   5.369   0.466   8.412
  153    HA   ALA  21           HA       ALA  21   4.232   2.705   9.648
  154   1HB   ALA  21          1HB       ALA  21   5.233   0.060  10.779
  155   2HB   ALA  21          2HB       ALA  21   4.184   1.210  11.641
  156   3HB   ALA  21          3HB       ALA  21   3.596   0.400  10.169
  157    H    GLU  22           HN       GLU  22   7.504   1.871   9.067
  158    HA   GLU  22           HA       GLU  22   8.577   2.870  11.473
  159   1HB   GLU  22          2HB       GLU  22  10.742   2.746  10.279
  160   2HB   GLU  22          3HB       GLU  22   9.812   1.277  10.058
  161   1HG   GLU  22          2HG       GLU  22  10.289   1.610   7.837
  162   2HG   GLU  22          3HG       GLU  22   8.912   2.693   7.903
  163    H    LYS  23           HN       LYS  23   7.403   4.284   8.471
  164    HA   LYS  23           HA       LYS  23   8.448   6.881   9.368
  165   1HB   LYS  23          2HB       LYS  23   8.415   7.548   6.973
  166   2HB   LYS  23          3HB       LYS  23   9.574   6.286   7.339
  167   1HG   LYS  23          2HG       LYS  23   7.209   4.877   6.722
  168   2HG   LYS  23          3HG       LYS  23   7.222   6.200   5.573
  169   1HD   LYS  23          2HD       LYS  23   9.908   5.191   5.710
  170   2HD   LYS  23          3HD       LYS  23   8.850   3.801   5.585
  171   1HE   LYS  23          2HE       LYS  23   7.667   5.282   3.685
  172   2HE   LYS  23          3HE       LYS  23   9.228   6.078   3.637
  173   1HZ   LYS  23          1HZ       LYS  23  10.098   3.680   3.536
  174   2HZ   LYS  23          2HZ       LYS  23   8.589   3.303   3.039
  175   3HZ   LYS  23          3HZ       LYS  23   9.491   4.362   2.182
  176    H    LEU  24           HN       LEU  24   5.739   5.017   7.911
  177    HA   LEU  24           HA       LEU  24   3.957   7.126   7.657
  178   1HB   LEU  24          2HB       LEU  24   3.672   4.161   8.012
  179   2HB   LEU  24          3HB       LEU  24   2.254   5.191   7.979
  180    HG   LEU  24           HG       LEU  24   3.045   6.060   5.738
  181   1HD1  LEU  24          1HD       LEU  24   4.705   4.875   4.497
  182   2HD1  LEU  24          2HD       LEU  24   5.426   5.341   6.057
  183   3HD1  LEU  24          3HD       LEU  24   4.894   3.664   5.788
  184   1HD2  LEU  24          1HD       LEU  24   1.393   4.063   6.302
  185   2HD2  LEU  24          2HD       LEU  24   1.842   4.472   4.629
  186   3HD2  LEU  24          3HD       LEU  24   2.642   3.116   5.460
  187    H    GLY  25           HN       GLY  25   3.556   4.581  10.193
  188   1HA   GLY  25          1HA       GLY  25   3.783   5.284  12.535
  189   2HA   GLY  25          2HA       GLY  25   2.949   6.763  12.101
  190    H    CYS  26           HN       CYS  26   1.860   3.926  10.387
  191    HA   CYS  26           HA       CYS  26   0.118   2.586  10.606
  192   1HB   CYS  26          2HB       CYS  26  -0.733   3.507  13.298
  193   2HB   CYS  26          3HB       CYS  26  -0.688   1.893  12.617
  194    H    ASP  27           HN       ASP  27  -0.605   5.620  12.500
  195    HA   ASP  27           HA       ASP  27  -3.159   5.955  11.828
  196   1HB   ASP  27          2HB       ASP  27  -1.055   8.170  11.847
  197   2HB   ASP  27          3HB       ASP  27  -2.775   8.406  12.079
  198    H    ALA  28           HN       ALA  28  -0.295   6.259   9.772
  199    HA   ALA  28           HA       ALA  28  -1.305   7.917   7.771
  200   1HB   ALA  28          1HB       ALA  28   1.083   6.757   8.329
  201   2HB   ALA  28          2HB       ALA  28   0.526   5.688   7.019
  202   3HB   ALA  28          3HB       ALA  28   0.677   7.439   6.736
  203    H    CYS  29           HN       CYS  29  -1.611   4.392   8.399
  204    HA   CYS  29           HA       CYS  29  -3.276   4.204   6.007
  205   1HB   CYS  29          2HB       CYS  29  -2.217   1.922   7.676
  206   2HB   CYS  29          3HB       CYS  29  -2.957   1.837   6.091
  207    H    HIS  30           HN       HIS  30  -3.086   3.163   9.492
  208    HA   HIS  30           HA       HIS  30  -5.957   2.804   9.498
  209   1HB   HIS  30          2HB       HIS  30  -3.960   2.356  11.732
  210   2HB   HIS  30          3HB       HIS  30  -5.627   1.820  11.692
  211    HD1  HIS  30           HD1      HIS  30  -6.200  -0.272  10.247
  212    HD2  HIS  30           HD2      HIS  30  -2.152   0.826  10.160
  213    HE1  HIS  30           HE1      HIS  30  -4.950  -2.228   9.186
  214    H    GLU  31           HN       GLU  31  -6.752   3.546  12.012
  215    HA   GLU  31           HA       GLU  31  -5.772   5.974  12.890
  216   1HB   GLU  31          2HB       GLU  31  -6.832   6.556  10.543
  217   2HB   GLU  31          3HB       GLU  31  -8.362   6.423  11.387
  218   1HG   GLU  31          2HG       GLU  31  -7.187   8.013  13.173
  219   2HG   GLU  31          3HG       GLU  31  -6.114   8.399  11.843
  220    H    GLY  32           HN       GLY  32  -6.164   5.276  14.980
  221   1HA   GLY  32          1HA       GLY  32  -7.394   5.008  16.857
  222   2HA   GLY  32          2HA       GLY  32  -8.847   5.389  15.952
  223    H    THR  33           HN       THR  33  -6.585   2.796  16.914
  224    HA   THR  33           HA       THR  33  -6.898   0.609  17.186
  225    HB   THR  33           HB       THR  33  -9.840   1.124  16.514
  226    HG1  THR  33           HG1      THR  33  -9.913   1.634  18.799
  227   1HG2  THR  33          1HG       THR  33  -8.362  -1.216  17.375
  228   2HG2  THR  33          2HG       THR  33  -9.362  -0.649  18.734
  229   3HG2  THR  33          3HG       THR  33 -10.122  -1.044  17.173
  230    HA   PRO  34           HA       PRO  34  -6.379  -0.290  12.925
  231   1HB   PRO  34          2HB       PRO  34  -4.365  -2.109  13.248
  232   2HB   PRO  34          3HB       PRO  34  -4.084  -0.389  13.061
  233   1HG   PRO  34          2HG       PRO  34  -3.922  -2.038  15.509
  234   2HG   PRO  34          3HG       PRO  34  -3.248  -0.448  15.210
  235   1HD   PRO  34          2HD       PRO  34  -5.592  -1.057  16.746
  236   2HD   PRO  34          3HD       PRO  34  -4.984   0.538  16.350
  237    H    ALA  35           HN       ALA  35  -6.443  -2.286  11.525
  238    HA   ALA  35           HA       ALA  35  -7.322  -4.671  12.711
  239   1HB   ALA  35          1HB       ALA  35  -9.675  -3.702  11.278
  240   2HB   ALA  35          2HB       ALA  35  -9.554  -4.433  12.897
  241   3HB   ALA  35          3HB       ALA  35  -9.302  -2.683  12.689
  242    H    LYS  36           HN       LYS  36  -8.381  -6.112  10.866
  243    HA   LYS  36           HA       LYS  36  -6.551  -6.064   8.734
  244   1HB   LYS  36          2HB       LYS  36  -7.571  -8.058   8.041
  245   2HB   LYS  36          3HB       LYS  36  -7.722  -8.066   9.786
  246   1HG   LYS  36          2HG       LYS  36  -9.920  -8.557   9.296
  247   2HG   LYS  36          3HG       LYS  36 -10.052  -6.812   9.201
  248   1HD   LYS  36          2HD       LYS  36 -11.011  -7.432   7.159
  249   2HD   LYS  36          3HD       LYS  36  -9.352  -7.151   6.669
  250   1HE   LYS  36          2HE       LYS  36  -9.949  -9.262   5.702
  251   2HE   LYS  36          3HE       LYS  36  -8.920  -9.654   7.065
  252   1HZ   LYS  36          1HZ       LYS  36 -11.253 -10.757   6.714
  253   2HZ   LYS  36          2HZ       LYS  36 -10.645 -10.499   8.208
  254   3HZ   LYS  36          3HZ       LYS  36 -11.755  -9.473   7.589
  255    H    ILE  37           HN       ILE  37  -6.517  -4.520   7.188
  256    HA   ILE  37           HA       ILE  37  -8.868  -3.064   6.526
  257    HB   ILE  37           HB       ILE  37  -6.110  -3.149   5.301
  258   1HG1  ILE  37          2HG       ILE  37  -7.346  -1.106   7.168
  259   2HG1  ILE  37          3HG       ILE  37  -6.283  -2.399   7.689
  260   1HG2  ILE  37          1HG       ILE  37  -7.644  -2.376   3.621
  261   2HG2  ILE  37          2HG       ILE  37  -8.428  -1.271   4.778
  262   3HG2  ILE  37          3HG       ILE  37  -6.749  -0.978   4.266
  263   1HD1  ILE  37          1HD       ILE  37  -5.031  -1.099   5.443
  264   2HD1  ILE  37          2HD       ILE  37  -5.561   0.154   6.590
  265   3HD1  ILE  37          3HD       ILE  37  -4.481  -1.152   7.135
  266    H    ALA  38           HN       ALA  38  -9.607  -2.848   4.173
  267    HA   ALA  38           HA       ALA  38  -9.921  -5.564   3.134
  268   1HB   ALA  38          1HB       ALA  38 -11.753  -4.243   1.775
  269   2HB   ALA  38          2HB       ALA  38 -12.039  -4.656   3.482
  270   3HB   ALA  38          3HB       ALA  38 -11.524  -3.012   3.039
  271    H    ILE  39           HN       ILE  39  -7.965  -5.842   1.989
  272    HA   ILE  39           HA       ILE  39  -7.484  -3.864  -0.122
  273    HB   ILE  39           HB       ILE  39  -5.735  -5.669   1.482
  274   1HG1  ILE  39          2HG       ILE  39  -6.150  -3.151   1.861
  275   2HG1  ILE  39          3HG       ILE  39  -4.502  -3.750   1.902
  276   1HG2  ILE  39          1HG       ILE  39  -3.915  -5.427  -0.162
  277   2HG2  ILE  39          2HG       ILE  39  -5.267  -6.405  -0.782
  278   3HG2  ILE  39          3HG       ILE  39  -5.069  -4.719  -1.318
  279   1HD1  ILE  39          1HD       ILE  39  -4.175  -3.055  -0.467
  280   2HD1  ILE  39          2HD       ILE  39  -5.849  -2.453  -0.514
  281   3HD1  ILE  39          3HD       ILE  39  -4.653  -1.679   0.554
  282    H    ASP  40           HN       ASP  40  -7.488  -4.468  -2.283
  283    HA   ASP  40           HA       ASP  40  -7.290  -7.048  -3.176
  284   1HB   ASP  40          2HB       ASP  40  -9.907  -6.436  -2.098
  285   2HB   ASP  40          3HB       ASP  40 -10.060  -6.607  -3.835
  286    H    LYS  41           HN       LYS  41  -8.357  -7.129  -5.589
  287    HA   LYS  41           HA       LYS  41  -7.426  -4.796  -6.899
  288   1HB   LYS  41          2HB       LYS  41  -8.895  -7.236  -7.942
  289   2HB   LYS  41          3HB       LYS  41  -8.169  -5.999  -8.947
  290   1HG   LYS  41          2HG       LYS  41  -6.166  -7.044  -8.782
  291   2HG   LYS  41          3HG       LYS  41  -6.165  -6.766  -7.051
  292   1HD   LYS  41          2HD       LYS  41  -7.974  -8.966  -7.722
  293   2HD   LYS  41          3HD       LYS  41  -6.382  -9.265  -8.391
  294   1HE   LYS  41          2HE       LYS  41  -5.496  -9.684  -6.336
  295   2HE   LYS  41          3HE       LYS  41  -6.162  -8.206  -5.668
  296   1HZ   LYS  41          1HZ       LYS  41  -8.303  -9.842  -6.015
  297   2HZ   LYS  41          2HZ       LYS  41  -7.140 -10.841  -5.454
  298   3HZ   LYS  41          3HZ       LYS  41  -7.558  -9.513  -4.600
  299    H    LYS  42           HN       LYS  42  -9.043  -3.526  -5.333
  300    HA   LYS  42           HA       LYS  42 -11.117  -2.610  -7.082
  301   1HB   LYS  42          2HB       LYS  42 -11.756  -4.542  -5.025
  302   2HB   LYS  42          3HB       LYS  42 -12.541  -3.015  -4.677
  303   1HG   LYS  42          2HG       LYS  42 -13.900  -3.125  -6.537
  304   2HG   LYS  42          3HG       LYS  42 -12.651  -3.833  -7.542
  305   1HD   LYS  42          2HD       LYS  42 -13.148  -6.022  -6.879
  306   2HD   LYS  42          3HD       LYS  42 -13.758  -5.529  -5.311
  307   1HE   LYS  42          2HE       LYS  42 -15.772  -6.033  -6.364
  308   2HE   LYS  42          3HE       LYS  42 -15.655  -4.332  -6.767
  309   1HZ   LYS  42          1HZ       LYS  42 -15.868  -6.345  -8.534
  310   2HZ   LYS  42          2HZ       LYS  42 -15.390  -4.825  -8.893
  311   3HZ   LYS  42          3HZ       LYS  42 -14.276  -5.987  -8.617
  312    H    SER  43           HN       SER  43  -9.849  -2.612  -3.682
  313    HA   SER  43           HA       SER  43 -10.178   0.275  -3.729
  314   1HB   SER  43          2HB       SER  43 -10.532  -1.769  -1.707
  315   2HB   SER  43          3HB       SER  43  -9.310  -0.640  -1.155
  316    HG   SER  43           HG       SER  43 -11.669  -0.135  -0.689
  317    H    ALA  44           HN       ALA  44  -7.829  -2.402  -3.340
  318    HA   ALA  44           HA       ALA  44  -5.647  -0.975  -2.438
  319   1HB   ALA  44          1HB       ALA  44  -5.866  -3.461  -2.634
  320   2HB   ALA  44          2HB       ALA  44  -5.681  -3.304  -4.398
  321   3HB   ALA  44          3HB       ALA  44  -4.345  -2.837  -3.317
  322    H    HIS  45           HN       HIS  45  -7.364  -0.773  -5.455
  323    HA   HIS  45           HA       HIS  45  -5.062   0.499  -6.719
  324   1HB   HIS  45          2HB       HIS  45  -7.550  -0.828  -7.726
  325   2HB   HIS  45          3HB       HIS  45  -6.824   0.432  -8.704
  326    HD1  HIS  45           HD1      HIS  45  -6.017  -1.152 -10.565
  327    HD2  HIS  45           HD2      HIS  45  -4.543  -2.139  -6.764
  328    HE1  HIS  45           HE1      HIS  45  -4.200  -2.905 -10.936
  329    H    LYS  46           HN       LYS  46  -7.285   1.399  -4.563
  330    HA   LYS  46           HA       LYS  46  -7.802   3.951  -5.923
  331   1HB   LYS  46          2HB       LYS  46  -9.642   2.098  -4.736
  332   2HB   LYS  46          3HB       LYS  46  -9.642   3.568  -3.783
  333   1HG   LYS  46          2HG       LYS  46  -9.911   4.894  -5.936
  334   2HG   LYS  46          3HG       LYS  46 -10.057   3.378  -6.803
  335   1HD   LYS  46          2HD       LYS  46 -11.877   3.148  -4.640
  336   2HD   LYS  46          3HD       LYS  46 -12.064   4.796  -5.205
  337   1HE   LYS  46          2HE       LYS  46 -13.249   4.069  -6.996
  338   2HE   LYS  46          3HE       LYS  46 -11.882   3.113  -7.535
  339   1HZ   LYS  46          1HZ       LYS  46 -12.611   1.315  -6.211
  340   2HZ   LYS  46          2HZ       LYS  46 -13.767   2.204  -5.477
  341   3HZ   LYS  46          3HZ       LYS  46 -13.908   1.831  -7.060
  342    H    ASP  47           HN       ASP  47  -8.731   5.269  -3.524
  343    HA   ASP  47           HA       ASP  47  -6.544   6.441  -2.634
  344   1HB   ASP  47          2HB       ASP  47  -8.896   5.662  -0.846
  345   2HB   ASP  47          3HB       ASP  47  -7.792   6.990  -0.549
  346    H    ALA  48           HN       ALA  48  -7.763   3.215  -1.759
  347    HA   ALA  48           HA       ALA  48  -6.686   2.636   0.620
  348   1HB   ALA  48          1HB       ALA  48  -7.892   1.176  -1.192
  349   2HB   ALA  48          2HB       ALA  48  -6.240   0.755  -1.702
  350   3HB   ALA  48          3HB       ALA  48  -6.779   0.392  -0.045
  351    H    CYS  49           HN       CYS  49  -4.877   2.531  -2.532
  352    HA   CYS  49           HA       CYS  49  -2.441   2.828  -0.930
  353   1HB   CYS  49          2HB       CYS  49  -3.013   1.086  -3.302
  354   2HB   CYS  49          3HB       CYS  49  -1.392   1.707  -3.060
  355    H    LYS  50           HN       LYS  50  -3.955   3.286  -4.211
  356    HA   LYS  50           HA       LYS  50  -2.291   4.914  -5.449
  357   1HB   LYS  50          2HB       LYS  50  -5.269   4.860  -5.252
  358   2HB   LYS  50          3HB       LYS  50  -4.541   6.231  -6.064
  359   1HG   LYS  50          2HG       LYS  50  -3.126   3.971  -7.040
  360   2HG   LYS  50          3HG       LYS  50  -4.802   3.464  -6.987
  361   1HD   LYS  50          2HD       LYS  50  -5.286   5.801  -8.130
  362   2HD   LYS  50          3HD       LYS  50  -3.579   5.777  -8.524
  363   1HE   LYS  50          2HE       LYS  50  -4.161   3.285  -9.360
  364   2HE   LYS  50          3HE       LYS  50  -5.777   3.950  -9.492
  365   1HZ   LYS  50          1HZ       LYS  50  -5.171   5.066 -11.278
  366   2HZ   LYS  50          2HZ       LYS  50  -3.859   5.720 -10.558
  367   3HZ   LYS  50          3HZ       LYS  50  -3.753   4.258 -11.277
  368    H    THR  51           HN       THR  51  -4.925   6.557  -3.592
  369    HA   THR  51           HA       THR  51  -4.038   9.006  -3.387
  370    HB   THR  51           HB       THR  51  -5.237   7.139  -1.318
  371    HG1  THR  51           HG1      THR  51  -6.213   8.296  -3.330
  372   1HG2  THR  51          1HG       THR  51  -5.790   9.568  -0.252
  373   2HG2  THR  51          2HG       THR  51  -4.396   8.608   0.297
  374   3HG2  THR  51          3HG       THR  51  -4.163   9.923  -0.879
  375    H    CYS  52           HN       CYS  52  -3.129   7.134  -0.468
  376    HA   CYS  52           HA       CYS  52  -0.912   8.740  -0.005
  377   1HB   CYS  52          2HB       CYS  52  -2.206   7.287   1.631
  378   2HB   CYS  52          3HB       CYS  52  -1.280   5.928   1.027
  379    H    HIS  53           HN       HIS  53   0.230   8.806  -2.082
  380    HA   HIS  53           HA       HIS  53   2.431   7.288  -2.273
  381   1HB   HIS  53          2HB       HIS  53   0.154   5.724  -3.099
  382   2HB   HIS  53          3HB       HIS  53   1.211   5.980  -4.474
  383    HD1  HIS  53           HD1      HIS  53   3.922   5.460  -3.812
  384    HD2  HIS  53           HD2      HIS  53   0.899   3.573  -1.602
  385    HE1  HIS  53           HE1      HIS  53   5.009   3.442  -2.691
  386    H    LYS  54           HN       LYS  54  -0.289   8.749  -4.102
  387    HA   LYS  54           HA       LYS  54   1.495   9.650  -6.179
  388   1HB   LYS  54          2HB       LYS  54  -1.468  10.038  -5.676
  389   2HB   LYS  54          3HB       LYS  54  -0.615  10.739  -7.037
  390   1HG   LYS  54          2HG       LYS  54   0.137   8.433  -7.723
  391   2HG   LYS  54          3HG       LYS  54  -0.779   7.756  -6.392
  392   1HD   LYS  54          2HD       LYS  54  -2.244   7.557  -8.256
  393   2HD   LYS  54          3HD       LYS  54  -2.847   8.956  -7.389
  394   1HE   LYS  54          2HE       LYS  54  -0.814   9.884  -9.210
  395   2HE   LYS  54          3HE       LYS  54  -1.873   8.814 -10.108
  396   1HZ   LYS  54          1HZ       LYS  54  -2.935  10.922  -8.375
  397   2HZ   LYS  54          2HZ       LYS  54  -2.553  11.201  -9.938
  398   3HZ   LYS  54          3HZ       LYS  54  -3.708  10.110  -9.562
  399    H    SER  55           HN       SER  55   2.921  10.719  -4.470
  400    HA   SER  55           HA       SER  55   2.201  13.477  -4.447
  401   1HB   SER  55          2HB       SER  55   2.938  13.392  -1.834
  402   2HB   SER  55          3HB       SER  55   1.268  13.347  -2.361
  403    HG   SER  55           HG       SER  55   1.835  10.843  -2.483
  404    H    ASN  56           HN       ASN  56   4.425  10.986  -2.999
  405    HA   ASN  56           HA       ASN  56   6.621  12.769  -3.665
  406   1HB   ASN  56          2HB       ASN  56   6.076  11.371  -1.319
  407   2HB   ASN  56          3HB       ASN  56   7.191  10.280  -2.116
  408   1HD2  ASN  56          1HD       ASN  56   6.837  13.041  -0.244
  409   2HD2  ASN  56          2HD       ASN  56   8.454  13.660  -0.299
  410    H    ASN  57           HN       ASN  57   5.999   9.178  -3.392
  411    HA   ASN  57           HA       ASN  57   7.960   8.532  -5.254
  412   1HB   ASN  57          2HB       ASN  57   5.586   7.051  -4.053
  413   2HB   ASN  57          3HB       ASN  57   6.549   6.286  -5.303
  414   1HD2  ASN  57          1HD       ASN  57   6.372   5.184  -2.831
  415   2HD2  ASN  57          2HD       ASN  57   7.877   5.292  -1.982
  416    H    GLY  58           HN       GLY  58   4.431   7.710  -5.555
  417   1HA   GLY  58          1HA       GLY  58   2.976   8.410  -7.233
  418   2HA   GLY  58          2HA       GLY  58   4.328   8.967  -8.200
  419    HA   PRO  59           HA       PRO  59   4.026   4.243  -8.671
  420   1HB   PRO  59          2HB       PRO  59   1.815   2.961  -7.704
  421   2HB   PRO  59          3HB       PRO  59   3.331   3.045  -6.831
  422   1HG   PRO  59          2HG       PRO  59   0.823   4.530  -6.339
  423   2HG   PRO  59          3HG       PRO  59   2.179   4.276  -5.258
  424   1HD   PRO  59          2HD       PRO  59   1.566   6.674  -6.708
  425   2HD   PRO  59          3HD       PRO  59   2.983   6.381  -5.719
  426    H    THR  60           HN       THR  60   2.151   6.649  -9.543
  427    HA   THR  60           HA       THR  60   0.025   5.920 -10.910
  428    HB   THR  60           HB       THR  60   2.406   7.554 -11.932
  429    HG1  THR  60           HG1      THR  60  -0.105   7.963 -10.478
  430   1HG2  THR  60          1HG       THR  60   1.068   8.417 -13.625
  431   2HG2  THR  60          2HG       THR  60   0.322   6.804 -13.541
  432   3HG2  THR  60          3HG       THR  60  -0.429   8.179 -12.695
  433    H    LYS  61           HN       LYS  61   3.277   5.544 -12.485
  434    HA   LYS  61           HA       LYS  61   2.217   3.910 -14.514
  435   1HB   LYS  61          2HB       LYS  61   4.937   4.749 -13.598
  436   2HB   LYS  61          3HB       LYS  61   4.823   3.363 -14.663
  437   1HG   LYS  61          2HG       LYS  61   3.088   5.126 -15.904
  438   2HG   LYS  61          3HG       LYS  61   4.264   6.234 -15.226
  439   1HD   LYS  61          2HD       LYS  61   5.996   4.424 -16.248
  440   2HD   LYS  61          3HD       LYS  61   4.645   4.100 -17.316
  441   1HE   LYS  61          2HE       LYS  61   4.569   6.754 -17.557
  442   2HE   LYS  61          3HE       LYS  61   6.224   6.662 -16.988
  443   1HZ   LYS  61          1HZ       LYS  61   5.128   5.273 -19.333
  444   2HZ   LYS  61          2HZ       LYS  61   6.170   6.529 -19.347
  445   3HZ   LYS  61          3HZ       LYS  61   6.651   5.077 -18.778
  446    H    CYS  62           HN       CYS  62   2.283   1.647 -14.817
  447    HA   CYS  62           HA       CYS  62   1.675   0.112 -12.659
  448   1HB   CYS  62          2HB       CYS  62   2.802  -0.616 -15.358
  449   2HB   CYS  62          3HB       CYS  62   2.391  -1.838 -14.170
  450    H    GLY  63           HN       GLY  63   4.870   0.720 -14.238
  451   1HA   GLY  63          1HA       GLY  63   6.466  -1.083 -12.924
  452   2HA   GLY  63          2HA       GLY  63   6.969   0.510 -13.455
  453    H    GLY  64           HN       GLY  64   4.728   1.679 -11.603
  454   1HA   GLY  64          1HA       GLY  64   6.373   2.339  -9.440
  455   2HA   GLY  64          2HA       GLY  64   4.639   2.574  -9.544
  456    H    CYS  65           HN       CYS  65   3.227   0.564  -9.145
  457    HA   CYS  65           HA       CYS  65   4.104  -0.605  -6.709
  458   1HB   CYS  65          2HB       CYS  65   1.612  -0.470  -8.276
  459   2HB   CYS  65          3HB       CYS  65   1.825  -1.960  -7.380
  460    H    HIS  66           HN       HIS  66   3.005  -1.977  -9.906
  461    HA   HIS  66           HA       HIS  66   4.249  -4.477  -9.275
  462   1HB   HIS  66          2HB       HIS  66   2.807  -3.463 -11.738
  463   2HB   HIS  66          3HB       HIS  66   3.439  -5.090 -11.577
  464    HD1  HIS  66           HD1      HIS  66   2.009  -6.787 -10.342
  465    HD2  HIS  66           HD2      HIS  66   0.656  -2.847  -9.851
  466    HE1  HIS  66           HE1      HIS  66  -0.247  -6.949  -9.161
  467    H    ILE  67           HN       ILE  67   6.486  -4.093  -9.069
  468    HA   ILE  67           HA       ILE  67   8.026  -2.516 -10.681
  469    HB   ILE  67           HB       ILE  67   8.639  -5.072  -9.211
  470   1HG1  ILE  67          2HG       ILE  67   9.940  -3.021  -7.946
  471   2HG1  ILE  67          3HG       ILE  67   8.503  -2.201  -8.525
  472   1HG2  ILE  67          1HG       ILE  67  10.657  -3.152 -10.401
  473   2HG2  ILE  67          2HG       ILE  67  10.988  -4.639  -9.480
  474   3HG2  ILE  67          3HG       ILE  67  10.236  -4.739 -11.090
  475   1HD1  ILE  67          1HD       ILE  67   8.106  -4.903  -7.270
  476   2HD1  ILE  67          2HD       ILE  67   8.535  -3.552  -6.194
  477   3HD1  ILE  67          3HD       ILE  67   7.071  -3.456  -7.201
  478    H    LYS  68           HN       LYS  68   7.847  -2.464 -12.877
  479    HA   LYS  68           HA       LYS  68   7.050  -4.399 -14.553
  480   1HB   LYS  68          2HB       LYS  68   8.031  -1.881 -14.830
  481   2HB   LYS  68          3HB       LYS  68   9.345  -2.799 -15.536
  482   1HG   LYS  68          2HG       LYS  68   8.130  -3.258 -17.402
  483   2HG   LYS  68          3HG       LYS  68   6.788  -3.868 -16.454
  484   1HD   LYS  68          2HD       LYS  68   5.845  -1.651 -16.184
  485   2HD   LYS  68          3HD       LYS  68   7.298  -0.882 -16.789
  486   1HE   LYS  68          2HE       LYS  68   6.917  -1.783 -19.040
  487   2HE   LYS  68          3HE       LYS  68   5.582  -2.767 -18.473
  488   1HZ   LYS  68          1HZ       LYS  68   5.255  -0.029 -17.814
  489   2HZ   LYS  68          2HZ       LYS  68   5.394  -0.255 -19.426
  490   3HZ   LYS  68          3HZ       LYS  68   4.232  -1.038 -18.589
  491    HHA  HEC  98           HGM      HEC  98  -4.684  -5.440   8.879
  492    HHB  HEC  98           HDM      HEC  98  -2.048  -2.818  13.894
  493    HHC  HEC  98           HAM      HEC  98   1.448   0.789  10.036
  494    HHD  HEC  98           HBM      HEC  98  -1.619  -1.610   5.174
  495   1HMA  HEC  98          1HM       HEC  98  -4.574  -5.210  14.267
  496   2HMA  HEC  98          2HM       HEC  98  -3.134  -6.236  14.067
  497   3HMA  HEC  98          3HM       HEC  98  -2.958  -4.553  14.617
  498   1HAA  HEC  98          1HA       HEC  98  -5.064  -6.938  12.266
  499   2HAA  HEC  98          2HA       HEC  98  -5.653  -6.311  10.707
  500   1HBA  HEC  98          3HB       HEC  98  -4.707  -8.298   9.913
  501   2HBA  HEC  98          4HB       HEC  98  -3.233  -7.301   9.892
  502   1HMB  HEC  98          1HM       HEC  98  -0.768   0.318  15.042
  503   2HMB  HEC  98          2HM       HEC  98  -1.454  -1.323  15.073
  504   3HMB  HEC  98          3HM       HEC  98   0.293  -1.085  15.312
  505    HAB  HEC  98           HT2      HEC  98   1.942   1.332  11.909
  506   1HBB  HEC  98          1HT       HEC  98   3.222  -0.491  12.789
  507   2HBB  HEC  98          2HT       HEC  98   3.588   1.092  13.515
  508   3HBB  HEC  98          3HT       HEC  98   2.625  -0.100  14.418
  509   1HMC  HEC  98          1HM       HEC  98   2.560   1.612   6.751
  510   2HMC  HEC  98          2HM       HEC  98   1.489   2.672   7.698
  511   3HMC  HEC  98          3HM       HEC  98   2.558   1.517   8.528
  512    HAC  HEC  98           HT4      HEC  98  -1.005   1.066   4.890
  513   1HBC  HEC  98          1HT       HEC  98   1.288   0.191   3.413
  514   2HBC  HEC  98          2HT       HEC  98   0.781  -1.148   4.472
  515   3HBC  HEC  98          3HT       HEC  98  -0.381  -0.425   3.333
  516   1HMD  HEC  98          1HM       HEC  98  -3.056  -2.242   3.846
  517   2HMD  HEC  98          2HM       HEC  98  -2.746  -3.984   3.654
  518   3HMD  HEC  98          3HM       HEC  98  -4.413  -3.394   3.849
  519   1HAD  HEC  98          1HA       HEC  98  -5.059  -6.109   6.755
  520   2HAD  HEC  98          2HA       HEC  98  -5.422  -5.176   5.283
  521   1HBD  HEC  98          3HB       HEC  98  -2.962  -5.985   4.651
  522   2HBD  HEC  98          4HB       HEC  98  -3.412  -7.307   5.754
  523    HHA  HEC 128           HGM      HEC 128   7.937   3.490  -1.182
  524    HHB  HEC 128           HDM      HEC 128   4.005  -1.046  -2.899
  525    HHC  HEC 128           HAM      HEC 128  -0.264   1.266   1.167
  526    HHD  HEC 128           HBM      HEC 128   3.615   5.980   2.409
  527   1HMA  HEC 128          1HM       HEC 128   5.848  -1.556  -3.763
  528   2HMA  HEC 128          2HM       HEC 128   7.334  -0.759  -4.332
  529   3HMA  HEC 128          3HM       HEC 128   7.373  -1.777  -2.873
  530   1HAA  HEC 128          1HA       HEC 128   9.138   2.165  -1.872
  531   2HAA  HEC 128          2HA       HEC 128   9.354   0.413  -2.090
  532   1HBA  HEC 128          3HB       HEC 128   9.262   0.559  -4.410
  533   2HBA  HEC 128          4HB       HEC 128   8.014   1.828  -4.377
  534   1HMB  HEC 128          1HM       HEC 128   0.831  -2.699  -2.500
  535   2HMB  HEC 128          2HM       HEC 128   0.932  -1.405  -3.716
  536   3HMB  HEC 128          3HM       HEC 128   2.411  -2.239  -3.178
  537    HAB  HEC 128           HT2      HEC 128  -1.305  -0.121  -0.164
  538   1HBB  HEC 128          1HT       HEC 128  -1.278  -1.313   1.577
  539   2HBB  HEC 128          2HT       HEC 128  -1.302  -2.761   0.542
  540   3HBB  HEC 128          3HT       HEC 128   0.249  -2.103   1.115
  541   1HMC  HEC 128          1HM       HEC 128  -1.194   3.712   3.695
  542   2HMC  HEC 128          2HM       HEC 128  -1.771   3.483   2.028
  543   3HMC  HEC 128          3HM       HEC 128  -1.131   2.100   2.945
  544    HAC  HEC 128           HT4      HEC 128   1.677   6.365   3.546
  545   1HBC  HEC 128          1HT       HEC 128  -0.084   4.929   4.829
  546   2HBC  HEC 128          2HT       HEC 128  -0.244   6.702   4.858
  547   3HBC  HEC 128          3HT       HEC 128  -1.275   5.733   3.778
  548   1HMD  HEC 128          1HM       HEC 128   6.491   7.066   3.022
  549   2HMD  HEC 128          2HM       HEC 128   6.354   7.986   1.505
  550   3HMD  HEC 128          3HM       HEC 128   4.887   7.524   2.401
  551   1HAD  HEC 128          1HA       HEC 128   8.604   6.024   1.700
  552   2HAD  HEC 128          2HA       HEC 128   8.975   4.965   0.319
  553   1HBD  HEC 128          3HB       HEC 128   9.022   6.670  -1.114
  554   2HBD  HEC 128          4HB       HEC 128   7.559   7.416  -0.427
  555    HHA  HEC 158           HGM      HEC 158  -3.109  -7.715  -7.204
  556    HHB  HEC 158           HDM      HEC 158  -2.256  -5.826 -13.092
  557    HHC  HEC 158           HAM      HEC 158  -1.178   0.033 -10.941
  558    HHD  HEC 158           HBM      HEC 158  -1.609  -2.133  -5.115
  559   1HMA  HEC 158          1HM       HEC 158  -3.688  -9.309 -12.128
  560   2HMA  HEC 158          2HM       HEC 158  -4.339  -7.841 -12.893
  561   3HMA  HEC 158          3HM       HEC 158  -2.611  -8.233 -13.050
  562   1HAA  HEC 158          1HA       HEC 158  -4.151  -9.024  -8.202
  563   2HAA  HEC 158          2HA       HEC 158  -4.940  -9.386  -9.755
  564   1HBA  HEC 158          3HB       HEC 158  -2.906 -10.462 -10.617
  565   2HBA  HEC 158          4HB       HEC 158  -1.963  -9.920  -9.209
  566   1HMB  HEC 158          1HM       HEC 158  -0.289  -3.553 -15.013
  567   2HMB  HEC 158          2HM       HEC 158  -1.320  -4.945 -14.610
  568   3HMB  HEC 158          3HM       HEC 158  -2.036  -3.493 -15.349
  569    HAB  HEC 158           HT2      HEC 158  -0.163  -0.294 -13.288
  570   1HBB  HEC 158          1HT       HEC 158  -2.791   0.173 -12.587
  571   2HBB  HEC 158          2HT       HEC 158  -1.480   1.317 -12.962
  572   3HBB  HEC 158          3HT       HEC 158  -2.572   0.762 -14.252
  573   1HMC  HEC 158          1HM       HEC 158   0.344   1.810  -8.931
  574   2HMC  HEC 158          2HM       HEC 158  -1.105   1.733  -9.961
  575   3HMC  HEC 158          3HM       HEC 158  -1.225   2.370  -8.305
  576    HAC  HEC 158           HT4      HEC 158  -1.056   0.099  -4.995
  577   1HBC  HEC 158          1HT       HEC 158  -0.389   2.403  -4.883
  578   2HBC  HEC 158          2HT       HEC 158   0.111   2.412  -6.591
  579   3HBC  HEC 158          3HT       HEC 158  -1.614   2.287  -6.169
  580   1HMD  HEC 158          1HM       HEC 158  -1.794  -2.992  -3.380
  581   2HMD  HEC 158          2HM       HEC 158  -2.975  -4.220  -2.865
  582   3HMD  HEC 158          3HM       HEC 158  -1.244  -4.627  -2.937
  583   1HAD  HEC 158          1HA       HEC 158  -3.557  -6.365  -3.434
  584   2HAD  HEC 158          2HA       HEC 158  -4.162  -7.255  -4.851
  585   1HBD  HEC 158          3HB       HEC 158  -1.591  -7.977  -4.967
  586   2HBD  HEC 158          4HB       HEC 158  -1.729  -7.681  -3.217
  Start of MODEL   11
    1    H    ALA   1           HN       ALA   1   2.247  -7.237  10.782
    2    HA   ALA   1           HA       ALA   1   2.765  -9.772   9.423
    3   1HB   ALA   1          1HB       ALA   1   0.925  -8.457   8.539
    4   2HB   ALA   1          2HB       ALA   1   1.955  -7.009   8.438
    5   3HB   ALA   1          3HB       ALA   1   2.272  -8.402   7.377
    6    H    ASP   2           HN       ASP   2   3.936  -6.325   9.359
    7    HA   ASP   2           HA       ASP   2   5.925  -5.483   9.151
    8   1HB   ASP   2          2HB       ASP   2   7.288  -8.169   9.466
    9   2HB   ASP   2          3HB       ASP   2   7.842  -6.597  10.005
   10    H    VAL   3           HN       VAL   3   5.298  -5.298   6.800
   11    HA   VAL   3           HA       VAL   3   5.767  -5.440   4.645
   12    HB   VAL   3           HB       VAL   3   8.174  -7.028   5.560
   13   1HG1  VAL   3          1HG       VAL   3   8.829  -7.213   3.431
   14   2HG1  VAL   3          2HG       VAL   3   7.191  -6.698   2.961
   15   3HG1  VAL   3          3HG       VAL   3   8.495  -5.495   3.109
   16   1HG2  VAL   3          1HG       VAL   3   8.216  -4.871   6.602
   17   2HG2  VAL   3          2HG       VAL   3   9.361  -4.830   5.239
   18   3HG2  VAL   3          3HG       VAL   3   7.763  -4.061   5.083
   19    H    VAL   4           HN       VAL   4   3.876  -6.597   4.130
   20    HA   VAL   4           HA       VAL   4   3.831  -9.443   4.406
   21    HB   VAL   4           HB       VAL   4   1.969  -7.590   2.907
   22   1HG1  VAL   4          1HG       VAL   4   1.807 -10.464   3.797
   23   2HG1  VAL   4          2HG       VAL   4   0.329  -9.487   3.622
   24   3HG1  VAL   4          3HG       VAL   4   1.399  -9.741   2.223
   25   1HG2  VAL   4          1HG       VAL   4   0.934  -6.993   4.832
   26   2HG2  VAL   4          2HG       VAL   4   1.229  -8.568   5.608
   27   3HG2  VAL   4          3HG       VAL   4   2.523  -7.347   5.551
   28    H    THR   5           HN       THR   5   3.156 -10.779   2.356
   29    HA   THR   5           HA       THR   5   4.543  -9.830  -0.030
   30    HB   THR   5           HB       THR   5   5.268 -12.284   1.635
   31    HG1  THR   5           HG1      THR   5   7.114 -11.033   1.809
   32   1HG2  THR   5          1HG       THR   5   6.655 -13.064  -0.183
   33   2HG2  THR   5          2HG       THR   5   5.045 -12.806  -0.899
   34   3HG2  THR   5          3HG       THR   5   6.332 -11.601  -1.145
   35    H    TYR   6           HN       TYR   6   2.998  -9.871  -1.538
   36    HA   TYR   6           HA       TYR   6   1.141 -12.147  -1.460
   37   1HB   TYR   6          2HB       TYR   6   1.115  -9.252  -2.474
   38   2HB   TYR   6          3HB       TYR   6  -0.078 -10.393  -3.063
   39    HD1  TYR   6           HD1      TYR   6   0.099  -7.761  -1.015
   40    HD2  TYR   6           HD2      TYR   6  -0.900 -11.912  -0.746
   41    HE1  TYR   6           HE1      TYR   6  -1.363  -7.284   1.009
   42    HE2  TYR   6           HE2      TYR   6  -2.359 -11.422   1.278
   43    HH   TYR   6           HH       TYR   6  -3.161  -8.198   2.183
   44    H    GLU   7           HN       GLU   7   2.679 -13.567  -2.562
   45    HA   GLU   7           HA       GLU   7   3.844 -12.854  -4.975
   46   1HB   GLU   7          2HB       GLU   7   4.508 -15.131  -5.131
   47   2HB   GLU   7          3HB       GLU   7   4.418 -14.814  -3.410
   48   1HG   GLU   7          2HG       GLU   7   2.198 -16.111  -5.062
   49   2HG   GLU   7          3HG       GLU   7   3.333 -16.985  -4.052
   50    H    ASN   8           HN       ASN   8   3.157 -12.958  -7.116
   51    HA   ASN   8           HA       ASN   8   0.679 -14.316  -7.651
   52   1HB   ASN   8          2HB       ASN   8  -0.283 -12.314  -8.820
   53   2HB   ASN   8          3HB       ASN   8  -0.078 -12.023  -7.104
   54   1HD2  ASN   8          1HD       ASN   8   0.581 -10.063  -6.710
   55   2HD2  ASN   8          2HD       ASN   8   1.747  -9.142  -7.599
   56    H    LYS   9           HN       LYS   9   0.279 -13.446 -10.300
   57    HA   LYS   9           HA       LYS   9   2.733 -14.382 -11.550
   58   1HB   LYS   9          2HB       LYS   9   0.403 -15.385 -11.953
   59   2HB   LYS   9          3HB       LYS   9   0.057 -13.941 -12.882
   60   1HG   LYS   9          2HG       LYS   9   2.669 -15.069 -13.614
   61   2HG   LYS   9          3HG       LYS   9   1.394 -16.257 -13.797
   62   1HD   LYS   9          2HD       LYS   9   1.159 -13.429 -14.914
   63   2HD   LYS   9          3HD       LYS   9   1.862 -14.743 -15.836
   64   1HE   LYS   9          2HE       LYS   9  -0.786 -15.343 -14.578
   65   2HE   LYS   9          3HE       LYS   9  -0.816 -14.129 -15.841
   66   1HZ   LYS   9          1HZ       LYS   9  -0.152 -16.932 -16.028
   67   2HZ   LYS   9          2HZ       LYS   9  -0.956 -15.980 -17.083
   68   3HZ   LYS   9          3HZ       LYS   9   0.674 -15.920 -17.010
   69    H    LYS  10           HN       LYS  10   0.604 -11.535 -11.284
   70    HA   LYS  10           HA       LYS  10   2.092 -10.150 -13.342
   71   1HB   LYS  10          2HB       LYS  10  -0.265  -9.386 -11.603
   72   2HB   LYS  10          3HB       LYS  10   0.506  -8.273 -12.714
   73   1HG   LYS  10          2HG       LYS  10  -0.374 -10.998 -13.708
   74   2HG   LYS  10          3HG       LYS  10  -1.565  -9.727 -13.513
   75   1HD   LYS  10          2HD       LYS  10  -0.705  -8.450 -15.248
   76   2HD   LYS  10          3HD       LYS  10   0.947  -8.946 -14.945
   77   1HE   LYS  10          2HE       LYS  10   0.153 -11.314 -15.785
   78   2HE   LYS  10          3HE       LYS  10  -1.221 -10.452 -16.449
   79   1HZ   LYS  10          1HZ       LYS  10   1.385  -9.335 -16.990
   80   2HZ   LYS  10          2HZ       LYS  10   1.020 -10.734 -17.751
   81   3HZ   LYS  10          3HZ       LYS  10   0.068  -9.422 -17.953
   82    H    GLY  11           HN       GLY  11   3.947 -10.940 -11.565
   83   1HA   GLY  11          1HA       GLY  11   5.642 -10.144 -10.320
   84   2HA   GLY  11          2HA       GLY  11   5.077  -8.521 -10.669
   85    H    ASN  12           HN       ASN  12   5.998 -10.156  -8.121
   86    HA   ASN  12           HA       ASN  12   3.779 -10.239  -6.446
   87   1HB   ASN  12          2HB       ASN  12   6.601  -9.704  -5.443
   88   2HB   ASN  12          3HB       ASN  12   5.357 -10.688  -4.699
   89   1HD2  ASN  12          1HD       ASN  12   5.821 -12.739  -4.739
   90   2HD2  ASN  12          2HD       ASN  12   6.584 -13.627  -6.015
   91    H    VAL  13           HN       VAL  13   2.989  -8.655  -4.932
   92    HA   VAL  13           HA       VAL  13   4.042  -5.957  -5.381
   93    HB   VAL  13           HB       VAL  13   1.748  -6.217  -6.008
   94   1HG1  VAL  13          1HG       VAL  13   1.096  -8.194  -4.820
   95   2HG1  VAL  13          2HG       VAL  13   1.355  -7.407  -3.245
   96   3HG1  VAL  13          3HG       VAL  13   0.020  -6.877  -4.296
   97   1HG2  VAL  13          1HG       VAL  13   2.625  -4.227  -4.488
   98   2HG2  VAL  13          2HG       VAL  13   0.913  -4.352  -4.961
   99   3HG2  VAL  13          3HG       VAL  13   1.431  -4.887  -3.344
  100    H    THR  14           HN       THR  14   5.802  -7.163  -3.857
  101    HA   THR  14           HA       THR  14   5.470  -7.734  -1.264
  102    HB   THR  14           HB       THR  14   7.604  -6.096  -2.708
  103    HG1  THR  14           HG1      THR  14   8.611  -8.284  -2.345
  104   1HG2  THR  14          1HG       THR  14   8.308  -7.546  -0.200
  105   2HG2  THR  14          2HG       THR  14   8.914  -5.987  -0.811
  106   3HG2  THR  14          3HG       THR  14   7.359  -6.061   0.054
  107    H    PHE  15           HN       PHE  15   4.220  -6.886   0.274
  108    HA   PHE  15           HA       PHE  15   3.598  -4.087   0.199
  109   1HB   PHE  15          2HB       PHE  15   2.301  -6.368   0.974
  110   2HB   PHE  15          3HB       PHE  15   3.021  -5.963   2.520
  111    HD1  PHE  15           HD1      PHE  15   2.417  -3.831   3.643
  112    HD2  PHE  15           HD2      PHE  15   0.458  -5.121   0.106
  113    HE1  PHE  15           HE1      PHE  15   0.542  -2.226   4.096
  114    HE2  PHE  15           HE2      PHE  15  -1.418  -3.515   0.560
  115    HZ   PHE  15           HZ       PHE  15  -1.353  -2.087   2.550
  116    H    ASP  16           HN       ASP  16   3.628  -2.890   2.451
  117    HA   ASP  16           HA       ASP  16   6.095  -3.552   3.830
  118   1HB   ASP  16          2HB       ASP  16   5.283  -0.825   2.728
  119   2HB   ASP  16          3HB       ASP  16   6.539  -1.020   3.933
  120    H    HIS  17           HN       HIS  17   5.649  -3.610   6.041
  121    HA   HIS  17           HA       HIS  17   3.317  -2.077   6.935
  122   1HB   HIS  17          2HB       HIS  17   3.478  -4.734   6.993
  123   2HB   HIS  17          3HB       HIS  17   4.356  -4.421   8.478
  124    HD1  HIS  17           HD1      HIS  17   2.943  -4.193  10.530
  125    HD2  HIS  17           HD2      HIS  17   0.788  -3.362   7.029
  126    HE1  HIS  17           HE1      HIS  17   0.528  -3.804  11.252
  127    H    LYS  18           HN       LYS  18   6.618  -3.271   7.816
  128    HA   LYS  18           HA       LYS  18   6.716  -1.373   9.998
  129   1HB   LYS  18          2HB       LYS  18   7.577  -3.669  10.280
  130   2HB   LYS  18          3HB       LYS  18   8.755  -3.391   9.014
  131   1HG   LYS  18          2HG       LYS  18  10.116  -2.737  10.735
  132   2HG   LYS  18          3HG       LYS  18   9.256  -1.214  10.608
  133   1HD   LYS  18          2HD       LYS  18   7.518  -2.581  12.220
  134   2HD   LYS  18          3HD       LYS  18   9.016  -3.367  12.678
  135   1HE   LYS  18          2HE       LYS  18   8.800  -0.332  12.568
  136   2HE   LYS  18          3HE       LYS  18   8.311  -1.226  13.994
  137   1HZ   LYS  18          1HZ       LYS  18  10.492  -2.123  14.165
  138   2HZ   LYS  18          2HZ       LYS  18  10.964  -1.449  12.754
  139   3HZ   LYS  18          3HZ       LYS  18  10.626  -0.501  14.039
  140    H    ALA  19           HN       ALA  19   8.671  -2.108   7.019
  141    HA   ALA  19           HA       ALA  19  10.232   0.166   7.127
  142   1HB   ALA  19          1HB       ALA  19  10.671  -0.302   4.764
  143   2HB   ALA  19          2HB       ALA  19  10.599  -1.827   5.679
  144   3HB   ALA  19          3HB       ALA  19   9.218  -1.327   4.674
  145    H    HIS  20           HN       HIS  20   6.860  -0.304   6.127
  146    HA   HIS  20           HA       HIS  20   6.710   2.189   4.759
  147   1HB   HIS  20          2HB       HIS  20   5.126  -0.143   5.031
  148   2HB   HIS  20          3HB       HIS  20   4.150   1.182   5.631
  149    HD1  HIS  20           HD1      HIS  20   2.687   0.599   3.406
  150    HD2  HIS  20           HD2      HIS  20   6.443   2.362   2.783
  151    HE1  HIS  20           HE1      HIS  20   2.670   1.493   1.016
  152    H    ALA  21           HN       ALA  21   5.611   0.923   7.974
  153    HA   ALA  21           HA       ALA  21   4.496   3.327   8.846
  154   1HB   ALA  21          1HB       ALA  21   4.232   0.965   9.788
  155   2HB   ALA  21          2HB       ALA  21   5.806   1.207  10.583
  156   3HB   ALA  21          3HB       ALA  21   4.433   2.264  10.987
  157    H    GLU  22           HN       GLU  22   7.841   2.109   8.717
  158    HA   GLU  22           HA       GLU  22   9.065   3.631  10.554
  159   1HB   GLU  22          2HB       GLU  22   9.875   2.669   7.812
  160   2HB   GLU  22          3HB       GLU  22  10.962   3.739   8.675
  161   1HG   GLU  22          2HG       GLU  22  10.106   1.803  10.589
  162   2HG   GLU  22          3HG       GLU  22  10.445   0.903   9.123
  163    H    LYS  23           HN       LYS  23   8.000   4.635   7.254
  164    HA   LYS  23           HA       LYS  23   8.754   7.381   7.947
  165   1HB   LYS  23          2HB       LYS  23   8.255   6.042   5.274
  166   2HB   LYS  23          3HB       LYS  23   8.488   7.768   5.472
  167   1HG   LYS  23          2HG       LYS  23  10.499   5.738   6.533
  168   2HG   LYS  23          3HG       LYS  23  10.584   6.359   4.896
  169   1HD   LYS  23          2HD       LYS  23  11.329   8.426   5.570
  170   2HD   LYS  23          3HD       LYS  23  10.264   8.473   6.961
  171   1HE   LYS  23          2HE       LYS  23  12.582   8.366   7.746
  172   2HE   LYS  23          3HE       LYS  23  11.777   6.866   8.162
  173   1HZ   LYS  23          1HZ       LYS  23  13.523   5.975   7.143
  174   2HZ   LYS  23          2HZ       LYS  23  12.741   6.311   5.750
  175   3HZ   LYS  23          3HZ       LYS  23  13.899   7.322   6.300
  176    H    LEU  24           HN       LEU  24   6.080   5.170   7.211
  177    HA   LEU  24           HA       LEU  24   4.223   7.411   7.130
  178   1HB   LEU  24          2HB       LEU  24   3.937   4.461   6.573
  179   2HB   LEU  24          3HB       LEU  24   2.575   5.562   6.633
  180    HG   LEU  24           HG       LEU  24   4.402   6.776   4.877
  181   1HD1  LEU  24          1HD       LEU  24   4.647   3.839   4.808
  182   2HD1  LEU  24          2HD       LEU  24   4.329   4.607   3.234
  183   3HD1  LEU  24          3HD       LEU  24   5.739   5.105   4.199
  184   1HD2  LEU  24          1HD       LEU  24   2.309   7.120   4.151
  185   2HD2  LEU  24          2HD       LEU  24   2.559   5.618   3.228
  186   3HD2  LEU  24          3HD       LEU  24   1.719   5.569   4.796
  187    H    GLY  25           HN       GLY  25   2.767   4.575   8.332
  188   1HA   GLY  25          1HA       GLY  25   3.343   4.424  10.989
  189   2HA   GLY  25          2HA       GLY  25   2.286   5.818  10.879
  190    H    CYS  26           HN       CYS  26   0.774   4.473  12.206
  191    HA   CYS  26           HA       CYS  26  -0.490   2.350  10.663
  192   1HB   CYS  26          2HB       CYS  26  -1.368   2.910  13.436
  193   2HB   CYS  26          3HB       CYS  26  -1.149   1.384  12.604
  194    H    ASP  27           HN       ASP  27  -0.844   5.632  11.947
  195    HA   ASP  27           HA       ASP  27  -3.662   5.676  11.657
  196   1HB   ASP  27          2HB       ASP  27  -1.479   7.599  12.366
  197   2HB   ASP  27          3HB       ASP  27  -2.920   8.320  11.678
  198    H    ALA  28           HN       ALA  28  -0.940   5.829   9.549
  199    HA   ALA  28           HA       ALA  28  -1.854   7.744   7.686
  200   1HB   ALA  28          1HB       ALA  28   0.468   6.347   8.147
  201   2HB   ALA  28          2HB       ALA  28  -0.163   5.521   6.703
  202   3HB   ALA  28          3HB       ALA  28   0.122   7.279   6.670
  203    H    CYS  29           HN       CYS  29  -2.071   4.131   7.885
  204    HA   CYS  29           HA       CYS  29  -3.976   4.248   5.677
  205   1HB   CYS  29          2HB       CYS  29  -2.675   1.794   6.863
  206   2HB   CYS  29          3HB       CYS  29  -3.604   1.897   5.381
  207    H    HIS  30           HN       HIS  30  -3.422   3.123   9.062
  208    HA   HIS  30           HA       HIS  30  -6.270   2.511   9.247
  209   1HB   HIS  30          2HB       HIS  30  -4.193   1.852  11.329
  210   2HB   HIS  30          3HB       HIS  30  -5.767   1.122  11.082
  211    HD1  HIS  30           HD1      HIS  30  -5.700  -1.101   9.953
  212    HD2  HIS  30           HD2      HIS  30  -2.411   1.287   8.915
  213    HE1  HIS  30           HE1      HIS  30  -4.225  -2.533   8.443
  214    H    GLU  31           HN       GLU  31  -5.772   2.794  12.325
  215    HA   GLU  31           HA       GLU  31  -5.535   5.655  12.502
  216   1HB   GLU  31          2HB       GLU  31  -8.097   4.405  12.351
  217   2HB   GLU  31          3HB       GLU  31  -7.882   4.874  14.026
  218   1HG   GLU  31          2HG       GLU  31  -8.036   7.103  13.546
  219   2HG   GLU  31          3HG       GLU  31  -6.971   6.972  12.160
  220    H    GLY  32           HN       GLY  32  -6.658   5.793  15.205
  221   1HA   GLY  32          1HA       GLY  32  -4.481   5.245  16.763
  222   2HA   GLY  32          2HA       GLY  32  -6.126   5.373  17.351
  223    H    THR  33           HN       THR  33  -6.871   2.989  15.480
  224    HA   THR  33           HA       THR  33  -5.424   0.802  16.702
  225    HB   THR  33           HB       THR  33  -8.374   1.389  17.285
  226    HG1  THR  33           HG1      THR  33  -7.433   2.008  19.200
  227   1HG2  THR  33          1HG       THR  33  -7.581  -1.129  16.890
  228   2HG2  THR  33          2HG       THR  33  -6.768  -0.902  18.457
  229   3HG2  THR  33          3HG       THR  33  -8.535  -0.723  18.337
  230    HA   PRO  34           HA       PRO  34  -6.485  -0.348  12.616
  231   1HB   PRO  34          2HB       PRO  34  -4.466  -2.159  12.280
  232   2HB   PRO  34          3HB       PRO  34  -4.292  -0.453  11.922
  233   1HG   PRO  34          2HG       PRO  34  -3.241  -1.981  14.225
  234   2HG   PRO  34          3HG       PRO  34  -2.739  -0.411  13.629
  235   1HD   PRO  34          2HD       PRO  34  -4.368  -0.930  15.932
  236   2HD   PRO  34          3HD       PRO  34  -3.963   0.639  15.267
  237    H    ALA  35           HN       ALA  35  -6.155  -2.918  11.626
  238    HA   ALA  35           HA       ALA  35  -6.994  -4.891  13.375
  239   1HB   ALA  35          1HB       ALA  35  -9.054  -3.913  13.836
  240   2HB   ALA  35          2HB       ALA  35  -9.185  -3.175  12.222
  241   3HB   ALA  35          3HB       ALA  35  -9.461  -4.921  12.425
  242    H    LYS  36           HN       LYS  36  -7.831  -3.556  10.096
  243    HA   LYS  36           HA       LYS  36  -6.203  -5.307   8.710
  244   1HB   LYS  36          2HB       LYS  36  -7.402  -7.167   8.188
  245   2HB   LYS  36          3HB       LYS  36  -8.060  -6.875   9.785
  246   1HG   LYS  36          2HG       LYS  36 -10.088  -6.947   8.726
  247   2HG   LYS  36          3HG       LYS  36  -9.729  -5.289   8.286
  248   1HD   LYS  36          2HD       LYS  36  -9.589  -5.830   6.087
  249   2HD   LYS  36          3HD       LYS  36  -8.404  -7.079   6.415
  250   1HE   LYS  36          2HE       LYS  36  -9.959  -8.690   6.058
  251   2HE   LYS  36          3HE       LYS  36 -10.960  -8.044   7.342
  252   1HZ   LYS  36          1HZ       LYS  36 -10.939  -7.062   4.572
  253   2HZ   LYS  36          2HZ       LYS  36 -12.085  -8.024   5.226
  254   3HZ   LYS  36          3HZ       LYS  36 -11.892  -6.496   5.771
  255    H    ILE  37           HN       ILE  37  -6.966  -5.389   6.270
  256    HA   ILE  37           HA       ILE  37  -8.670  -3.133   5.627
  257    HB   ILE  37           HB       ILE  37  -5.801  -3.267   4.693
  258   1HG1  ILE  37          2HG       ILE  37  -7.138  -1.599   6.826
  259   2HG1  ILE  37          3HG       ILE  37  -5.718  -2.615   6.969
  260   1HG2  ILE  37          1HG       ILE  37  -7.056  -0.738   4.261
  261   2HG2  ILE  37          2HG       ILE  37  -6.394  -1.881   3.069
  262   3HG2  ILE  37          3HG       ILE  37  -8.094  -2.011   3.578
  263   1HD1  ILE  37          1HD       ILE  37  -5.929   0.170   6.064
  264   2HD1  ILE  37          2HD       ILE  37  -4.495  -0.739   6.599
  265   3HD1  ILE  37          3HD       ILE  37  -5.033  -0.841   4.905
  266    H    ALA  38           HN       ALA  38  -9.578  -3.281   3.526
  267    HA   ALA  38           HA       ALA  38  -9.405  -5.966   2.441
  268   1HB   ALA  38          1HB       ALA  38 -11.267  -3.601   2.144
  269   2HB   ALA  38          2HB       ALA  38 -11.315  -4.947   0.981
  270   3HB   ALA  38          3HB       ALA  38 -11.628  -5.251   2.706
  271    H    ILE  39           HN       ILE  39  -7.788  -6.361   1.010
  272    HA   ILE  39           HA       ILE  39  -7.214  -4.224  -0.924
  273    HB   ILE  39           HB       ILE  39  -5.378  -6.169   0.458
  274   1HG1  ILE  39          2HG       ILE  39  -5.993  -3.922   1.493
  275   2HG1  ILE  39          3HG       ILE  39  -4.287  -4.284   1.324
  276   1HG2  ILE  39          1HG       ILE  39  -5.168  -5.051  -2.242
  277   2HG2  ILE  39          2HG       ILE  39  -3.767  -4.688  -1.208
  278   3HG2  ILE  39          3HG       ILE  39  -4.267  -6.376  -1.468
  279   1HD1  ILE  39          1HD       ILE  39  -5.072  -1.930   0.586
  280   2HD1  ILE  39          2HD       ILE  39  -4.033  -2.825  -0.549
  281   3HD1  ILE  39          3HD       ILE  39  -5.790  -2.744  -0.825
  282    H    ASP  40           HN       ASP  40  -7.151  -4.774  -3.103
  283    HA   ASP  40           HA       ASP  40  -6.881  -7.318  -4.064
  284   1HB   ASP  40          2HB       ASP  40  -9.243  -7.818  -4.774
  285   2HB   ASP  40          3HB       ASP  40  -9.008  -7.907  -3.039
  286    H    LYS  41           HN       LYS  41  -7.440  -7.356  -6.493
  287    HA   LYS  41           HA       LYS  41  -6.840  -4.857  -7.647
  288   1HB   LYS  41          2HB       LYS  41  -6.073  -6.940  -8.623
  289   2HB   LYS  41          3HB       LYS  41  -7.718  -7.492  -8.859
  290   1HG   LYS  41          2HG       LYS  41  -7.880  -5.107 -10.167
  291   2HG   LYS  41          3HG       LYS  41  -6.170  -5.422 -10.384
  292   1HD   LYS  41          2HD       LYS  41  -6.667  -6.861 -12.062
  293   2HD   LYS  41          3HD       LYS  41  -7.482  -7.901 -10.909
  294   1HE   LYS  41          2HE       LYS  41  -8.940  -5.474 -11.987
  295   2HE   LYS  41          3HE       LYS  41  -8.806  -6.901 -12.994
  296   1HZ   LYS  41          1HZ       LYS  41  -9.561  -7.974 -10.703
  297   2HZ   LYS  41          2HZ       LYS  41 -10.301  -6.524 -10.575
  298   3HZ   LYS  41          3HZ       LYS  41 -10.613  -7.490 -11.854
  299    H    LYS  42           HN       LYS  42  -8.653  -3.670  -6.480
  300    HA   LYS  42           HA       LYS  42 -10.672  -3.102  -8.349
  301   1HB   LYS  42          2HB       LYS  42 -11.686  -5.178  -7.641
  302   2HB   LYS  42          3HB       LYS  42 -11.517  -4.750  -5.951
  303   1HG   LYS  42          2HG       LYS  42 -13.363  -3.396  -5.977
  304   2HG   LYS  42          3HG       LYS  42 -12.932  -2.674  -7.515
  305   1HD   LYS  42          2HD       LYS  42 -13.604  -5.340  -8.169
  306   2HD   LYS  42          3HD       LYS  42 -14.784  -4.888  -6.956
  307   1HE   LYS  42          2HE       LYS  42 -14.274  -2.797  -9.021
  308   2HE   LYS  42          3HE       LYS  42 -14.988  -4.273  -9.642
  309   1HZ   LYS  42          1HZ       LYS  42 -16.539  -3.985  -7.626
  310   2HZ   LYS  42          2HZ       LYS  42 -16.066  -2.422  -7.676
  311   3HZ   LYS  42          3HZ       LYS  42 -16.799  -3.096  -8.970
  312    H    SER  43           HN       SER  43  -9.883  -3.141  -4.808
  313    HA   SER  43           HA       SER  43 -10.660  -0.341  -4.770
  314   1HB   SER  43          2HB       SER  43 -10.441  -2.488  -2.650
  315   2HB   SER  43          3HB       SER  43 -10.361  -0.802  -2.177
  316    HG   SER  43           HG       SER  43 -12.493  -0.811  -2.263
  317    H    ALA  44           HN       ALA  44  -7.992  -2.654  -4.211
  318    HA   ALA  44           HA       ALA  44  -6.211  -0.943  -2.935
  319   1HB   ALA  44          1HB       ALA  44  -5.620  -3.194  -2.899
  320   2HB   ALA  44          2HB       ALA  44  -6.012  -3.434  -4.618
  321   3HB   ALA  44          3HB       ALA  44  -4.526  -2.569  -4.156
  322    H    HIS  45           HN       HIS  45  -7.518  -0.877  -6.142
  323    HA   HIS  45           HA       HIS  45  -5.254   0.694  -7.094
  324   1HB   HIS  45          2HB       HIS  45  -7.524  -0.742  -8.461
  325   2HB   HIS  45          3HB       HIS  45  -6.619   0.504  -9.297
  326    HD1  HIS  45           HD1      HIS  45  -6.005  -1.657 -10.878
  327    HD2  HIS  45           HD2      HIS  45  -4.256  -1.518  -7.069
  328    HE1  HIS  45           HE1      HIS  45  -4.036  -3.279 -10.937
  329    H    LYS  46           HN       LYS  46  -8.037   1.141  -5.345
  330    HA   LYS  46           HA       LYS  46  -8.715   3.642  -6.707
  331   1HB   LYS  46          2HB       LYS  46 -10.363   1.659  -5.853
  332   2HB   LYS  46          3HB       LYS  46 -10.355   2.680  -4.429
  333   1HG   LYS  46          2HG       LYS  46 -11.634   4.264  -5.445
  334   2HG   LYS  46          3HG       LYS  46 -10.586   4.312  -6.847
  335   1HD   LYS  46          2HD       LYS  46 -11.781   1.928  -7.337
  336   2HD   LYS  46          3HD       LYS  46 -13.052   2.656  -6.374
  337   1HE   LYS  46          2HE       LYS  46 -12.563   4.763  -7.998
  338   2HE   LYS  46          3HE       LYS  46 -11.985   3.498  -9.064
  339   1HZ   LYS  46          1HZ       LYS  46 -14.603   3.351  -7.751
  340   2HZ   LYS  46          2HZ       LYS  46 -14.394   4.051  -9.212
  341   3HZ   LYS  46          3HZ       LYS  46 -14.065   2.465  -9.013
  342    H    ASP  47           HN       ASP  47  -9.890   4.760  -4.221
  343    HA   ASP  47           HA       ASP  47  -7.841   6.313  -3.428
  344   1HB   ASP  47          2HB       ASP  47 -10.492   5.538  -2.323
  345   2HB   ASP  47          3HB       ASP  47  -9.380   6.157  -1.118
  346    H    ALA  48           HN       ALA  48  -8.596   2.985  -2.550
  347    HA   ALA  48           HA       ALA  48  -7.640   2.608  -0.074
  348   1HB   ALA  48          1HB       ALA  48  -6.841   0.857  -2.424
  349   2HB   ALA  48          2HB       ALA  48  -7.166   0.362  -0.746
  350   3HB   ALA  48          3HB       ALA  48  -8.501   0.916  -1.785
  351    H    CYS  49           HN       CYS  49  -5.505   2.375  -3.015
  352    HA   CYS  49           HA       CYS  49  -3.254   2.940  -1.268
  353   1HB   CYS  49          2HB       CYS  49  -3.608   1.177  -3.382
  354   2HB   CYS  49          3HB       CYS  49  -2.656   2.468  -4.087
  355    H    LYS  50           HN       LYS  50  -4.183   3.840  -4.676
  356    HA   LYS  50           HA       LYS  50  -2.719   6.156  -4.785
  357   1HB   LYS  50          2HB       LYS  50  -5.313   5.451  -6.190
  358   2HB   LYS  50          3HB       LYS  50  -4.268   6.783  -6.637
  359   1HG   LYS  50          2HG       LYS  50  -2.596   4.460  -6.396
  360   2HG   LYS  50          3HG       LYS  50  -4.008   3.976  -7.314
  361   1HD   LYS  50          2HD       LYS  50  -2.664   4.806  -9.031
  362   2HD   LYS  50          3HD       LYS  50  -3.583   6.244  -8.635
  363   1HE   LYS  50          2HE       LYS  50  -0.955   5.683  -7.221
  364   2HE   LYS  50          3HE       LYS  50  -0.957   6.407  -8.817
  365   1HZ   LYS  50          1HZ       LYS  50  -2.403   8.135  -7.948
  366   2HZ   LYS  50          2HZ       LYS  50  -2.347   7.472  -6.456
  367   3HZ   LYS  50          3HZ       LYS  50  -0.990   8.082  -7.132
  368    H    THR  51           HN       THR  51  -2.735   7.605  -3.108
  369    HA   THR  51           HA       THR  51  -4.788   9.452  -2.914
  370    HB   THR  51           HB       THR  51  -5.551   7.037  -1.700
  371    HG1  THR  51           HG1      THR  51  -7.298   8.409  -1.404
  372   1HG2  THR  51          1HG       THR  51  -4.019   7.442   0.229
  373   2HG2  THR  51          2HG       THR  51  -4.676   9.088   0.403
  374   3HG2  THR  51          3HG       THR  51  -5.714   7.678   0.717
  375    H    CYS  52           HN       CYS  52  -2.215   7.662  -1.151
  376    HA   CYS  52           HA       CYS  52  -1.414  10.208   0.023
  377   1HB   CYS  52          2HB       CYS  52  -1.444   8.776   1.780
  378   2HB   CYS  52          3HB       CYS  52  -1.116   7.363   0.797
  379    H    HIS  53           HN       HIS  53  -0.220   7.340  -1.851
  380    HA   HIS  53           HA       HIS  53   2.351   7.960  -2.231
  381   1HB   HIS  53          2HB       HIS  53   0.268   6.662  -3.918
  382   2HB   HIS  53          3HB       HIS  53   1.771   7.088  -4.711
  383    HD1  HIS  53           HD1      HIS  53   1.286   4.166  -4.587
  384    HD2  HIS  53           HD2      HIS  53   3.097   6.221  -1.409
  385    HE1  HIS  53           HE1      HIS  53   2.583   2.420  -3.252
  386    H    LYS  54           HN       LYS  54  -0.390   9.242  -4.246
  387    HA   LYS  54           HA       LYS  54   1.242  10.934  -5.767
  388   1HB   LYS  54          2HB       LYS  54  -0.995  12.067  -6.257
  389   2HB   LYS  54          3HB       LYS  54  -0.831  10.378  -6.694
  390   1HG   LYS  54          2HG       LYS  54  -2.213   9.638  -4.934
  391   2HG   LYS  54          3HG       LYS  54  -1.898  11.053  -3.948
  392   1HD   LYS  54          2HD       LYS  54  -3.523  12.325  -4.996
  393   2HD   LYS  54          3HD       LYS  54  -3.236  11.601  -6.565
  394   1HE   LYS  54          2HE       LYS  54  -5.027  10.244  -6.269
  395   2HE   LYS  54          3HE       LYS  54  -4.250   9.513  -4.878
  396   1HZ   LYS  54          1HZ       LYS  54  -6.114  10.403  -3.969
  397   2HZ   LYS  54          2HZ       LYS  54  -5.082  11.644  -3.717
  398   3HZ   LYS  54          3HZ       LYS  54  -6.150  11.709  -4.949
  399    H    SER  55           HN       SER  55   2.690  11.852  -4.136
  400    HA   SER  55           HA       SER  55   2.046  14.418  -3.511
  401   1HB   SER  55          2HB       SER  55   0.508  13.927  -1.819
  402   2HB   SER  55          3HB       SER  55   1.332  12.458  -1.340
  403    HG   SER  55           HG       SER  55   1.505  14.387   0.143
  404    H    ASN  56           HN       ASN  56   3.772  11.410  -2.645
  405    HA   ASN  56           HA       ASN  56   6.186  13.015  -2.458
  406   1HB   ASN  56          2HB       ASN  56   5.222  10.855  -0.532
  407   2HB   ASN  56          3HB       ASN  56   6.930  11.216  -0.683
  408   1HD2  ASN  56          1HD       ASN  56   4.084  11.962   0.866
  409   2HD2  ASN  56          2HD       ASN  56   4.495  13.487   1.577
  410    H    ASN  57           HN       ASN  57   8.187  11.331  -2.549
  411    HA   ASN  57           HA       ASN  57   8.143  10.099  -4.941
  412   1HB   ASN  57          2HB       ASN  57  10.241  10.518  -3.750
  413   2HB   ASN  57          3HB       ASN  57   9.774   9.460  -2.434
  414   1HD2  ASN  57          1HD       ASN  57  10.374   7.420  -2.475
  415   2HD2  ASN  57          2HD       ASN  57  11.023   6.556  -3.829
  416    H    GLY  58           HN       GLY  58   7.105   8.241  -5.686
  417   1HA   GLY  58          1HA       GLY  58   7.054   5.789  -4.391
  418   2HA   GLY  58          2HA       GLY  58   5.571   6.609  -3.947
  419    HA   PRO  59           HA       PRO  59   5.053   4.696  -8.091
  420   1HB   PRO  59          2HB       PRO  59   3.259   2.734  -7.460
  421   2HB   PRO  59          3HB       PRO  59   4.983   2.449  -7.592
  422   1HG   PRO  59          2HG       PRO  59   3.319   2.656  -5.158
  423   2HG   PRO  59          3HG       PRO  59   4.919   1.964  -5.338
  424   1HD   PRO  59          2HD       PRO  59   4.269   4.515  -4.196
  425   2HD   PRO  59          3HD       PRO  59   5.875   3.873  -4.484
  426    H    THR  60           HN       THR  60   3.932   6.020  -9.359
  427    HA   THR  60           HA       THR  60   1.214   6.611  -8.381
  428    HB   THR  60           HB       THR  60   3.378   8.362  -9.618
  429    HG1  THR  60           HG1      THR  60   1.460   8.414  -7.396
  430   1HG2  THR  60          1HG       THR  60   1.677   9.347 -10.852
  431   2HG2  THR  60          2HG       THR  60   0.401   8.584  -9.874
  432   3HG2  THR  60          3HG       THR  60   1.231  10.040  -9.274
  433    H    LYS  61           HN       LYS  61   3.308   6.425 -11.334
  434    HA   LYS  61           HA       LYS  61   1.157   6.345 -13.111
  435   1HB   LYS  61          2HB       LYS  61   2.944   5.287 -14.636
  436   2HB   LYS  61          3HB       LYS  61   3.203   6.917 -14.049
  437   1HG   LYS  61          2HG       LYS  61   4.857   6.248 -12.498
  438   2HG   LYS  61          3HG       LYS  61   4.273   4.597 -12.427
  439   1HD   LYS  61          2HD       LYS  61   5.904   4.064 -13.915
  440   2HD   LYS  61          3HD       LYS  61   4.965   4.911 -15.128
  441   1HE   LYS  61          2HE       LYS  61   7.004   6.283 -13.314
  442   2HE   LYS  61          3HE       LYS  61   7.383   5.689 -14.919
  443   1HZ   LYS  61          1HZ       LYS  61   6.798   7.858 -15.274
  444   2HZ   LYS  61          2HZ       LYS  61   5.387   7.103 -15.603
  445   3HZ   LYS  61          3HZ       LYS  61   5.592   7.864 -14.171
  446    H    CYS  62           HN       CYS  62   3.100   3.558 -13.661
  447    HA   CYS  62           HA       CYS  62   1.116   1.831 -12.406
  448   1HB   CYS  62          2HB       CYS  62   0.284   2.070 -14.636
  449   2HB   CYS  62          3HB       CYS  62   1.871   1.798 -15.330
  450    H    GLY  63           HN       GLY  63   4.132   1.994 -14.442
  451   1HA   GLY  63          1HA       GLY  63   5.212  -0.433 -13.441
  452   2HA   GLY  63          2HA       GLY  63   6.043   0.804 -14.362
  453    H    GLY  64           HN       GLY  64   4.506   0.556 -11.067
  454   1HA   GLY  64          1HA       GLY  64   7.051   1.521  -9.926
  455   2HA   GLY  64          2HA       GLY  64   5.533   2.288  -9.508
  456    H    CYS  65           HN       CYS  65   3.717   0.251  -9.195
  457    HA   CYS  65           HA       CYS  65   4.691  -0.953  -6.786
  458   1HB   CYS  65          2HB       CYS  65   1.992  -1.083  -8.147
  459   2HB   CYS  65          3HB       CYS  65   2.361  -1.808  -6.594
  460    H    HIS  66           HN       HIS  66   3.236  -2.070  -9.934
  461    HA   HIS  66           HA       HIS  66   4.020  -4.769  -9.374
  462   1HB   HIS  66          2HB       HIS  66   2.618  -3.397 -11.667
  463   2HB   HIS  66          3HB       HIS  66   3.121  -5.073 -11.774
  464    HD1  HIS  66           HD1      HIS  66   1.626  -6.815 -10.697
  465    HD2  HIS  66           HD2      HIS  66   0.658  -2.900  -9.542
  466    HE1  HIS  66           HE1      HIS  66  -0.554  -6.976  -9.382
  467    H    ILE  67           HN       ILE  67   6.004  -5.602  -9.774
  468    HA   ILE  67           HA       ILE  67   7.725  -4.094 -11.594
  469    HB   ILE  67           HB       ILE  67   8.286  -6.029  -9.353
  470   1HG1  ILE  67          2HG       ILE  67   9.557  -3.362  -9.458
  471   2HG1  ILE  67          3HG       ILE  67   7.815  -3.337  -9.269
  472   1HG2  ILE  67          1HG       ILE  67   9.786  -6.424 -11.323
  473   2HG2  ILE  67          2HG       ILE  67  10.351  -4.745 -11.155
  474   3HG2  ILE  67          3HG       ILE  67  10.620  -5.911  -9.838
  475   1HD1  ILE  67          1HD       ILE  67   8.875  -5.410  -7.556
  476   2HD1  ILE  67          2HD       ILE  67   9.788  -3.908  -7.277
  477   3HD1  ILE  67          3HD       ILE  67   8.017  -3.920  -7.095
  478    H    LYS  68           HN       LYS  68   7.996  -4.832 -13.624
  479    HA   LYS  68           HA       LYS  68   8.012  -7.715 -14.023
  480   1HB   LYS  68          2HB       LYS  68   5.765  -6.090 -14.674
  481   2HB   LYS  68          3HB       LYS  68   6.536  -6.531 -16.183
  482   1HG   LYS  68          2HG       LYS  68   6.649  -8.936 -14.840
  483   2HG   LYS  68          3HG       LYS  68   5.176  -8.265 -14.168
  484   1HD   LYS  68          2HD       LYS  68   4.491  -9.483 -16.116
  485   2HD   LYS  68          3HD       LYS  68   4.412  -7.793 -16.573
  486   1HE   LYS  68          2HE       LYS  68   6.524  -7.927 -17.772
  487   2HE   LYS  68          3HE       LYS  68   6.875  -9.511 -17.111
  488   1HZ   LYS  68          1HZ       LYS  68   5.391  -8.881 -19.379
  489   2HZ   LYS  68          2HZ       LYS  68   5.807 -10.358 -18.818
  490   3HZ   LYS  68          3HZ       LYS  68   4.409  -9.665 -18.335
  491    HHA  HEC  98           HGM      HEC  98  -4.267  -5.465   8.094
  492    HHB  HEC  98           HDM      HEC  98  -1.584  -2.767  13.043
  493    HHC  HEC  98           HAM      HEC  98   1.433   1.182   9.117
  494    HHD  HEC  98           HBM      HEC  98  -1.690  -1.330   4.348
  495   1HMA  HEC  98          1HM       HEC  98  -3.693  -4.808  13.667
  496   2HMA  HEC  98          2HM       HEC  98  -3.005  -6.360  13.135
  497   3HMA  HEC  98          3HM       HEC  98  -1.928  -5.027  13.613
  498   1HAA  HEC  98          1HA       HEC  98  -4.410  -7.034  11.454
  499   2HAA  HEC  98          2HA       HEC  98  -5.048  -6.461   9.894
  500   1HBA  HEC  98          3HB       HEC  98  -3.964  -8.366   9.088
  501   2HBA  HEC  98          4HB       HEC  98  -2.549  -7.286   9.096
  502   1HMB  HEC  98          1HM       HEC  98  -0.938   0.207  14.175
  503   2HMB  HEC  98          2HM       HEC  98  -0.627  -1.541  14.287
  504   3HMB  HEC  98          3HM       HEC  98   0.727  -0.389  14.372
  505    HAB  HEC  98           HT2      HEC  98   1.935   1.756  10.984
  506   1HBB  HEC  98          1HT       HEC  98   2.937   0.013  13.166
  507   2HBB  HEC  98          2HT       HEC  98   3.559   0.241  11.515
  508   3HBB  HEC  98          3HT       HEC  98   3.649   1.573  12.691
  509   1HMC  HEC  98          1HM       HEC  98   2.260   2.211   5.776
  510   2HMC  HEC  98          2HM       HEC  98   1.220   3.110   6.906
  511   3HMC  HEC  98          3HM       HEC  98   2.452   1.988   7.531
  512    HAC  HEC  98           HT4      HEC  98  -1.298   1.321   4.078
  513   1HBC  HEC  98          1HT       HEC  98   1.050  -0.405   3.522
  514   2HBC  HEC  98          2HT       HEC  98  -0.506  -0.277   2.669
  515   3HBC  HEC  98          3HT       HEC  98   0.788   0.900   2.339
  516   1HMD  HEC  98          1HM       HEC  98  -4.374  -3.390   3.098
  517   2HMD  HEC  98          2HM       HEC  98  -3.244  -2.015   3.094
  518   3HMD  HEC  98          3HM       HEC  98  -2.638  -3.667   2.819
  519   1HAD  HEC  98          1HA       HEC  98  -4.565  -6.189   5.958
  520   2HAD  HEC  98          2HA       HEC  98  -5.285  -5.183   4.681
  521   1HBD  HEC  98          3HB       HEC  98  -4.087  -7.199   3.859
  522   2HBD  HEC  98          4HB       HEC  98  -3.478  -5.665   3.191
  523    HHA  HEC 128           HGM      HEC 128   8.151   3.404  -1.144
  524    HHB  HEC 128           HDM      HEC 128   4.086  -0.859  -3.215
  525    HHC  HEC 128           HAM      HEC 128  -0.452   1.981   0.170
  526    HHD  HEC 128           HBM      HEC 128   3.639   6.404   1.758
  527   1HMA  HEC 128          1HM       HEC 128   6.198  -1.252  -4.229
  528   2HMA  HEC 128          2HM       HEC 128   7.910  -1.092  -3.774
  529   3HMA  HEC 128          3HM       HEC 128   6.793  -2.001  -2.729
  530   1HAA  HEC 128          1HA       HEC 128   9.221   1.375  -3.185
  531   2HAA  HEC 128          2HA       HEC 128   9.328   1.822  -1.466
  532   1HBA  HEC 128          3HB       HEC 128   9.970  -0.310  -0.835
  533   2HBA  HEC 128          4HB       HEC 128   8.788  -1.081  -1.918
  534   1HMB  HEC 128          1HM       HEC 128   0.422  -1.738  -3.620
  535   2HMB  HEC 128          2HM       HEC 128   1.852  -1.064  -4.436
  536   3HMB  HEC 128          3HM       HEC 128   2.045  -2.342  -3.214
  537    HAB  HEC 128           HT2      HEC 128  -1.434   0.631  -1.280
  538   1HBB  HEC 128          1HT       HEC 128  -1.576  -0.366   0.601
  539   2HBB  HEC 128          2HT       HEC 128  -1.913  -1.819  -0.370
  540   3HBB  HEC 128          3HT       HEC 128  -0.268  -1.518   0.239
  541   1HMC  HEC 128          1HM       HEC 128  -1.436   4.435   2.571
  542   2HMC  HEC 128          2HM       HEC 128  -1.850   4.533   0.843
  543   3HMC  HEC 128          3HM       HEC 128  -1.508   2.954   1.589
  544    HAC  HEC 128           HT4      HEC 128   1.681   7.126   2.306
  545   1HBC  HEC 128          1HT       HEC 128   0.320   7.281   4.099
  546   2HBC  HEC 128          2HT       HEC 128  -1.129   6.924   3.129
  547   3HBC  HEC 128          3HT       HEC 128  -0.137   5.592   3.769
  548   1HMD  HEC 128          1HM       HEC 128   6.325   7.250   2.770
  549   2HMD  HEC 128          2HM       HEC 128   6.778   8.069   1.256
  550   3HMD  HEC 128          3HM       HEC 128   5.064   7.922   1.709
  551   1HAD  HEC 128          1HA       HEC 128   9.089   5.183  -0.060
  552   2HAD  HEC 128          2HA       HEC 128   8.608   6.785   0.550
  553   1HBD  HEC 128          3HB       HEC 128  10.050   5.682   2.138
  554   2HBD  HEC 128          4HB       HEC 128   8.410   5.832   2.813
  555    HHA  HEC 158           HGM      HEC 158  -3.493  -7.535  -7.221
  556    HHB  HEC 158           HDM      HEC 158  -2.457  -5.861 -13.146
  557    HHC  HEC 158           HAM      HEC 158  -0.554  -0.180 -11.093
  558    HHD  HEC 158           HBM      HEC 158  -1.212  -2.186  -5.231
  559   1HMA  HEC 158          1HM       HEC 158  -3.368  -8.991 -12.507
  560   2HMA  HEC 158          2HM       HEC 158  -5.038  -8.408 -12.306
  561   3HMA  HEC 158          3HM       HEC 158  -3.876  -7.463 -13.265
  562   1HAA  HEC 158          1HA       HEC 158  -4.624  -8.748  -8.178
  563   2HAA  HEC 158          2HA       HEC 158  -5.608  -8.910  -9.652
  564   1HBA  HEC 158          3HB       HEC 158  -2.913  -9.834 -10.244
  565   2HBA  HEC 158          4HB       HEC 158  -3.468 -10.642  -8.760
  566   1HMB  HEC 158          1HM       HEC 158  -0.570  -4.934 -14.690
  567   2HMB  HEC 158          2HM       HEC 158  -2.208  -4.386 -15.114
  568   3HMB  HEC 158          3HM       HEC 158  -0.806  -3.340 -15.443
  569    HAB  HEC 158           HT2      HEC 158   0.358  -0.645 -13.411
  570   1HBB  HEC 158          1HT       HEC 158  -0.881   0.995 -12.877
  571   2HBB  HEC 158          2HT       HEC 158  -1.613   0.824 -14.491
  572   3HBB  HEC 158          3HT       HEC 158  -2.391   0.074 -13.078
  573   1HMC  HEC 158          1HM       HEC 158   0.392   2.028  -8.293
  574   2HMC  HEC 158          2HM       HEC 158   1.011   1.218  -9.752
  575   3HMC  HEC 158          3HM       HEC 158  -0.660   1.830  -9.714
  576    HAC  HEC 158           HT4      HEC 158   0.095  -0.472  -5.186
  577   1HBC  HEC 158          1HT       HEC 158  -0.513   2.184  -6.518
  578   2HBC  HEC 158          2HT       HEC 158  -1.329   1.414  -5.137
  579   3HBC  HEC 158          3HT       HEC 158   0.300   2.100  -4.937
  580   1HMD  HEC 158          1HM       HEC 158  -1.783  -2.921  -3.453
  581   2HMD  HEC 158          2HM       HEC 158  -2.730  -4.309  -2.869
  582   3HMD  HEC 158          3HM       HEC 158  -0.976  -4.471  -3.118
  583   1HAD  HEC 158          1HA       HEC 158  -3.520  -6.161  -3.414
  584   2HAD  HEC 158          2HA       HEC 158  -4.528  -6.743  -4.760
  585   1HBD  HEC 158          3HB       HEC 158  -1.982  -7.915  -5.085
  586   2HBD  HEC 158          4HB       HEC 158  -2.416  -8.074  -3.366
  Start of MODEL   12
    1    H    ALA   1           HN       ALA   1   9.858  -9.975   7.834
    2    HA   ALA   1           HA       ALA   1   7.341  -9.616   8.800
    3   1HB   ALA   1          1HB       ALA   1   9.206  -8.895  11.056
    4   2HB   ALA   1          2HB       ALA   1   7.450  -9.185  11.088
    5   3HB   ALA   1          3HB       ALA   1   8.576 -10.555  10.932
    6    H    ASP   2           HN       ASP   2   7.083  -7.171   9.620
    7    HA   ASP   2           HA       ASP   2   7.666  -5.038   9.471
    8   1HB   ASP   2          2HB       ASP   2   9.975  -5.663   7.599
    9   2HB   ASP   2          3HB       ASP   2   9.761  -4.248   8.611
   10    H    VAL   3           HN       VAL   3   7.330  -7.388   6.948
   11    HA   VAL   3           HA       VAL   3   6.214  -5.333   5.183
   12    HB   VAL   3           HB       VAL   3   7.096  -6.736   3.272
   13   1HG1  VAL   3          1HG       VAL   3   9.480  -5.649   4.688
   14   2HG1  VAL   3          2HG       VAL   3   8.866  -5.323   3.049
   15   3HG1  VAL   3          3HG       VAL   3   8.106  -4.541   4.455
   16   1HG2  VAL   3          1HG       VAL   3   8.538  -8.458   3.563
   17   2HG2  VAL   3          2HG       VAL   3   9.326  -7.703   4.970
   18   3HG2  VAL   3          3HG       VAL   3   7.776  -8.555   5.169
   19    H    VAL   4           HN       VAL   4   4.836  -6.555   3.389
   20    HA   VAL   4           HA       VAL   4   3.607  -8.940   4.519
   21    HB   VAL   4           HB       VAL   4   2.250  -6.297   4.049
   22   1HG1  VAL   4          1HG       VAL   4   1.222  -8.906   3.351
   23   2HG1  VAL   4          2HG       VAL   4   0.271  -8.205   4.682
   24   3HG1  VAL   4          3HG       VAL   4   0.468  -7.304   3.159
   25   1HG2  VAL   4          1HG       VAL   4   2.635  -8.177   6.350
   26   2HG2  VAL   4          2HG       VAL   4   2.742  -6.400   6.293
   27   3HG2  VAL   4          3HG       VAL   4   1.150  -7.197   6.284
   28    H    THR   5           HN       THR   5   4.988  -9.719   2.654
   29    HA   THR   5           HA       THR   5   4.731  -8.989   0.054
   30    HB   THR   5           HB       THR   5   4.941 -11.785   1.290
   31    HG1  THR   5           HG1      THR   5   6.867  -9.852   0.212
   32   1HG2  THR   5          1HG       THR   5   6.226 -12.297  -0.814
   33   2HG2  THR   5          2HG       THR   5   4.510 -11.963  -1.150
   34   3HG2  THR   5          3HG       THR   5   5.739 -10.715  -1.469
   35    H    TYR   6           HN       TYR   6   3.503  -9.794  -1.777
   36    HA   TYR   6           HA       TYR   6   1.042 -11.157  -1.261
   37   1HB   TYR   6          2HB       TYR   6   1.315  -8.219  -1.217
   38   2HB   TYR   6          3HB       TYR   6   0.306  -8.688  -2.571
   39    HD1  TYR   6           HD1      TYR   6   0.300  -7.858   0.843
   40    HD2  TYR   6           HD2      TYR   6  -1.598 -10.468  -1.966
   41    HE1  TYR   6           HE1      TYR   6  -1.693  -8.096   2.401
   42    HE2  TYR   6           HE2      TYR   6  -3.586 -10.698  -0.397
   43    HH   TYR   6           HH       TYR   6  -3.683 -10.361   2.445
   44    H    GLU   7           HN       GLU   7   3.359 -11.667  -2.892
   45    HA   GLU   7           HA       GLU   7   3.409 -10.800  -5.392
   46   1HB   GLU   7          2HB       GLU   7   4.624 -12.818  -4.129
   47   2HB   GLU   7          3HB       GLU   7   3.458 -13.791  -5.004
   48   1HG   GLU   7          2HG       GLU   7   4.483 -11.911  -6.895
   49   2HG   GLU   7          3HG       GLU   7   5.871 -12.493  -5.998
   50    H    ASN   8           HN       ASN   8   2.562 -11.775  -7.497
   51    HA   ASN   8           HA       ASN   8   0.052 -13.122  -7.247
   52   1HB   ASN   8          2HB       ASN   8  -0.942 -11.269  -8.880
   53   2HB   ASN   8          3HB       ASN   8  -0.973 -11.002  -7.148
   54   1HD2  ASN   8          1HD       ASN   8   0.418  -9.550  -6.188
   55   2HD2  ASN   8          2HD       ASN   8   1.318  -8.362  -7.069
   56    H    LYS   9           HN       LYS   9  -0.730 -13.809  -9.490
   57    HA   LYS   9           HA       LYS   9   1.227 -14.880 -11.030
   58   1HB   LYS   9          2HB       LYS   9  -1.652 -14.330 -11.318
   59   2HB   LYS   9          3HB       LYS   9  -0.804 -14.478 -12.843
   60   1HG   LYS   9          2HG       LYS   9  -0.348 -16.510 -10.632
   61   2HG   LYS   9          3HG       LYS   9  -1.739 -16.648 -11.688
   62   1HD   LYS   9          2HD       LYS   9   1.005 -16.260 -12.909
   63   2HD   LYS   9          3HD       LYS   9   0.551 -17.846 -12.318
   64   1HE   LYS   9          2HE       LYS   9  -1.435 -16.412 -14.070
   65   2HE   LYS   9          3HE       LYS   9   0.008 -17.039 -14.842
   66   1HZ   LYS   9          1HZ       LYS   9  -1.301 -18.838 -13.021
   67   2HZ   LYS   9          2HZ       LYS   9  -2.138 -18.488 -14.379
   68   3HZ   LYS   9          3HZ       LYS   9  -0.642 -19.134 -14.485
   69    H    LYS  10           HN       LYS  10  -0.595 -11.830 -11.818
   70    HA   LYS  10           HA       LYS  10   0.745 -11.089 -14.034
   71   1HB   LYS  10          2HB       LYS  10  -0.806  -9.763 -11.950
   72   2HB   LYS  10          3HB       LYS  10   0.407  -8.696 -12.630
   73   1HG   LYS  10          2HG       LYS  10  -1.207 -10.379 -14.543
   74   2HG   LYS  10          3HG       LYS  10  -2.009  -9.021 -13.780
   75   1HD   LYS  10          2HD       LYS  10  -0.837  -7.480 -15.002
   76   2HD   LYS  10          3HD       LYS  10   0.683  -8.327 -14.790
   77   1HE   LYS  10          2HE       LYS  10  -0.420 -10.087 -16.477
   78   2HE   LYS  10          3HE       LYS  10  -1.427  -8.725 -16.919
   79   1HZ   LYS  10          1HZ       LYS  10   0.774  -7.494 -17.103
   80   2HZ   LYS  10          2HZ       LYS  10   1.472  -8.970 -17.141
   81   3HZ   LYS  10          3HZ       LYS  10   0.390  -8.548 -18.289
   82    H    GLY  11           HN       GLY  11   1.659  -9.712 -10.799
   83   1HA   GLY  11          1HA       GLY  11   4.481 -10.152 -11.483
   84   2HA   GLY  11          2HA       GLY  11   3.933  -8.514 -11.183
   85    H    ASN  12           HN       ASN  12   3.663  -7.780  -9.075
   86    HA   ASN  12           HA       ASN  12   3.086  -9.446  -6.947
   87   1HB   ASN  12          2HB       ASN  12   5.223  -9.582  -5.769
   88   2HB   ASN  12          3HB       ASN  12   5.469 -10.235  -7.377
   89   1HD2  ASN  12          1HD       ASN  12   6.852  -8.422  -5.118
   90   2HD2  ASN  12          2HD       ASN  12   7.811  -7.324  -6.054
   91    H    VAL  13           HN       VAL  13   2.635  -8.104  -5.090
   92    HA   VAL  13           HA       VAL  13   3.437  -5.293  -5.359
   93    HB   VAL  13           HB       VAL  13   1.139  -5.548  -6.102
   94   1HG1  VAL  13          1HG       VAL  13  -0.211  -6.186  -3.666
   95   2HG1  VAL  13          2HG       VAL  13  -0.235  -7.062  -5.215
   96   3HG1  VAL  13          3HG       VAL  13   0.989  -7.460  -3.985
   97   1HG2  VAL  13          1HG       VAL  13   0.354  -3.705  -5.002
   98   2HG2  VAL  13          2HG       VAL  13   0.763  -4.348  -3.393
   99   3HG2  VAL  13          3HG       VAL  13   2.039  -3.665  -4.430
  100    H    THR  14           HN       THR  14   5.201  -6.449  -3.956
  101    HA   THR  14           HA       THR  14   4.581  -7.336  -1.383
  102    HB   THR  14           HB       THR  14   7.071  -6.061  -2.627
  103    HG1  THR  14           HG1      THR  14   6.049  -8.737  -1.987
  104   1HG2  THR  14          1HG       THR  14   8.271  -6.518  -0.709
  105   2HG2  THR  14          2HG       THR  14   6.693  -6.387   0.104
  106   3HG2  THR  14          3HG       THR  14   7.323  -7.985  -0.364
  107    H    PHE  15           HN       PHE  15   3.637  -6.335   0.268
  108    HA   PHE  15           HA       PHE  15   3.391  -3.497   0.245
  109   1HB   PHE  15          2HB       PHE  15   2.712  -5.814   2.138
  110   2HB   PHE  15          3HB       PHE  15   2.369  -4.157   2.597
  111    HD1  PHE  15           HD1      PHE  15   1.839  -6.347  -0.392
  112    HD2  PHE  15           HD2      PHE  15   0.210  -3.456   2.253
  113    HE1  PHE  15           HE1      PHE  15  -0.350  -6.461  -1.615
  114    HE2  PHE  15           HE2      PHE  15  -1.979  -3.570   1.031
  115    HZ   PHE  15           HZ       PHE  15  -2.233  -5.070  -0.889
  116    H    ASP  16           HN       ASP  16   3.614  -2.667   2.857
  117    HA   ASP  16           HA       ASP  16   6.179  -3.475   3.836
  118   1HB   ASP  16          2HB       ASP  16   5.967  -0.519   3.558
  119   2HB   ASP  16          3HB       ASP  16   7.370  -1.554   3.382
  120    H    HIS  17           HN       HIS  17   5.775  -3.622   6.047
  121    HA   HIS  17           HA       HIS  17   3.654  -1.960   7.133
  122   1HB   HIS  17          2HB       HIS  17   4.344  -4.633   7.462
  123   2HB   HIS  17          3HB       HIS  17   4.913  -3.885   8.941
  124    HD1  HIS  17           HD1      HIS  17   3.093  -4.871  10.458
  125    HD2  HIS  17           HD2      HIS  17   1.567  -2.674   7.227
  126    HE1  HIS  17           HE1      HIS  17   0.598  -4.579  10.906
  127    H    LYS  18           HN       LYS  18   7.070  -2.946   7.884
  128    HA   LYS  18           HA       LYS  18   7.287  -0.762   9.753
  129   1HB   LYS  18          2HB       LYS  18   8.401  -3.253   9.628
  130   2HB   LYS  18          3HB       LYS  18   9.705  -2.281   8.978
  131   1HG   LYS  18          2HG       LYS  18  10.135  -2.179  11.288
  132   2HG   LYS  18          3HG       LYS  18   9.250  -0.690  11.021
  133   1HD   LYS  18          2HD       LYS  18   7.192  -2.509  11.487
  134   2HD   LYS  18          3HD       LYS  18   8.454  -3.108  12.545
  135   1HE   LYS  18          2HE       LYS  18   8.661  -0.459  13.123
  136   2HE   LYS  18          3HE       LYS  18   6.977  -0.492  12.639
  137   1HZ   LYS  18          1HZ       LYS  18   7.888  -1.170  15.054
  138   2HZ   LYS  18          2HZ       LYS  18   6.437  -1.617  14.455
  139   3HZ   LYS  18          3HZ       LYS  18   7.707  -2.640  14.366
  140    H    ALA  19           HN       ALA  19   8.435  -1.660   6.463
  141    HA   ALA  19           HA       ALA  19  10.233   0.389   6.081
  142   1HB   ALA  19          1HB       ALA  19   8.952  -1.647   4.568
  143   2HB   ALA  19          2HB       ALA  19   8.716  -0.124   3.677
  144   3HB   ALA  19          3HB       ALA  19  10.359  -0.661   4.101
  145    H    HIS  20           HN       HIS  20   6.689   0.411   6.204
  146    HA   HIS  20           HA       HIS  20   6.682   3.152   5.218
  147   1HB   HIS  20          2HB       HIS  20   4.598   1.014   5.544
  148   2HB   HIS  20          3HB       HIS  20   4.104   2.695   5.505
  149    HD1  HIS  20           HD1      HIS  20   3.879   0.182   3.279
  150    HD2  HIS  20           HD2      HIS  20   6.032   3.776   3.058
  151    HE1  HIS  20           HE1      HIS  20   4.258   0.637   0.797
  152    H    ALA  21           HN       ALA  21   5.098   1.265   7.901
  153    HA   ALA  21           HA       ALA  21   4.251   3.227   9.479
  154   1HB   ALA  21          1HB       ALA  21   4.856   1.702  11.410
  155   2HB   ALA  21          2HB       ALA  21   3.987   0.909  10.075
  156   3HB   ALA  21          3HB       ALA  21   5.746   0.692  10.246
  157    H    GLU  22           HN       GLU  22   7.676   2.246   9.013
  158    HA   GLU  22           HA       GLU  22   8.884   3.519  11.022
  159   1HB   GLU  22          2HB       GLU  22  10.836   3.787   9.515
  160   2HB   GLU  22          3HB       GLU  22  10.081   2.219   9.315
  161   1HG   GLU  22          2HG       GLU  22  10.153   2.752   7.083
  162   2HG   GLU  22          3HG       GLU  22   8.675   3.625   7.442
  163    H    LYS  23           HN       LYS  23   7.458   4.998   8.079
  164    HA   LYS  23           HA       LYS  23   8.132   7.630   9.193
  165   1HB   LYS  23          2HB       LYS  23   8.052   8.504   6.967
  166   2HB   LYS  23          3HB       LYS  23   9.101   7.100   6.963
  167   1HG   LYS  23          2HG       LYS  23   7.085   5.714   6.197
  168   2HG   LYS  23          3HG       LYS  23   6.204   7.217   6.009
  169   1HD   LYS  23          2HD       LYS  23   7.242   7.694   4.040
  170   2HD   LYS  23          3HD       LYS  23   8.829   7.386   4.715
  171   1HE   LYS  23          2HE       LYS  23   7.150   4.956   4.242
  172   2HE   LYS  23          3HE       LYS  23   7.650   5.812   2.798
  173   1HZ   LYS  23          1HZ       LYS  23   9.839   5.437   3.256
  174   2HZ   LYS  23          2HZ       LYS  23   9.622   5.253   4.865
  175   3HZ   LYS  23          3HZ       LYS  23   9.182   4.060   3.839
  176    H    LEU  24           HN       LEU  24   5.558   5.847   7.348
  177    HA   LEU  24           HA       LEU  24   3.534   7.584   7.491
  178   1HB   LEU  24          2HB       LEU  24   3.626   4.602   7.785
  179   2HB   LEU  24          3HB       LEU  24   2.096   5.449   7.899
  180    HG   LEU  24           HG       LEU  24   2.650   6.483   5.627
  181   1HD1  LEU  24          1HD       LEU  24   4.959   4.647   5.971
  182   2HD1  LEU  24          2HD       LEU  24   4.191   4.683   4.365
  183   3HD1  LEU  24          3HD       LEU  24   4.826   6.184   5.083
  184   1HD2  LEU  24          1HD       LEU  24   2.301   3.479   5.606
  185   2HD2  LEU  24          2HD       LEU  24   1.019   4.613   6.094
  186   3HD2  LEU  24          3HD       LEU  24   1.678   4.673   4.442
  187    H    GLY  25           HN       GLY  25   3.644   4.985  10.008
  188   1HA   GLY  25          1HA       GLY  25   3.942   5.718  12.338
  189   2HA   GLY  25          2HA       GLY  25   2.862   7.050  11.981
  190    H    CYS  26           HN       CYS  26   1.976   4.217  10.230
  191    HA   CYS  26           HA       CYS  26   0.520   2.576  10.586
  192   1HB   CYS  26          2HB       CYS  26  -0.205   3.403  13.360
  193   2HB   CYS  26          3HB       CYS  26  -0.114   1.802  12.652
  194    H    ASP  27           HN       ASP  27  -0.363   5.631  12.359
  195    HA   ASP  27           HA       ASP  27  -3.058   5.466  11.674
  196   1HB   ASP  27          2HB       ASP  27  -1.359   7.903  12.388
  197   2HB   ASP  27          3HB       ASP  27  -3.111   7.876  12.384
  198    H    ALA  28           HN       ALA  28  -2.229   4.900   9.250
  199    HA   ALA  28           HA       ALA  28  -2.456   7.401   7.744
  200   1HB   ALA  28          1HB       ALA  28  -0.368   5.222   7.450
  201   2HB   ALA  28          2HB       ALA  28  -0.797   6.302   6.101
  202   3HB   ALA  28          3HB       ALA  28  -0.127   6.979   7.606
  203    H    CYS  29           HN       CYS  29  -2.500   3.775   7.689
  204    HA   CYS  29           HA       CYS  29  -4.635   3.994   5.696
  205   1HB   CYS  29          2HB       CYS  29  -3.825   1.350   5.709
  206   2HB   CYS  29          3HB       CYS  29  -3.435   2.566   4.510
  207    H    HIS  30           HN       HIS  30  -3.741   3.221   8.958
  208    HA   HIS  30           HA       HIS  30  -6.106   1.548   9.296
  209   1HB   HIS  30          2HB       HIS  30  -3.669   2.028  11.023
  210   2HB   HIS  30          3HB       HIS  30  -5.084   1.168  11.597
  211    HD1  HIS  30           HD1      HIS  30  -5.799  -0.910   9.743
  212    HD2  HIS  30           HD2      HIS  30  -1.798   0.314  10.043
  213    HE1  HIS  30           HE1      HIS  30  -4.394  -2.821   8.802
  214    H    GLU  31           HN       GLU  31  -6.796   2.037  11.924
  215    HA   GLU  31           HA       GLU  31  -6.823   4.587  12.807
  216   1HB   GLU  31          2HB       GLU  31  -8.311   4.493  10.407
  217   2HB   GLU  31          3HB       GLU  31  -9.524   4.515  11.672
  218   1HG   GLU  31          2HG       GLU  31  -7.292   6.409  12.156
  219   2HG   GLU  31          3HG       GLU  31  -8.182   6.748  10.685
  220    H    GLY  32           HN       GLY  32  -7.294   4.164  14.916
  221   1HA   GLY  32          1HA       GLY  32  -8.199   3.211  16.739
  222   2HA   GLY  32          2HA       GLY  32  -9.717   3.257  15.864
  223    H    THR  33           HN       THR  33  -6.988   1.265  16.883
  224    HA   THR  33           HA       THR  33  -6.720  -0.940  16.995
  225    HB   THR  33           HB       THR  33  -9.672  -1.089  16.191
  226    HG1  THR  33           HG1      THR  33  -9.014   0.329  18.064
  227   1HG2  THR  33          1HG       THR  33  -9.619  -3.117  17.675
  228   2HG2  THR  33          2HG       THR  33  -8.563  -3.316  16.256
  229   3HG2  THR  33          3HG       THR  33  -7.857  -2.925  17.843
  230    HA   PRO  34           HA       PRO  34  -5.778  -1.447  12.744
  231   1HB   PRO  34          2HB       PRO  34  -3.401  -2.743  13.118
  232   2HB   PRO  34          3HB       PRO  34  -3.536  -0.998  13.025
  233   1HG   PRO  34          2HG       PRO  34  -3.108  -2.700  15.404
  234   2HG   PRO  34          3HG       PRO  34  -2.828  -0.981  15.220
  235   1HD   PRO  34          2HD       PRO  34  -5.031  -2.225  16.571
  236   2HD   PRO  34          3HD       PRO  34  -4.809  -0.509  16.286
  237    H    ALA  35           HN       ALA  35  -6.724  -2.871  11.437
  238    HA   ALA  35           HA       ALA  35  -6.494  -5.659  12.286
  239   1HB   ALA  35          1HB       ALA  35  -9.096  -4.335  11.425
  240   2HB   ALA  35          2HB       ALA  35  -8.870  -6.030  11.920
  241   3HB   ALA  35          3HB       ALA  35  -8.668  -4.722  13.109
  242    H    LYS  36           HN       LYS  36  -7.262  -7.136  10.400
  243    HA   LYS  36           HA       LYS  36  -5.725  -6.532   8.171
  244   1HB   LYS  36          2HB       LYS  36  -6.624  -8.545   7.226
  245   2HB   LYS  36          3HB       LYS  36  -6.364  -8.804   8.939
  246   1HG   LYS  36          2HG       LYS  36  -8.542  -9.385   9.166
  247   2HG   LYS  36          3HG       LYS  36  -9.012  -7.761   8.705
  248   1HD   LYS  36          2HD       LYS  36  -8.500 -10.087   6.792
  249   2HD   LYS  36          3HD       LYS  36 -10.069  -9.432   7.215
  250   1HE   LYS  36          2HE       LYS  36  -9.625  -7.346   6.094
  251   2HE   LYS  36          3HE       LYS  36  -7.906  -7.674   5.989
  252   1HZ   LYS  36          1HZ       LYS  36  -9.758  -9.522   4.720
  253   2HZ   LYS  36          2HZ       LYS  36  -9.434  -8.102   3.981
  254   3HZ   LYS  36          3HZ       LYS  36  -8.224  -9.149   4.305
  255    H    ILE  37           HN       ILE  37  -6.022  -5.017   6.636
  256    HA   ILE  37           HA       ILE  37  -8.653  -3.887   6.303
  257    HB   ILE  37           HB       ILE  37  -6.012  -3.230   4.994
  258   1HG1  ILE  37          2HG       ILE  37  -7.405  -1.954   7.367
  259   2HG1  ILE  37          3HG       ILE  37  -5.958  -2.939   7.433
  260   1HG2  ILE  37          1HG       ILE  37  -7.133  -1.881   3.640
  261   2HG2  ILE  37          2HG       ILE  37  -8.673  -2.412   4.357
  262   3HG2  ILE  37          3HG       ILE  37  -7.801  -1.022   5.048
  263   1HD1  ILE  37          1HD       ILE  37  -5.905  -0.617   5.532
  264   2HD1  ILE  37          2HD       ILE  37  -5.864  -0.243   7.273
  265   3HD1  ILE  37          3HD       ILE  37  -4.606  -1.277   6.556
  266    H    ALA  38           HN       ALA  38  -9.902  -3.937   4.386
  267    HA   ALA  38           HA       ALA  38  -9.578  -6.363   2.902
  268   1HB   ALA  38          1HB       ALA  38 -11.764  -5.332   3.697
  269   2HB   ALA  38          2HB       ALA  38 -11.544  -4.091   2.439
  270   3HB   ALA  38          3HB       ALA  38 -11.722  -5.802   1.980
  271    H    ILE  39           HN       ILE  39  -7.538  -6.088   1.825
  272    HA   ILE  39           HA       ILE  39  -7.526  -3.944  -0.173
  273    HB   ILE  39           HB       ILE  39  -5.387  -5.457   1.274
  274   1HG1  ILE  39          2HG       ILE  39  -6.343  -3.238   2.061
  275   2HG1  ILE  39          3HG       ILE  39  -4.601  -3.334   1.900
  276   1HG2  ILE  39          1HG       ILE  39  -4.298  -5.741  -0.671
  277   2HG2  ILE  39          2HG       ILE  39  -5.295  -4.543  -1.531
  278   3HG2  ILE  39          3HG       ILE  39  -3.942  -4.004  -0.508
  279   1HD1  ILE  39          1HD       ILE  39  -4.561  -1.718   0.303
  280   2HD1  ILE  39          2HD       ILE  39  -5.872  -2.496  -0.617
  281   3HD1  ILE  39          3HD       ILE  39  -6.260  -1.402   0.733
  282    H    ASP  40           HN       ASP  40  -7.283  -4.410  -2.377
  283    HA   ASP  40           HA       ASP  40  -6.544  -6.794  -3.429
  284   1HB   ASP  40          2HB       ASP  40  -8.804  -7.722  -4.154
  285   2HB   ASP  40          3HB       ASP  40  -8.427  -7.931  -2.456
  286    H    LYS  41           HN       LYS  41  -7.315  -6.929  -5.854
  287    HA   LYS  41           HA       LYS  41  -7.030  -4.459  -7.052
  288   1HB   LYS  41          2HB       LYS  41  -6.486  -6.537  -8.172
  289   2HB   LYS  41          3HB       LYS  41  -8.157  -7.061  -8.124
  290   1HG   LYS  41          2HG       LYS  41  -8.536  -4.687  -9.372
  291   2HG   LYS  41          3HG       LYS  41  -6.872  -4.958  -9.852
  292   1HD   LYS  41          2HD       LYS  41  -7.658  -6.305 -11.501
  293   2HD   LYS  41          3HD       LYS  41  -8.085  -7.464 -10.257
  294   1HE   LYS  41          2HE       LYS  41 -10.319  -6.295  -9.997
  295   2HE   LYS  41          3HE       LYS  41  -9.888  -5.241 -11.329
  296   1HZ   LYS  41          1HZ       LYS  41  -9.433  -7.834 -12.152
  297   2HZ   LYS  41          2HZ       LYS  41 -10.904  -7.826 -11.443
  298   3HZ   LYS  41          3HZ       LYS  41 -10.588  -6.808 -12.681
  299    H    LYS  42           HN       LYS  42  -8.452  -2.944  -6.055
  300    HA   LYS  42           HA       LYS  42 -10.793  -2.466  -7.406
  301   1HB   LYS  42          2HB       LYS  42 -11.847  -4.377  -6.489
  302   2HB   LYS  42          3HB       LYS  42 -11.213  -4.074  -4.885
  303   1HG   LYS  42          2HG       LYS  42 -12.973  -2.738  -4.367
  304   2HG   LYS  42          3HG       LYS  42 -12.699  -1.739  -5.779
  305   1HD   LYS  42          2HD       LYS  42 -13.831  -4.326  -6.557
  306   2HD   LYS  42          3HD       LYS  42 -14.843  -3.548  -5.357
  307   1HE   LYS  42          2HE       LYS  42 -13.828  -1.795  -7.573
  308   2HE   LYS  42          3HE       LYS  42 -15.012  -3.006  -8.024
  309   1HZ   LYS  42          1HZ       LYS  42 -15.369  -0.645  -6.503
  310   2HZ   LYS  42          2HZ       LYS  42 -16.483  -1.567  -7.261
  311   3HZ   LYS  42          3HZ       LYS  42 -16.002  -1.946  -5.748
  312    H    SER  43           HN       SER  43  -9.450  -2.387  -4.034
  313    HA   SER  43           HA       SER  43 -10.030   0.464  -4.061
  314   1HB   SER  43          2HB       SER  43 -10.649  -1.415  -2.156
  315   2HB   SER  43          3HB       SER  43  -9.117  -0.835  -1.535
  316    HG   SER  43           HG       SER  43 -11.595   0.524  -1.808
  317    H    ALA  44           HN       ALA  44  -7.494  -2.031  -3.626
  318    HA   ALA  44           HA       ALA  44  -5.444  -0.423  -2.696
  319   1HB   ALA  44          1HB       ALA  44  -3.983  -2.197  -3.556
  320   2HB   ALA  44          2HB       ALA  44  -5.436  -2.905  -2.809
  321   3HB   ALA  44          3HB       ALA  44  -5.303  -2.810  -4.581
  322    H    HIS  45           HN       HIS  45  -7.112  -0.409  -5.746
  323    HA   HIS  45           HA       HIS  45  -4.878   0.945  -7.032
  324   1HB   HIS  45          2HB       HIS  45  -7.356  -0.439  -7.992
  325   2HB   HIS  45          3HB       HIS  45  -6.656   0.818  -8.993
  326    HD1  HIS  45           HD1      HIS  45  -6.146  -1.136 -10.747
  327    HD2  HIS  45           HD2      HIS  45  -4.022  -1.340  -7.136
  328    HE1  HIS  45           HE1      HIS  45  -4.228  -2.774 -11.137
  329    H    LYS  46           HN       LYS  46  -7.208   1.765  -4.895
  330    HA   LYS  46           HA       LYS  46  -7.773   4.305  -6.262
  331   1HB   LYS  46          2HB       LYS  46  -9.515   2.417  -4.930
  332   2HB   LYS  46          3HB       LYS  46  -9.574   3.966  -4.115
  333   1HG   LYS  46          2HG       LYS  46  -9.881   5.057  -6.417
  334   2HG   LYS  46          3HG       LYS  46 -10.055   3.445  -7.083
  335   1HD   LYS  46          2HD       LYS  46 -11.796   3.472  -4.853
  336   2HD   LYS  46          3HD       LYS  46 -12.001   5.052  -5.582
  337   1HE   LYS  46          2HE       LYS  46 -11.901   2.881  -7.590
  338   2HE   LYS  46          3HE       LYS  46 -13.213   2.680  -6.446
  339   1HZ   LYS  46          1HZ       LYS  46 -13.438   5.243  -6.974
  340   2HZ   LYS  46          2HZ       LYS  46 -12.807   4.753  -8.398
  341   3HZ   LYS  46          3HZ       LYS  46 -14.198   4.093  -7.851
  342    H    ASP  47           HN       ASP  47  -8.655   5.702  -3.936
  343    HA   ASP  47           HA       ASP  47  -6.469   6.898  -3.088
  344   1HB   ASP  47          2HB       ASP  47  -8.715   7.632  -2.445
  345   2HB   ASP  47          3HB       ASP  47  -8.953   6.204  -1.458
  346    H    ALA  48           HN       ALA  48  -7.672   3.701  -2.113
  347    HA   ALA  48           HA       ALA  48  -6.636   3.182   0.285
  348   1HB   ALA  48          1HB       ALA  48  -6.596   0.915  -0.358
  349   2HB   ALA  48          2HB       ALA  48  -7.763   1.650  -1.485
  350   3HB   ALA  48          3HB       ALA  48  -6.102   1.299  -2.025
  351    H    CYS  49           HN       CYS  49  -4.712   2.929  -2.794
  352    HA   CYS  49           HA       CYS  49  -2.351   3.456  -1.140
  353   1HB   CYS  49          2HB       CYS  49  -2.618   1.601  -3.511
  354   2HB   CYS  49          3HB       CYS  49  -1.079   2.117  -2.849
  355    H    LYS  50           HN       LYS  50  -3.829   3.581  -4.458
  356    HA   LYS  50           HA       LYS  50  -2.161   5.086  -5.846
  357   1HB   LYS  50          2HB       LYS  50  -5.045   4.729  -5.768
  358   2HB   LYS  50          3HB       LYS  50  -4.625   6.339  -6.322
  359   1HG   LYS  50          2HG       LYS  50  -3.003   4.085  -7.458
  360   2HG   LYS  50          3HG       LYS  50  -4.679   4.157  -7.962
  361   1HD   LYS  50          2HD       LYS  50  -4.249   6.672  -8.473
  362   2HD   LYS  50          3HD       LYS  50  -2.545   6.305  -8.294
  363   1HE   LYS  50          2HE       LYS  50  -2.866   6.007 -10.608
  364   2HE   LYS  50          3HE       LYS  50  -3.001   4.364 -10.010
  365   1HZ   LYS  50          1HZ       LYS  50  -5.255   4.387 -10.277
  366   2HZ   LYS  50          2HZ       LYS  50  -5.396   6.011 -10.189
  367   3HZ   LYS  50          3HZ       LYS  50  -4.802   5.315 -11.542
  368    H    THR  51           HN       THR  51  -4.768   6.789  -3.979
  369    HA   THR  51           HA       THR  51  -3.877   9.292  -4.064
  370    HB   THR  51           HB       THR  51  -5.121   7.635  -1.839
  371    HG1  THR  51           HG1      THR  51  -5.806   9.863  -3.625
  372   1HG2  THR  51          1HG       THR  51  -4.712  10.672  -1.828
  373   2HG2  THR  51          2HG       THR  51  -5.627   9.725  -0.630
  374   3HG2  THR  51          3HG       THR  51  -3.859   9.546  -0.744
  375    H    CYS  52           HN       CYS  52  -3.009   7.524  -1.048
  376    HA   CYS  52           HA       CYS  52  -0.860   9.188  -0.533
  377   1HB   CYS  52          2HB       CYS  52  -1.791   8.003   1.267
  378   2HB   CYS  52          3HB       CYS  52  -1.636   6.456   0.459
  379    H    HIS  53           HN       HIS  53   0.724   9.434  -2.117
  380    HA   HIS  53           HA       HIS  53   2.781   7.803  -2.409
  381   1HB   HIS  53          2HB       HIS  53   0.501   6.651  -3.852
  382   2HB   HIS  53          3HB       HIS  53   1.914   6.866  -4.866
  383    HD1  HIS  53           HD1      HIS  53   2.073   4.205  -4.937
  384    HD2  HIS  53           HD2      HIS  53   2.725   5.951  -1.178
  385    HE1  HIS  53           HE1      HIS  53   3.147   2.402  -3.487
  386    H    LYS  54           HN       LYS  54   0.359   9.572  -4.423
  387    HA   LYS  54           HA       LYS  54   2.385  10.674  -6.104
  388   1HB   LYS  54          2HB       LYS  54   0.439  12.073  -6.928
  389   2HB   LYS  54          3HB       LYS  54   0.282  10.337  -7.110
  390   1HG   LYS  54          2HG       LYS  54  -1.332  10.157  -5.413
  391   2HG   LYS  54          3HG       LYS  54  -0.770  11.588  -4.573
  392   1HD   LYS  54          2HD       LYS  54  -1.594  12.931  -6.641
  393   2HD   LYS  54          3HD       LYS  54  -2.415  11.463  -7.134
  394   1HE   LYS  54          2HE       LYS  54  -3.859  11.477  -5.241
  395   2HE   LYS  54          3HE       LYS  54  -2.805  12.530  -4.320
  396   1HZ   LYS  54          1HZ       LYS  54  -4.923  13.359  -5.680
  397   2HZ   LYS  54          2HZ       LYS  54  -3.663  14.323  -5.291
  398   3HZ   LYS  54          3HZ       LYS  54  -3.751  13.653  -6.778
  399    H    SER  55           HN       SER  55   3.552  11.211  -3.851
  400    HA   SER  55           HA       SER  55   2.913  14.015  -3.401
  401   1HB   SER  55          2HB       SER  55   2.164  12.520  -1.480
  402   2HB   SER  55          3HB       SER  55   3.843  12.089  -1.229
  403    HG   SER  55           HG       SER  55   4.179  13.948  -0.222
  404    H    ASN  56           HN       ASN  56   5.357  11.368  -2.901
  405    HA   ASN  56           HA       ASN  56   7.414  13.380  -3.298
  406   1HB   ASN  56          2HB       ASN  56   7.281  11.603  -1.287
  407   2HB   ASN  56          3HB       ASN  56   7.996  10.523  -2.467
  408   1HD2  ASN  56          1HD       ASN  56   9.799  11.697  -3.811
  409   2HD2  ASN  56          2HD       ASN  56  11.018  12.495  -2.874
  410    H    ASN  57           HN       ASN  57   6.933   9.816  -3.941
  411    HA   ASN  57           HA       ASN  57   8.323  10.200  -6.454
  412   1HB   ASN  57          2HB       ASN  57   7.629   7.736  -4.785
  413   2HB   ASN  57          3HB       ASN  57   8.237   7.588  -6.423
  414   1HD2  ASN  57          1HD       ASN  57   9.093   7.533  -3.290
  415   2HD2  ASN  57          2HD       ASN  57  10.757   8.009  -3.366
  416    H    GLY  58           HN       GLY  58   5.502   8.339  -5.064
  417   1HA   GLY  58          1HA       GLY  58   3.391   8.086  -5.844
  418   2HA   GLY  58          2HA       GLY  58   3.730   9.219  -7.138
  419    HA   PRO  59           HA       PRO  59   5.210   4.979  -8.656
  420   1HB   PRO  59          2HB       PRO  59   4.936   2.775  -7.064
  421   2HB   PRO  59          3HB       PRO  59   6.420   3.700  -7.172
  422   1HG   PRO  59          2HG       PRO  59   4.419   3.653  -4.997
  423   2HG   PRO  59          3HG       PRO  59   6.076   4.220  -4.951
  424   1HD   PRO  59          2HD       PRO  59   3.712   5.839  -5.075
  425   2HD   PRO  59          3HD       PRO  59   5.372   6.400  -5.146
  426    H    THR  60           HN       THR  60   2.932   6.106  -9.238
  427    HA   THR  60           HA       THR  60   1.028   3.857  -9.240
  428    HB   THR  60           HB       THR  60  -0.710   5.589  -9.338
  429    HG1  THR  60           HG1      THR  60  -0.023   7.760  -9.705
  430   1HG2  THR  60          1HG       THR  60  -0.470   5.905  -7.087
  431   2HG2  THR  60          2HG       THR  60   1.272   5.556  -7.195
  432   3HG2  THR  60          3HG       THR  60   0.680   7.216  -7.443
  433    H    LYS  61           HN       LYS  61   2.685   3.168 -11.024
  434    HA   LYS  61           HA       LYS  61   1.346   3.706 -13.488
  435   1HB   LYS  61          2HB       LYS  61   3.261   4.595 -14.707
  436   2HB   LYS  61          3HB       LYS  61   2.780   5.680 -13.420
  437   1HG   LYS  61          2HG       LYS  61   4.578   4.536 -11.959
  438   2HG   LYS  61          3HG       LYS  61   5.146   3.757 -13.422
  439   1HD   LYS  61          2HD       LYS  61   5.770   5.832 -14.433
  440   2HD   LYS  61          3HD       LYS  61   4.783   6.772 -13.332
  441   1HE   LYS  61          2HE       LYS  61   6.443   6.882 -11.770
  442   2HE   LYS  61          3HE       LYS  61   6.769   5.163 -11.876
  443   1HZ   LYS  61          1HZ       LYS  61   7.793   7.262 -13.651
  444   2HZ   LYS  61          2HZ       LYS  61   8.652   6.299 -12.649
  445   3HZ   LYS  61          3HZ       LYS  61   7.947   5.670 -13.980
  446    H    CYS  62           HN       CYS  62   1.522   1.407 -11.924
  447    HA   CYS  62           HA       CYS  62   1.926  -0.739 -12.152
  448   1HB   CYS  62          2HB       CYS  62   2.563   0.257 -14.832
  449   2HB   CYS  62          3HB       CYS  62   3.433  -1.208 -14.420
  450    H    GLY  63           HN       GLY  63   4.865   0.627 -13.808
  451   1HA   GLY  63          1HA       GLY  63   6.761  -0.940 -12.613
  452   2HA   GLY  63          2HA       GLY  63   7.029   0.693 -13.190
  453    H    GLY  64           HN       GLY  64   4.869   1.687 -11.189
  454   1HA   GLY  64          1HA       GLY  64   6.558   2.575  -9.180
  455   2HA   GLY  64          2HA       GLY  64   4.808   2.534  -9.109
  456    H    CYS  65           HN       CYS  65   3.776   0.339  -8.556
  457    HA   CYS  65           HA       CYS  65   5.297  -0.764  -6.354
  458   1HB   CYS  65          2HB       CYS  65   2.554  -1.731  -6.933
  459   2HB   CYS  65          3HB       CYS  65   3.325  -1.362  -5.403
  460    H    HIS  66           HN       HIS  66   3.095  -2.118  -8.928
  461    HA   HIS  66           HA       HIS  66   4.041  -4.680  -8.814
  462   1HB   HIS  66          2HB       HIS  66   2.816  -3.086 -11.070
  463   2HB   HIS  66          3HB       HIS  66   3.197  -4.788 -11.233
  464    HD1  HIS  66           HD1      HIS  66   1.508  -6.444 -10.337
  465    HD2  HIS  66           HD2      HIS  66   0.836  -2.539  -8.960
  466    HE1  HIS  66           HE1      HIS  66  -0.726  -6.495  -9.105
  467    H    ILE  67           HN       ILE  67   5.540  -5.908 -10.130
  468    HA   ILE  67           HA       ILE  67   7.604  -4.220 -11.361
  469    HB   ILE  67           HB       ILE  67   7.947  -6.626  -9.575
  470   1HG1  ILE  67          2HG       ILE  67   7.525  -4.366  -8.523
  471   2HG1  ILE  67          3HG       ILE  67   9.004  -5.177  -8.042
  472   1HG2  ILE  67          1HG       ILE  67   9.828  -5.315 -11.506
  473   2HG2  ILE  67          2HG       ILE  67  10.454  -5.987  -9.981
  474   3HG2  ILE  67          3HG       ILE  67   9.592  -7.039 -11.129
  475   1HD1  ILE  67          1HD       ILE  67   8.740  -2.575  -9.176
  476   2HD1  ILE  67          2HD       ILE  67  10.248  -3.439  -8.784
  477   3HD1  ILE  67          3HD       ILE  67   9.536  -3.583 -10.409
  478    H    LYS  68           HN       LYS  68   8.407  -4.903 -13.345
  479    HA   LYS  68           HA       LYS  68   6.744  -6.610 -14.829
  480   1HB   LYS  68          2HB       LYS  68   8.348  -4.626 -15.511
  481   2HB   LYS  68          3HB       LYS  68   9.525  -5.908 -15.706
  482   1HG   LYS  68          2HG       LYS  68   6.754  -6.002 -16.978
  483   2HG   LYS  68          3HG       LYS  68   8.153  -5.331 -17.795
  484   1HD   LYS  68          2HD       LYS  68   8.849  -7.932 -16.691
  485   2HD   LYS  68          3HD       LYS  68   7.375  -8.081 -17.627
  486   1HE   LYS  68          2HE       LYS  68   8.552  -6.818 -19.519
  487   2HE   LYS  68          3HE       LYS  68  10.033  -6.924 -18.588
  488   1HZ   LYS  68          1HZ       LYS  68   9.673  -9.358 -18.562
  489   2HZ   LYS  68          2HZ       LYS  68   8.440  -9.164 -19.615
  490   3HZ   LYS  68          3HZ       LYS  68   9.958  -8.746 -20.049
  491    HHA  HEC  98           HGM      HEC  98  -3.965  -5.715   8.282
  492    HHB  HEC  98           HDM      HEC  98  -1.231  -3.395  13.393
  493    HHC  HEC  98           HAM      HEC  98   1.733   0.851   9.748
  494    HHD  HEC  98           HBM      HEC  98  -1.436  -1.300   4.835
  495   1HMA  HEC  98          1HM       HEC  98  -1.575  -6.441  13.467
  496   2HMA  HEC  98          2HM       HEC  98  -2.619  -5.120  14.042
  497   3HMA  HEC  98          3HM       HEC  98  -3.346  -6.608  13.391
  498   1HAA  HEC  98          1HA       HEC  98  -3.998  -7.582  11.508
  499   2HAA  HEC  98          2HA       HEC  98  -4.760  -6.837  10.084
  500   1HBA  HEC  98          3HB       HEC  98  -3.719  -8.546   8.911
  501   2HBA  HEC  98          4HB       HEC  98  -2.264  -7.533   9.066
  502   1HMB  HEC  98          1HM       HEC  98   1.075  -1.551  14.860
  503   2HMB  HEC  98          2HM       HEC  98  -0.200  -0.313  14.781
  504   3HMB  HEC  98          3HM       HEC  98  -0.629  -2.038  14.690
  505    HAB  HEC  98           HT2      HEC  98   2.175   1.343  11.674
  506   1HBB  HEC  98          1HT       HEC  98   3.410  -0.591  13.562
  507   2HBB  HEC  98          2HT       HEC  98   3.837  -0.262  11.864
  508   3HBB  HEC  98          3HT       HEC  98   4.059   1.002  13.098
  509   1HMC  HEC  98          1HM       HEC  98   1.500   2.969   7.315
  510   2HMC  HEC  98          2HM       HEC  98   2.487   1.980   8.417
  511   3HMC  HEC  98          3HM       HEC  98   2.762   1.901   6.661
  512    HAC  HEC  98           HT4      HEC  98  -1.054   1.323   4.741
  513   1HBC  HEC  98          1HT       HEC  98   0.416  -0.619   3.840
  514   2HBC  HEC  98          2HT       HEC  98   0.147   0.785   2.780
  515   3HBC  HEC  98          3HT       HEC  98   1.686   0.613   3.655
  516   1HMD  HEC  98          1HM       HEC  98  -2.320  -2.326   3.359
  517   2HMD  HEC  98          2HM       HEC  98  -3.133  -3.898   3.184
  518   3HMD  HEC  98          3HM       HEC  98  -4.078  -2.451   3.608
  519   1HAD  HEC  98          1HA       HEC  98  -4.505  -6.145   6.125
  520   2HAD  HEC  98          2HA       HEC  98  -4.881  -5.154   4.696
  521   1HBD  HEC  98          3HB       HEC  98  -2.672  -5.810   3.747
  522   2HBD  HEC  98          4HB       HEC  98  -2.471  -6.924   5.121
  523    HHA  HEC 128           HGM      HEC 128   8.282   3.947  -1.558
  524    HHB  HEC 128           HDM      HEC 128   4.094  -0.420  -3.092
  525    HHC  HEC 128           HAM      HEC 128   0.062   2.139   1.068
  526    HHD  HEC 128           HBM      HEC 128   4.193   6.681   2.129
  527   1HMA  HEC 128          1HM       HEC 128   7.844  -0.964  -3.541
  528   2HMA  HEC 128          2HM       HEC 128   6.109  -1.349  -3.470
  529   3HMA  HEC 128          3HM       HEC 128   6.739  -0.328  -4.782
  530   1HAA  HEC 128          1HA       HEC 128   9.439   2.453  -2.142
  531   2HAA  HEC 128          2HA       HEC 128   9.495   0.739  -2.620
  532   1HBA  HEC 128          3HB       HEC 128   8.270   1.710  -4.839
  533   2HBA  HEC 128          4HB       HEC 128   9.112   3.199  -4.349
  534   1HMB  HEC 128          1HM       HEC 128   2.288  -1.079  -3.711
  535   2HMB  HEC 128          2HM       HEC 128   1.456  -2.116  -2.529
  536   3HMB  HEC 128          3HM       HEC 128   0.535  -0.909  -3.455
  537    HAB  HEC 128           HT2      HEC 128  -1.027   0.744  -0.047
  538   1HBB  HEC 128          1HT       HEC 128   0.075  -0.845   1.418
  539   2HBB  HEC 128          2HT       HEC 128  -1.593  -1.239   0.939
  540   3HBB  HEC 128          3HT       HEC 128  -0.227  -2.102   0.195
  541   1HMC  HEC 128          1HM       HEC 128  -1.089   5.049   2.734
  542   2HMC  HEC 128          2HM       HEC 128  -1.124   3.425   2.006
  543   3HMC  HEC 128          3HM       HEC 128  -0.486   3.649   3.652
  544    HAC  HEC 128           HT4      HEC 128   2.315   7.181   3.292
  545   1HBC  HEC 128          1HT       HEC 128   0.050   5.684   4.240
  546   2HBC  HEC 128          2HT       HEC 128   0.859   7.078   4.997
  547   3HBC  HEC 128          3HT       HEC 128  -0.486   7.339   3.862
  548   1HMD  HEC 128          1HM       HEC 128   6.257   8.638   1.105
  549   2HMD  HEC 128          2HM       HEC 128   5.853   7.799   2.620
  550   3HMD  HEC 128          3HM       HEC 128   7.548   7.911   2.091
  551   1HAD  HEC 128          1HA       HEC 128   8.994   7.003   1.000
  552   2HAD  HEC 128          2HA       HEC 128   9.459   5.359   0.497
  553   1HBD  HEC 128          3HB       HEC 128   8.602   6.314  -1.858
  554   2HBD  HEC 128          4HB       HEC 128   9.138   7.831  -1.097
  555    HHA  HEC 158           HGM      HEC 158  -3.617  -7.114  -6.635
  556    HHB  HEC 158           HDM      HEC 158  -2.602  -5.840 -12.662
  557    HHC  HEC 158           HAM      HEC 158  -0.611  -0.065 -10.993
  558    HHD  HEC 158           HBM      HEC 158  -1.250  -1.680  -5.011
  559   1HMA  HEC 158          1HM       HEC 158  -3.294  -8.497 -12.198
  560   2HMA  HEC 158          2HM       HEC 158  -4.876  -8.770 -11.432
  561   3HMA  HEC 158          3HM       HEC 158  -4.634  -7.365 -12.497
  562   1HAA  HEC 158          1HA       HEC 158  -4.434  -8.591  -7.539
  563   2HAA  HEC 158          2HA       HEC 158  -5.826  -8.390  -8.630
  564   1HBA  HEC 158          3HB       HEC 158  -3.621  -9.636 -10.093
  565   2HBA  HEC 158          4HB       HEC 158  -3.938 -10.561  -8.606
  566   1HMB  HEC 158          1HM       HEC 158  -2.028  -5.039 -14.402
  567   2HMB  HEC 158          2HM       HEC 158  -1.638  -3.495 -15.196
  568   3HMB  HEC 158          3HM       HEC 158  -0.334  -4.505 -14.527
  569    HAB  HEC 158           HT2      HEC 158   0.268  -0.676 -13.268
  570   1HBB  HEC 158          1HT       HEC 158  -2.374   0.253 -14.164
  571   2HBB  HEC 158          2HT       HEC 158  -1.884   0.387 -12.458
  572   3HBB  HEC 158          3HT       HEC 158  -0.892   1.137 -13.732
  573   1HMC  HEC 158          1HM       HEC 158   1.198   1.575  -9.216
  574   2HMC  HEC 158          2HM       HEC 158  -0.326   1.713 -10.125
  575   3HMC  HEC 158          3HM       HEC 158  -0.184   2.444  -8.509
  576    HAC  HEC 158           HT4      HEC 158  -0.066   0.113  -5.059
  577   1HBC  HEC 158          1HT       HEC 158  -1.265   2.208  -5.852
  578   2HBC  HEC 158          2HT       HEC 158   0.158   2.496  -4.824
  579   3HBC  HEC 158          3HT       HEC 158   0.272   2.725  -6.585
  580   1HMD  HEC 158          1HM       HEC 158  -1.058  -3.865  -2.733
  581   2HMD  HEC 158          2HM       HEC 158  -1.765  -2.298  -3.192
  582   3HMD  HEC 158          3HM       HEC 158  -2.802  -3.577  -2.518
  583   1HAD  HEC 158          1HA       HEC 158  -3.573  -5.510  -2.919
  584   2HAD  HEC 158          2HA       HEC 158  -4.630  -6.131  -4.209
  585   1HBD  HEC 158          3HB       HEC 158  -2.392  -7.540  -4.720
  586   2HBD  HEC 158          4HB       HEC 158  -2.237  -7.323  -2.959
  Start of MODEL   13
    1    H    ALA   1           HN       ALA   1   5.104 -10.467   8.865
    2    HA   ALA   1           HA       ALA   1   3.519  -8.986   8.395
    3   1HB   ALA   1          1HB       ALA   1   2.133  -8.564  10.114
    4   2HB   ALA   1          2HB       ALA   1   3.374  -9.215  11.213
    5   3HB   ALA   1          3HB       ALA   1   3.325  -7.471  10.861
    6    H    ASP   2           HN       ASP   2   6.644  -8.260   9.589
    7    HA   ASP   2           HA       ASP   2   6.675  -5.522   9.502
    8   1HB   ASP   2          2HB       ASP   2   9.045  -5.717   9.419
    9   2HB   ASP   2          3HB       ASP   2   8.517  -7.181  10.227
   10    H    VAL   3           HN       VAL   3   6.051  -7.809   7.015
   11    HA   VAL   3           HA       VAL   3   5.958  -5.794   5.021
   12    HB   VAL   3           HB       VAL   3   8.277  -7.658   5.140
   13   1HG1  VAL   3          1HG       VAL   3   7.052  -8.420   3.141
   14   2HG1  VAL   3          2HG       VAL   3   7.034  -6.752   2.521
   15   3HG1  VAL   3          3HG       VAL   3   8.579  -7.613   2.714
   16   1HG2  VAL   3          1HG       VAL   3   7.750  -4.792   4.767
   17   2HG2  VAL   3          2HG       VAL   3   9.197  -5.623   5.388
   18   3HG2  VAL   3          3HG       VAL   3   8.955  -5.448   3.633
   19    H    VAL   4           HN       VAL   4   4.605  -6.431   3.309
   20    HA   VAL   4           HA       VAL   4   3.717  -9.224   3.401
   21    HB   VAL   4           HB       VAL   4   1.996  -6.739   3.333
   22   1HG1  VAL   4          1HG       VAL   4   1.448  -9.557   2.544
   23   2HG1  VAL   4          2HG       VAL   4   0.207  -8.743   3.527
   24   3HG1  VAL   4          3HG       VAL   4   0.715  -8.039   1.972
   25   1HG2  VAL   4          1HG       VAL   4   2.959  -7.634   5.556
   26   2HG2  VAL   4          2HG       VAL   4   1.205  -7.340   5.457
   27   3HG2  VAL   4          3HG       VAL   4   1.840  -8.998   5.329
   28    H    THR   5           HN       THR   5   5.431  -9.193   1.622
   29    HA   THR   5           HA       THR   5   4.772  -7.758  -0.769
   30    HB   THR   5           HB       THR   5   6.825  -9.839   0.090
   31    HG1  THR   5           HG1      THR   5   6.844  -7.415   0.537
   32   1HG2  THR   5          1HG       THR   5   6.048  -8.968  -2.681
   33   2HG2  THR   5          2HG       THR   5   7.785  -8.924  -2.293
   34   3HG2  THR   5          3HG       THR   5   6.881 -10.451  -2.156
   35    H    TYR   6           HN       TYR   6   2.712  -8.263  -1.474
   36    HA   TYR   6           HA       TYR   6   1.737 -10.896  -1.582
   37   1HB   TYR   6          2HB       TYR   6   1.181  -8.160  -2.821
   38   2HB   TYR   6          3HB       TYR   6   0.288  -9.536  -3.437
   39    HD1  TYR   6           HD1      TYR   6   0.497  -7.062  -0.845
   40    HD2  TYR   6           HD2      TYR   6  -1.090 -10.927  -1.766
   41    HE1  TYR   6           HE1      TYR   6  -1.177  -6.835   1.054
   42    HE2  TYR   6           HE2      TYR   6  -2.760 -10.687   0.136
   43    HH   TYR   6           HH       TYR   6  -2.539  -9.008   2.522
   44    H    GLU   7           HN       GLU   7   2.295 -12.546  -2.904
   45    HA   GLU   7           HA       GLU   7   3.715 -11.829  -5.332
   46   1HB   GLU   7          2HB       GLU   7   3.487 -14.497  -3.870
   47   2HB   GLU   7          3HB       GLU   7   4.416 -14.243  -5.334
   48   1HG   GLU   7          2HG       GLU   7   5.285 -12.176  -3.628
   49   2HG   GLU   7          3HG       GLU   7   5.088 -13.545  -2.551
   50    H    ASN   8           HN       ASN   8   2.525 -11.741  -7.183
   51    HA   ASN   8           HA       ASN   8   0.334 -13.655  -7.380
   52   1HB   ASN   8          2HB       ASN   8  -0.753 -11.857  -8.900
   53   2HB   ASN   8          3HB       ASN   8  -0.736 -11.510  -7.182
   54   1HD2  ASN   8          1HD       ASN   8  -0.112  -9.576  -6.626
   55   2HD2  ASN   8          2HD       ASN   8   0.953  -8.520  -7.493
   56    H    LYS   9           HN       LYS   9  -0.351 -13.372 -10.051
   57    HA   LYS   9           HA       LYS   9   2.158 -14.047 -11.398
   58   1HB   LYS   9          2HB       LYS   9  -0.652 -15.002 -11.587
   59   2HB   LYS   9          3HB       LYS   9   0.234 -14.897 -13.096
   60   1HG   LYS   9          2HG       LYS   9   1.027 -16.965 -12.514
   61   2HG   LYS   9          3HG       LYS   9   2.144 -16.065 -11.508
   62   1HD   LYS   9          2HD       LYS   9   0.769 -16.357  -9.540
   63   2HD   LYS   9          3HD       LYS   9  -0.596 -16.917 -10.486
   64   1HE   LYS   9          2HE       LYS   9   0.871 -18.900 -11.224
   65   2HE   LYS   9          3HE       LYS   9   2.043 -18.380 -10.031
   66   1HZ   LYS   9          1HZ       LYS   9   0.754 -19.095  -8.378
   67   2HZ   LYS   9          2HZ       LYS   9  -0.643 -18.592  -9.056
   68   3HZ   LYS   9          3HZ       LYS   9   0.023 -20.010  -9.516
   69    H    LYS  10           HN       LYS  10   1.622 -11.297 -10.863
   70    HA   LYS  10           HA       LYS  10   1.187 -10.388 -13.616
   71   1HB   LYS  10          2HB       LYS  10  -0.614  -9.938 -11.567
   72   2HB   LYS  10          3HB       LYS  10   0.356  -8.479 -11.545
   73   1HG   LYS  10          2HG       LYS  10  -1.349  -7.997 -13.126
   74   2HG   LYS  10          3HG       LYS  10   0.036  -8.408 -14.120
   75   1HD   LYS  10          2HD       LYS  10  -1.454 -10.826 -13.438
   76   2HD   LYS  10          3HD       LYS  10  -2.534  -9.638 -14.142
   77   1HE   LYS  10          2HE       LYS  10   0.138 -10.097 -15.475
   78   2HE   LYS  10          3HE       LYS  10  -1.108 -11.312 -15.682
   79   1HZ   LYS  10          1HZ       LYS  10  -0.964  -9.272 -17.244
   80   2HZ   LYS  10          2HZ       LYS  10  -2.421  -9.869 -16.809
   81   3HZ   LYS  10          3HZ       LYS  10  -1.835  -8.531 -16.079
   82    H    GLY  11           HN       GLY  11   2.238  -9.156 -10.357
   83   1HA   GLY  11          1HA       GLY  11   4.878  -8.588 -11.453
   84   2HA   GLY  11          2HA       GLY  11   3.921  -7.199 -10.975
   85    H    ASN  12           HN       ASN  12   2.517  -8.232  -8.722
   86    HA   ASN  12           HA       ASN  12   2.732  -8.927  -6.642
   87   1HB   ASN  12          2HB       ASN  12   5.750  -9.256  -6.895
   88   2HB   ASN  12          3HB       ASN  12   4.667 -10.073  -5.787
   89   1HD2  ASN  12          1HD       ASN  12   6.291 -11.665  -7.031
   90   2HD2  ASN  12          2HD       ASN  12   5.552 -12.560  -8.317
   91    H    VAL  13           HN       VAL  13   2.600  -7.256  -5.135
   92    HA   VAL  13           HA       VAL  13   4.385  -4.989  -5.477
   93    HB   VAL  13           HB       VAL  13   2.834  -3.796  -4.135
   94   1HG1  VAL  13          1HG       VAL  13   1.838  -3.743  -6.180
   95   2HG1  VAL  13          2HG       VAL  13   1.774  -5.516  -6.320
   96   3HG1  VAL  13          3HG       VAL  13   0.575  -4.658  -5.323
   97   1HG2  VAL  13          1HG       VAL  13   1.265  -6.327  -3.598
   98   2HG2  VAL  13          2HG       VAL  13   2.513  -5.716  -2.486
   99   3HG2  VAL  13          3HG       VAL  13   1.079  -4.725  -2.846
  100    H    THR  14           HN       THR  14   5.947  -4.370  -4.003
  101    HA   THR  14           HA       THR  14   6.546  -6.353  -1.947
  102    HB   THR  14           HB       THR  14   8.079  -4.067  -3.278
  103    HG1  THR  14           HG1      THR  14   8.215  -6.992  -3.061
  104   1HG2  THR  14          1HG       THR  14   9.874  -5.746  -1.899
  105   2HG2  THR  14          2HG       THR  14   9.461  -4.074  -1.448
  106   3HG2  THR  14          3HG       THR  14   8.583  -5.438  -0.713
  107    H    PHE  15           HN       PHE  15   4.257  -5.157  -1.204
  108    HA   PHE  15           HA       PHE  15   4.214  -2.773   0.012
  109   1HB   PHE  15          2HB       PHE  15   2.470  -4.689  -0.100
  110   2HB   PHE  15          3HB       PHE  15   3.307  -5.443   1.242
  111    HD1  PHE  15           HD1      PHE  15   2.721  -4.901   3.431
  112    HD2  PHE  15           HD2      PHE  15   1.573  -2.291   0.288
  113    HE1  PHE  15           HE1      PHE  15   1.335  -3.567   5.044
  114    HE2  PHE  15           HE2      PHE  15   0.188  -0.957   1.901
  115    HZ   PHE  15           HZ       PHE  15   0.086  -1.611   4.260
  116    H    ASP  16           HN       ASP  16   4.270  -2.266   2.458
  117    HA   ASP  16           HA       ASP  16   6.305  -3.760   3.837
  118   1HB   ASP  16          2HB       ASP  16   6.622  -0.965   2.789
  119   2HB   ASP  16          3HB       ASP  16   7.191  -1.243   4.423
  120    H    HIS  17           HN       HIS  17   5.747  -3.824   6.042
  121    HA   HIS  17           HA       HIS  17   3.585  -2.035   6.848
  122   1HB   HIS  17          2HB       HIS  17   3.875  -4.791   7.048
  123   2HB   HIS  17          3HB       HIS  17   4.253  -4.231   8.664
  124    HD1  HIS  17           HD1      HIS  17   1.444  -5.127   6.571
  125    HD2  HIS  17           HD2      HIS  17   2.080  -2.402   9.696
  126    HE1  HIS  17           HE1      HIS  17  -0.865  -4.515   7.468
  127    H    LYS  18           HN       LYS  18   6.792  -3.359   7.860
  128    HA   LYS  18           HA       LYS  18   6.880  -1.485  10.061
  129   1HB   LYS  18          2HB       LYS  18   7.986  -4.025   9.523
  130   2HB   LYS  18          3HB       LYS  18   9.345  -2.921   9.569
  131   1HG   LYS  18          2HG       LYS  18   7.304  -2.504  11.712
  132   2HG   LYS  18          3HG       LYS  18   8.177  -4.021  11.803
  133   1HD   LYS  18          2HD       LYS  18   9.778  -2.806  12.892
  134   2HD   LYS  18          3HD       LYS  18  10.249  -2.276  11.290
  135   1HE   LYS  18          2HE       LYS  18   9.910  -0.177  12.163
  136   2HE   LYS  18          3HE       LYS  18   8.233  -0.494  11.767
  137   1HZ   LYS  18          1HZ       LYS  18   9.462  -0.315  14.314
  138   2HZ   LYS  18          2HZ       LYS  18   7.883  -0.193  13.915
  139   3HZ   LYS  18          3HZ       LYS  18   8.548  -1.661  14.174
  140    H    ALA  19           HN       ALA  19   8.122  -1.905   6.754
  141    HA   ALA  19           HA       ALA  19  10.122   0.089   6.963
  142   1HB   ALA  19          1HB       ALA  19  10.630  -0.665   4.898
  143   2HB   ALA  19          2HB       ALA  19   9.346  -1.874   5.138
  144   3HB   ALA  19          3HB       ALA  19   8.986  -0.349   4.294
  145    H    HIS  20           HN       HIS  20   6.626   0.045   6.250
  146    HA   HIS  20           HA       HIS  20   6.688   2.798   5.406
  147   1HB   HIS  20          2HB       HIS  20   4.590   0.658   5.610
  148   2HB   HIS  20          3HB       HIS  20   4.103   2.336   5.477
  149    HD1  HIS  20           HD1      HIS  20   7.154   1.051   3.642
  150    HD2  HIS  20           HD2      HIS  20   3.156   2.046   2.850
  151    HE1  HIS  20           HE1      HIS  20   6.913   1.080   1.102
  152    H    ALA  21           HN       ALA  21   5.135   0.878   8.077
  153    HA   ALA  21           HA       ALA  21   4.024   2.827   9.532
  154   1HB   ALA  21          1HB       ALA  21   3.976   0.455  10.129
  155   2HB   ALA  21          2HB       ALA  21   5.708   0.498  10.537
  156   3HB   ALA  21          3HB       ALA  21   4.539   1.414  11.519
  157    H    GLU  22           HN       GLU  22   7.489   1.785   9.939
  158    HA   GLU  22           HA       GLU  22   8.365   3.441  11.747
  159   1HB   GLU  22          2HB       GLU  22  10.529   3.627  10.408
  160   2HB   GLU  22          3HB       GLU  22   9.920   1.999  10.636
  161   1HG   GLU  22          2HG       GLU  22   8.779   2.198   8.355
  162   2HG   GLU  22          3HG       GLU  22   9.613   3.724   8.136
  163    H    LYS  23           HN       LYS  23   7.476   4.417   8.407
  164    HA   LYS  23           HA       LYS  23   8.144   7.179   9.062
  165   1HB   LYS  23          2HB       LYS  23   7.881   5.588   6.573
  166   2HB   LYS  23          3HB       LYS  23   7.300   7.238   6.479
  167   1HG   LYS  23          2HG       LYS  23   9.880   7.025   7.908
  168   2HG   LYS  23          3HG       LYS  23   9.971   6.423   6.265
  169   1HD   LYS  23          2HD       LYS  23  10.101   8.564   5.535
  170   2HD   LYS  23          3HD       LYS  23   8.453   8.813   6.078
  171   1HE   LYS  23          2HE       LYS  23  10.708   8.982   8.094
  172   2HE   LYS  23          3HE       LYS  23  10.421  10.337   7.019
  173   1HZ   LYS  23          1HZ       LYS  23   7.959   9.696   7.899
  174   2HZ   LYS  23          2HZ       LYS  23   8.877   9.448   9.226
  175   3HZ   LYS  23          3HZ       LYS  23   8.887  10.904   8.487
  176    H    LEU  24           HN       LEU  24   5.408   5.395   7.458
  177    HA   LEU  24           HA       LEU  24   3.538   7.349   7.619
  178   1HB   LEU  24          2HB       LEU  24   3.320   4.355   7.835
  179   2HB   LEU  24          3HB       LEU  24   1.902   5.386   7.833
  180    HG   LEU  24           HG       LEU  24   2.642   6.308   5.620
  181   1HD1  LEU  24          1HD       LEU  24   4.984   5.905   5.637
  182   2HD1  LEU  24          2HD       LEU  24   4.754   4.158   5.886
  183   3HD1  LEU  24          3HD       LEU  24   4.293   4.905   4.337
  184   1HD2  LEU  24          1HD       LEU  24   2.397   3.362   5.235
  185   2HD2  LEU  24          2HD       LEU  24   1.105   4.198   6.131
  186   3HD2  LEU  24          3HD       LEU  24   1.508   4.702   4.471
  187    H    GLY  25           HN       GLY  25   3.363   4.616   9.978
  188   1HA   GLY  25          1HA       GLY  25   3.710   5.159  12.350
  189   2HA   GLY  25          2HA       GLY  25   2.801   6.632  12.072
  190    H    CYS  26           HN       CYS  26   1.690   3.912  10.203
  191    HA   CYS  26           HA       CYS  26   0.018   2.485  10.428
  192   1HB   CYS  26          2HB       CYS  26  -0.676   3.192  13.234
  193   2HB   CYS  26          3HB       CYS  26  -0.674   1.635  12.430
  194    H    ASP  27           HN       ASP  27  -0.729   5.307  12.615
  195    HA   ASP  27           HA       ASP  27  -3.315   5.601  12.093
  196   1HB   ASP  27          2HB       ASP  27  -1.991   7.040  13.629
  197   2HB   ASP  27          3HB       ASP  27  -1.230   7.827  12.261
  198    H    ALA  28           HN       ALA  28  -0.583   6.168   9.923
  199    HA   ALA  28           HA       ALA  28  -1.723   7.955   8.123
  200   1HB   ALA  28          1HB       ALA  28   0.085   5.785   7.135
  201   2HB   ALA  28          2HB       ALA  28   0.171   7.546   6.888
  202   3HB   ALA  28          3HB       ALA  28   0.702   6.836   8.432
  203    H    CYS  29           HN       CYS  29  -1.860   4.356   8.356
  204    HA   CYS  29           HA       CYS  29  -3.748   4.386   6.130
  205   1HB   CYS  29          2HB       CYS  29  -2.424   1.993   7.417
  206   2HB   CYS  29          3HB       CYS  29  -3.368   2.016   5.941
  207    H    HIS  30           HN       HIS  30  -3.206   3.103   9.487
  208    HA   HIS  30           HA       HIS  30  -6.082   2.673   9.689
  209   1HB   HIS  30          2HB       HIS  30  -3.989   1.811  11.687
  210   2HB   HIS  30          3HB       HIS  30  -5.625   1.211  11.500
  211    HD1  HIS  30           HD1      HIS  30  -6.069  -0.126   9.119
  212    HD2  HIS  30           HD2      HIS  30  -2.091   0.336  10.365
  213    HE1  HIS  30           HE1      HIS  30  -4.709  -1.851   7.821
  214    H    GLU  31           HN       GLU  31  -5.828   2.807  12.710
  215    HA   GLU  31           HA       GLU  31  -5.122   5.524  13.197
  216   1HB   GLU  31          2HB       GLU  31  -7.338   6.300  13.873
  217   2HB   GLU  31          3HB       GLU  31  -7.402   5.760  12.206
  218   1HG   GLU  31          2HG       GLU  31  -7.964   3.427  13.684
  219   2HG   GLU  31          3HG       GLU  31  -8.799   4.690  14.567
  220    H    GLY  32           HN       GLY  32  -7.249   5.358  15.518
  221   1HA   GLY  32          1HA       GLY  32  -5.553   4.533  17.540
  222   2HA   GLY  32          2HA       GLY  32  -7.296   4.673  17.656
  223    H    THR  33           HN       THR  33  -7.723   2.646  15.429
  224    HA   THR  33           HA       THR  33  -6.663   0.215  16.640
  225    HB   THR  33           HB       THR  33  -9.612   1.000  16.477
  226    HG1  THR  33           HG1      THR  33  -8.297   1.499  18.404
  227   1HG2  THR  33          1HG       THR  33  -9.630  -1.300  15.744
  228   2HG2  THR  33          2HG       THR  33  -8.281  -1.727  16.826
  229   3HG2  THR  33          3HG       THR  33  -9.889  -1.372  17.504
  230    HA   PRO  34           HA       PRO  34  -6.461  -0.321  12.302
  231   1HB   PRO  34          2HB       PRO  34  -4.480  -2.205  12.325
  232   2HB   PRO  34          3HB       PRO  34  -4.163  -0.482  12.284
  233   1HG   PRO  34          2HG       PRO  34  -3.899  -2.362  14.550
  234   2HG   PRO  34          3HG       PRO  34  -3.202  -0.765  14.362
  235   1HD   PRO  34          2HD       PRO  34  -5.465  -1.469  15.977
  236   2HD   PRO  34          3HD       PRO  34  -4.839   0.143  15.696
  237    H    ALA  35           HN       ALA  35  -6.136  -2.569  10.920
  238    HA   ALA  35           HA       ALA  35  -7.142  -4.888  11.852
  239   1HB   ALA  35          1HB       ALA  35  -9.252  -2.808  11.654
  240   2HB   ALA  35          2HB       ALA  35  -9.646  -4.364  10.886
  241   3HB   ALA  35          3HB       ALA  35  -9.210  -4.308  12.610
  242    H    LYS  36           HN       LYS  36  -8.140  -6.257  10.017
  243    HA   LYS  36           HA       LYS  36  -6.585  -5.835   7.713
  244   1HB   LYS  36          2HB       LYS  36  -7.362  -7.905   7.019
  245   2HB   LYS  36          3HB       LYS  36  -7.466  -8.026   8.764
  246   1HG   LYS  36          2HG       LYS  36  -9.589  -8.791   8.193
  247   2HG   LYS  36          3HG       LYS  36  -9.933  -7.083   8.387
  248   1HD   LYS  36          2HD       LYS  36 -10.883  -7.407   6.294
  249   2HD   LYS  36          3HD       LYS  36  -9.257  -6.986   5.794
  250   1HE   LYS  36          2HE       LYS  36  -9.645  -8.955   4.565
  251   2HE   LYS  36          3HE       LYS  36  -8.772  -9.569   5.955
  252   1HZ   LYS  36          1HZ       LYS  36 -10.774 -10.264   6.930
  253   2HZ   LYS  36          2HZ       LYS  36 -11.703  -9.454   5.858
  254   3HZ   LYS  36          3HZ       LYS  36 -10.851 -10.761   5.376
  255    H    ILE  37           HN       ILE  37  -6.908  -4.233   6.267
  256    HA   ILE  37           HA       ILE  37  -9.557  -3.147   5.946
  257    HB   ILE  37           HB       ILE  37  -6.900  -2.455   4.690
  258   1HG1  ILE  37          2HG       ILE  37  -8.424  -0.933   6.813
  259   2HG1  ILE  37          3HG       ILE  37  -7.209  -2.134   7.201
  260   1HG2  ILE  37          1HG       ILE  37  -9.655  -1.448   4.217
  261   2HG2  ILE  37          2HG       ILE  37  -8.360  -0.234   4.347
  262   3HG2  ILE  37          3HG       ILE  37  -8.251  -1.527   3.127
  263   1HD1  ILE  37          1HD       ILE  37  -6.564   0.085   5.238
  264   2HD1  ILE  37          2HD       ILE  37  -6.479   0.376   6.991
  265   3HD1  ILE  37          3HD       ILE  37  -5.452  -0.873   6.246
  266    H    ALA  38           HN       ALA  38  -7.790  -5.778   4.691
  267    HA   ALA  38           HA       ALA  38  -8.108  -7.146   2.982
  268   1HB   ALA  38          1HB       ALA  38 -10.640  -6.425   1.924
  269   2HB   ALA  38          2HB       ALA  38 -10.276  -7.725   3.087
  270   3HB   ALA  38          3HB       ALA  38 -10.719  -6.104   3.673
  271    H    ILE  39           HN       ILE  39  -6.426  -6.303   1.681
  272    HA   ILE  39           HA       ILE  39  -7.213  -4.228  -0.219
  273    HB   ILE  39           HB       ILE  39  -4.639  -5.203   0.921
  274   1HG1  ILE  39          2HG       ILE  39  -5.897  -3.212   1.796
  275   2HG1  ILE  39          3HG       ILE  39  -4.237  -2.900   1.328
  276   1HG2  ILE  39          1HG       ILE  39  -4.173  -5.484  -1.407
  277   2HG2  ILE  39          2HG       ILE  39  -4.922  -3.918  -1.805
  278   3HG2  ILE  39          3HG       ILE  39  -3.406  -3.969  -0.872
  279   1HD1  ILE  39          1HD       ILE  39  -5.678  -1.107   0.474
  280   2HD1  ILE  39          2HD       ILE  39  -5.043  -2.050  -0.896
  281   3HD1  ILE  39          3HD       ILE  39  -6.718  -2.295  -0.346
  282    H    ASP  40           HN       ASP  40  -7.730  -4.720  -2.285
  283    HA   ASP  40           HA       ASP  40  -6.539  -6.308  -3.980
  284   1HB   ASP  40          2HB       ASP  40  -8.022  -7.978  -2.014
  285   2HB   ASP  40          3HB       ASP  40  -8.389  -8.362  -3.684
  286    H    LYS  41           HN       LYS  41  -7.929  -6.746  -5.940
  287    HA   LYS  41           HA       LYS  41  -9.738  -6.536  -7.230
  288   1HB   LYS  41          2HB       LYS  41 -11.359  -5.495  -4.902
  289   2HB   LYS  41          3HB       LYS  41 -11.936  -6.229  -6.385
  290   1HG   LYS  41          2HG       LYS  41 -10.576  -8.338  -5.652
  291   2HG   LYS  41          3HG       LYS  41 -10.487  -7.578  -4.075
  292   1HD   LYS  41          2HD       LYS  41 -12.852  -7.652  -3.762
  293   2HD   LYS  41          3HD       LYS  41 -13.166  -7.871  -5.472
  294   1HE   LYS  41          2HE       LYS  41 -11.475 -10.045  -4.568
  295   2HE   LYS  41          3HE       LYS  41 -12.826  -9.899  -3.462
  296   1HZ   LYS  41          1HZ       LYS  41 -13.586 -11.235  -5.165
  297   2HZ   LYS  41          2HZ       LYS  41 -14.220  -9.780  -5.550
  298   3HZ   LYS  41          3HZ       LYS  41 -12.911 -10.337  -6.350
  299    H    LYS  42           HN       LYS  42 -11.714  -4.263  -6.891
  300    HA   LYS  42           HA       LYS  42  -9.963  -2.249  -7.981
  301   1HB   LYS  42          2HB       LYS  42 -12.104  -1.081  -8.477
  302   2HB   LYS  42          3HB       LYS  42 -11.992  -2.687  -9.170
  303   1HG   LYS  42          2HG       LYS  42 -13.166  -2.631  -6.437
  304   2HG   LYS  42          3HG       LYS  42 -14.108  -1.761  -7.632
  305   1HD   LYS  42          2HD       LYS  42 -14.592  -3.676  -8.864
  306   2HD   LYS  42          3HD       LYS  42 -13.081  -4.461  -8.451
  307   1HE   LYS  42          2HE       LYS  42 -14.709  -5.701  -7.241
  308   2HE   LYS  42          3HE       LYS  42 -14.013  -4.641  -6.031
  309   1HZ   LYS  42          1HZ       LYS  42 -15.946  -3.634  -5.781
  310   2HZ   LYS  42          2HZ       LYS  42 -16.172  -3.412  -7.384
  311   3HZ   LYS  42          3HZ       LYS  42 -16.632  -4.813  -6.680
  312    H    SER  43           HN       SER  43  -9.106  -2.596  -5.447
  313    HA   SER  43           HA       SER  43 -10.222  -0.248  -4.131
  314   1HB   SER  43          2HB       SER  43  -9.259  -2.813  -2.788
  315   2HB   SER  43          3HB       SER  43  -9.729  -1.356  -1.933
  316    HG   SER  43           HG       SER  43 -11.366  -3.172  -3.443
  317    H    ALA  44           HN       ALA  44  -7.421  -2.580  -4.008
  318    HA   ALA  44           HA       ALA  44  -5.595  -0.790  -2.946
  319   1HB   ALA  44          1HB       ALA  44  -4.486  -2.744  -4.850
  320   2HB   ALA  44          2HB       ALA  44  -4.228  -2.585  -3.096
  321   3HB   ALA  44          3HB       ALA  44  -5.655  -3.454  -3.710
  322    H    HIS  45           HN       HIS  45  -7.102  -0.882  -6.070
  323    HA   HIS  45           HA       HIS  45  -4.938   0.666  -7.248
  324   1HB   HIS  45          2HB       HIS  45  -7.348  -0.764  -8.353
  325   2HB   HIS  45          3HB       HIS  45  -6.518   0.450  -9.303
  326    HD1  HIS  45           HD1      HIS  45  -5.951  -1.590 -10.960
  327    HD2  HIS  45           HD2      HIS  45  -4.102  -1.716  -7.196
  328    HE1  HIS  45           HE1      HIS  45  -4.052  -3.283 -11.153
  329    H    LYS  46           HN       LYS  46  -7.511   1.219  -5.242
  330    HA   LYS  46           HA       LYS  46  -8.188   3.748  -6.571
  331   1HB   LYS  46          2HB       LYS  46  -9.813   1.717  -5.401
  332   2HB   LYS  46          3HB       LYS  46  -9.943   3.140  -4.387
  333   1HG   LYS  46          2HG       LYS  46 -10.573   4.533  -6.302
  334   2HG   LYS  46          3HG       LYS  46 -10.234   3.230  -7.424
  335   1HD   LYS  46          2HD       LYS  46 -12.093   1.904  -6.583
  336   2HD   LYS  46          3HD       LYS  46 -12.324   2.978  -5.217
  337   1HE   LYS  46          2HE       LYS  46 -13.258   4.701  -6.552
  338   2HE   LYS  46          3HE       LYS  46 -12.520   4.102  -8.024
  339   1HZ   LYS  46          1HZ       LYS  46 -14.034   2.046  -7.343
  340   2HZ   LYS  46          2HZ       LYS  46 -14.943   3.261  -6.740
  341   3HZ   LYS  46          3HZ       LYS  46 -14.544   3.250  -8.323
  342    H    ASP  47           HN       ASP  47  -9.220   5.037  -4.229
  343    HA   ASP  47           HA       ASP  47  -7.096   6.373  -3.350
  344   1HB   ASP  47          2HB       ASP  47  -8.471   6.873  -1.267
  345   2HB   ASP  47          3HB       ASP  47  -9.311   7.124  -2.783
  346    H    ALA  48           HN       ALA  48  -8.121   3.114  -2.479
  347    HA   ALA  48           HA       ALA  48  -7.230   2.661   0.006
  348   1HB   ALA  48          1HB       ALA  48  -6.463   0.824  -2.277
  349   2HB   ALA  48          2HB       ALA  48  -7.002   0.398  -0.635
  350   3HB   ALA  48          3HB       ALA  48  -8.163   1.064  -1.808
  351    H    CYS  49           HN       CYS  49  -5.135   2.662  -2.965
  352    HA   CYS  49           HA       CYS  49  -2.902   3.260  -1.165
  353   1HB   CYS  49          2HB       CYS  49  -2.816   1.521  -3.639
  354   2HB   CYS  49          3HB       CYS  49  -1.430   2.003  -2.682
  355    H    LYS  50           HN       LYS  50  -4.104   3.307  -4.601
  356    HA   LYS  50           HA       LYS  50  -2.482   4.965  -5.835
  357   1HB   LYS  50          2HB       LYS  50  -5.425   4.605  -5.888
  358   2HB   LYS  50          3HB       LYS  50  -4.827   6.060  -6.659
  359   1HG   LYS  50          2HG       LYS  50  -3.037   4.041  -7.505
  360   2HG   LYS  50          3HG       LYS  50  -4.608   3.266  -7.543
  361   1HD   LYS  50          2HD       LYS  50  -5.225   5.701  -8.680
  362   2HD   LYS  50          3HD       LYS  50  -3.563   5.516  -9.204
  363   1HE   LYS  50          2HE       LYS  50  -4.280   3.080  -9.897
  364   2HE   LYS  50          3HE       LYS  50  -5.921   3.681  -9.760
  365   1HZ   LYS  50          1HZ       LYS  50  -5.319   5.437 -11.311
  366   2HZ   LYS  50          2HZ       LYS  50  -3.817   4.818 -11.467
  367   3HZ   LYS  50          3HZ       LYS  50  -5.110   3.959 -11.973
  368    H    THR  51           HN       THR  51  -5.322   6.414  -4.093
  369    HA   THR  51           HA       THR  51  -4.637   8.988  -4.103
  370    HB   THR  51           HB       THR  51  -5.893   7.184  -2.013
  371    HG1  THR  51           HG1      THR  51  -6.751   8.141  -4.184
  372   1HG2  THR  51          1HG       THR  51  -6.559   9.150  -0.707
  373   2HG2  THR  51          2HG       THR  51  -4.780   9.123  -0.778
  374   3HG2  THR  51          3HG       THR  51  -5.696  10.234  -1.826
  375    H    CYS  52           HN       CYS  52  -3.646   6.983  -1.248
  376    HA   CYS  52           HA       CYS  52  -1.649   8.900  -0.613
  377   1HB   CYS  52          2HB       CYS  52  -2.524   7.913   1.267
  378   2HB   CYS  52          3HB       CYS  52  -2.603   6.318   0.545
  379    H    HIS  53           HN       HIS  53  -0.405   8.906  -2.648
  380    HA   HIS  53           HA       HIS  53   1.902   7.549  -2.611
  381   1HB   HIS  53          2HB       HIS  53  -0.210   5.759  -3.438
  382   2HB   HIS  53          3HB       HIS  53   0.929   5.979  -4.751
  383    HD1  HIS  53           HD1      HIS  53   3.528   5.437  -4.144
  384    HD2  HIS  53           HD2      HIS  53   0.641   4.072  -1.426
  385    HE1  HIS  53           HE1      HIS  53   4.681   3.675  -2.703
  386    H    LYS  54           HN       LYS  54  -0.793   8.864  -4.512
  387    HA   LYS  54           HA       LYS  54   0.621   9.405  -6.858
  388   1HB   LYS  54          2HB       LYS  54  -1.866  10.527  -5.581
  389   2HB   LYS  54          3HB       LYS  54  -1.226  11.227  -7.054
  390   1HG   LYS  54          2HG       LYS  54  -1.127   8.622  -7.791
  391   2HG   LYS  54          3HG       LYS  54  -2.412   8.498  -6.605
  392   1HD   LYS  54          2HD       LYS  54  -3.783  10.115  -7.776
  393   2HD   LYS  54          3HD       LYS  54  -2.452  10.605  -8.806
  394   1HE   LYS  54          2HE       LYS  54  -2.529   7.908  -9.355
  395   2HE   LYS  54          3HE       LYS  54  -4.222   8.205  -9.005
  396   1HZ   LYS  54          1HZ       LYS  54  -3.244  10.265 -10.612
  397   2HZ   LYS  54          2HZ       LYS  54  -2.851   8.840 -11.305
  398   3HZ   LYS  54          3HZ       LYS  54  -4.410   9.175 -10.955
  399    H    SER  55           HN       SER  55   0.139  11.299  -3.822
  400    HA   SER  55           HA       SER  55   1.876  13.335  -4.892
  401   1HB   SER  55          2HB       SER  55   1.280  14.603  -2.863
  402   2HB   SER  55          3HB       SER  55  -0.161  14.023  -3.675
  403    HG   SER  55           HG       SER  55   0.813  12.198  -1.798
  404    H    ASN  56           HN       ASN  56   3.208  10.885  -4.641
  405    HA   ASN  56           HA       ASN  56   4.907  11.452  -2.345
  406   1HB   ASN  56          2HB       ASN  56   3.356   9.091  -2.783
  407   2HB   ASN  56          3HB       ASN  56   5.007   8.636  -3.152
  408   1HD2  ASN  56          1HD       ASN  56   2.951   8.320  -0.846
  409   2HD2  ASN  56          2HD       ASN  56   3.884   8.576   0.592
  410    H    ASN  57           HN       ASN  57   6.983   9.647  -2.874
  411    HA   ASN  57           HA       ASN  57   7.699  10.286  -5.628
  412   1HB   ASN  57          2HB       ASN  57  10.099  10.411  -4.774
  413   2HB   ASN  57          3HB       ASN  57   9.061  11.685  -4.164
  414   1HD2  ASN  57          1HD       ASN  57   8.656  11.872  -2.045
  415   2HD2  ASN  57          2HD       ASN  57   9.291  10.844  -0.805
  416    H    GLY  58           HN       GLY  58   8.119   8.411  -6.811
  417   1HA   GLY  58          1HA       GLY  58   9.648   6.399  -6.675
  418   2HA   GLY  58          2HA       GLY  58   8.679   5.942  -5.288
  419    HA   PRO  59           HA       PRO  59   6.313   3.953  -8.422
  420   1HB   PRO  59          2HB       PRO  59   4.925   2.279  -6.768
  421   2HB   PRO  59          3HB       PRO  59   6.502   1.887  -7.424
  422   1HG   PRO  59          2HG       PRO  59   5.793   2.728  -4.680
  423   2HG   PRO  59          3HG       PRO  59   7.252   1.936  -5.244
  424   1HD   PRO  59          2HD       PRO  59   6.954   4.709  -4.571
  425   2HD   PRO  59          3HD       PRO  59   8.378   3.941  -5.244
  426    H    THR  60           HN       THR  60   4.326   4.203  -9.398
  427    HA   THR  60           HA       THR  60   1.993   4.783  -8.134
  428    HB   THR  60           HB       THR  60   2.768   6.742  -7.047
  429    HG1  THR  60           HG1      THR  60   1.539   8.261  -8.214
  430   1HG2  THR  60          1HG       THR  60   4.315   7.277  -9.632
  431   2HG2  THR  60          2HG       THR  60   4.067   8.521  -8.383
  432   3HG2  THR  60          3HG       THR  60   4.987   7.046  -8.000
  433    H    LYS  61           HN       LYS  61   4.207   5.405 -10.836
  434    HA   LYS  61           HA       LYS  61   2.043   5.951 -12.643
  435   1HB   LYS  61          2HB       LYS  61   3.727   6.255 -14.284
  436   2HB   LYS  61          3HB       LYS  61   4.335   6.967 -12.804
  437   1HG   LYS  61          2HG       LYS  61   5.387   4.541 -12.425
  438   2HG   LYS  61          3HG       LYS  61   5.185   4.401 -14.160
  439   1HD   LYS  61          2HD       LYS  61   6.423   6.646 -14.376
  440   2HD   LYS  61          3HD       LYS  61   6.788   6.525 -12.666
  441   1HE   LYS  61          2HE       LYS  61   7.795   4.200 -13.174
  442   2HE   LYS  61          3HE       LYS  61   7.647   4.603 -14.873
  443   1HZ   LYS  61          1HZ       LYS  61   9.201   6.241 -14.686
  444   2HZ   LYS  61          2HZ       LYS  61   8.963   6.488 -13.089
  445   3HZ   LYS  61          3HZ       LYS  61   9.785   5.171 -13.597
  446    H    CYS  62           HN       CYS  62   1.230   3.702 -11.459
  447    HA   CYS  62           HA       CYS  62   0.517   1.668 -11.871
  448   1HB   CYS  62          2HB       CYS  62   0.011   2.494 -14.118
  449   2HB   CYS  62          3HB       CYS  62   1.626   2.077 -14.656
  450    H    GLY  63           HN       GLY  63   3.462   1.663 -14.005
  451   1HA   GLY  63          1HA       GLY  63   4.438  -0.773 -12.953
  452   2HA   GLY  63          2HA       GLY  63   5.291   0.352 -13.992
  453    H    GLY  64           HN       GLY  64   4.026   0.308 -10.574
  454   1HA   GLY  64          1HA       GLY  64   6.693   1.249  -9.709
  455   2HA   GLY  64          2HA       GLY  64   5.211   1.965  -9.108
  456    H    CYS  65           HN       CYS  65   3.497  -0.098  -8.592
  457    HA   CYS  65           HA       CYS  65   4.788  -1.325  -6.349
  458   1HB   CYS  65          2HB       CYS  65   1.978  -1.938  -7.189
  459   2HB   CYS  65          3HB       CYS  65   2.670  -1.868  -5.581
  460    H    HIS  66           HN       HIS  66   3.344  -2.247  -9.526
  461    HA   HIS  66           HA       HIS  66   4.144  -5.001  -9.054
  462   1HB   HIS  66          2HB       HIS  66   2.373  -3.665 -11.103
  463   2HB   HIS  66          3HB       HIS  66   2.912  -5.323 -11.284
  464    HD1  HIS  66           HD1      HIS  66   1.652  -7.114 -10.000
  465    HD2  HIS  66           HD2      HIS  66   0.702  -3.229  -8.738
  466    HE1  HIS  66           HE1      HIS  66  -0.319  -7.345  -8.397
  467    H    ILE  67           HN       ILE  67   6.388  -5.021  -9.281
  468    HA   ILE  67           HA       ILE  67   7.702  -3.570 -11.314
  469    HB   ILE  67           HB       ILE  67   8.612  -4.375  -9.096
  470   1HG1  ILE  67          2HG       ILE  67  10.511  -5.198 -11.248
  471   2HG1  ILE  67          3HG       ILE  67   9.856  -3.575 -11.323
  472   1HG2  ILE  67          1HG       ILE  67   7.947  -6.666  -9.090
  473   2HG2  ILE  67          2HG       ILE  67   8.776  -6.976 -10.634
  474   3HG2  ILE  67          3HG       ILE  67   9.724  -6.621  -9.171
  475   1HD1  ILE  67          1HD       ILE  67  11.133  -2.876  -9.579
  476   2HD1  ILE  67          2HD       ILE  67  10.668  -4.278  -8.588
  477   3HD1  ILE  67          3HD       ILE  67  12.014  -4.413  -9.744
  478    H    LYS  68           HN       LYS  68   9.338  -5.036 -12.780
  479    HA   LYS  68           HA       LYS  68   7.562  -6.913 -14.182
  480   1HB   LYS  68          2HB       LYS  68   9.208  -4.640 -15.142
  481   2HB   LYS  68          3HB       LYS  68   9.301  -6.099 -16.107
  482   1HG   LYS  68          2HG       LYS  68   7.404  -5.243 -17.087
  483   2HG   LYS  68          3HG       LYS  68   6.608  -6.025 -15.736
  484   1HD   LYS  68          2HD       LYS  68   6.426  -3.981 -14.501
  485   2HD   LYS  68          3HD       LYS  68   7.631  -3.174 -15.485
  486   1HE   LYS  68          2HE       LYS  68   5.300  -4.180 -17.034
  487   2HE   LYS  68          3HE       LYS  68   4.884  -2.965 -15.841
  488   1HZ   LYS  68          1HZ       LYS  68   7.198  -2.141 -17.117
  489   2HZ   LYS  68          2HZ       LYS  68   6.147  -2.598 -18.281
  490   3HZ   LYS  68          3HZ       LYS  68   5.715  -1.461 -17.190
  491    HHA  HEC  98           HGM      HEC  98  -4.734  -5.379   8.183
  492    HHB  HEC  98           HDM      HEC  98  -1.943  -3.214  13.330
  493    HHC  HEC  98           HAM      HEC  98   1.425   0.743   9.708
  494    HHD  HEC  98           HBM      HEC  98  -1.793  -1.217   4.747
  495   1HMA  HEC  98          1HM       HEC  98  -4.423  -5.493  13.626
  496   2HMA  HEC  98          2HM       HEC  98  -3.172  -6.683  13.198
  497   3HMA  HEC  98          3HM       HEC  98  -2.705  -5.111  13.886
  498   1HAA  HEC  98          1HA       HEC  98  -4.891  -7.264  11.412
  499   2HAA  HEC  98          2HA       HEC  98  -5.698  -6.397  10.084
  500   1HBA  HEC  98          3HB       HEC  98  -4.853  -8.120   8.773
  501   2HBA  HEC  98          4HB       HEC  98  -3.346  -7.176   8.841
  502   1HMB  HEC  98          1HM       HEC  98  -0.848  -2.174  14.671
  503   2HMB  HEC  98          2HM       HEC  98   0.503  -1.030  14.839
  504   3HMB  HEC  98          3HM       HEC  98  -1.158  -0.422  14.654
  505    HAB  HEC  98           HT2      HEC  98   1.927   1.163  11.617
  506   1HBB  HEC  98          1HT       HEC  98   3.366  -0.621  12.079
  507   2HBB  HEC  98          2HT       HEC  98   3.659   0.750  13.175
  508   3HBB  HEC  98          3HT       HEC  98   2.801  -0.693  13.765
  509   1HMC  HEC  98          1HM       HEC  98   2.465   1.628   8.258
  510   2HMC  HEC  98          2HM       HEC  98   2.451   1.843   6.491
  511   3HMC  HEC  98          3HM       HEC  98   1.388   2.836   7.516
  512    HAC  HEC  98           HT4      HEC  98  -0.989   0.757   4.285
  513   1HBC  HEC  98          1HT       HEC  98   0.874   1.396   2.912
  514   2HBC  HEC  98          2HT       HEC  98   1.919   1.651   4.331
  515   3HBC  HEC  98          3HT       HEC  98   1.410   0.005   3.885
  516   1HMD  HEC  98          1HM       HEC  98  -4.336  -1.982   3.491
  517   2HMD  HEC  98          2HM       HEC  98  -2.633  -2.412   3.210
  518   3HMD  HEC  98          3HM       HEC  98  -3.893  -3.666   3.120
  519   1HAD  HEC  98          1HA       HEC  98  -5.480  -5.598   5.966
  520   2HAD  HEC  98          2HA       HEC  98  -5.311  -4.839   4.365
  521   1HBD  HEC  98          3HB       HEC  98  -3.079  -6.020   4.189
  522   2HBD  HEC  98          4HB       HEC  98  -3.567  -6.945   5.630
  523    HHA  HEC 128           HGM      HEC 128   7.897   3.372  -0.704
  524    HHB  HEC 128           HDM      HEC 128   3.791  -0.744  -2.979
  525    HHC  HEC 128           HAM      HEC 128  -0.653   1.791   0.753
  526    HHD  HEC 128           HBM      HEC 128   3.463   6.105   2.558
  527   1HMA  HEC 128          1HM       HEC 128   6.350  -1.906  -2.718
  528   2HMA  HEC 128          2HM       HEC 128   5.991  -0.947  -4.174
  529   3HMA  HEC 128          3HM       HEC 128   7.647  -0.996  -3.528
  530   1HAA  HEC 128          1HA       HEC 128   8.976   0.680  -2.873
  531   2HAA  HEC 128          2HA       HEC 128   8.969   2.193  -1.937
  532   1HBA  HEC 128          3HB       HEC 128   8.957   0.785   0.201
  533   2HBA  HEC 128          4HB       HEC 128   9.170  -0.663  -0.813
  534   1HMB  HEC 128          1HM       HEC 128   1.681  -2.275  -2.992
  535   2HMB  HEC 128          2HM       HEC 128   0.113  -1.542  -3.400
  536   3HMB  HEC 128          3HM       HEC 128   1.607  -0.904  -4.126
  537    HAB  HEC 128           HT2      HEC 128  -1.614   0.447  -0.461
  538   1HBB  HEC 128          1HT       HEC 128  -0.376  -2.076   0.059
  539   2HBB  HEC 128          2HT       HEC 128  -1.683  -1.193   0.883
  540   3HBB  HEC 128          3HT       HEC 128  -2.048  -2.205  -0.535
  541   1HMC  HEC 128          1HM       HEC 128  -1.612   4.186   3.302
  542   2HMC  HEC 128          2HM       HEC 128  -2.048   4.137   1.577
  543   3HMC  HEC 128          3HM       HEC 128  -1.630   2.634   2.432
  544    HAC  HEC 128           HT4      HEC 128   1.507   6.706   3.347
  545   1HBC  HEC 128          1HT       HEC 128  -0.418   5.144   4.539
  546   2HBC  HEC 128          2HT       HEC 128  -0.073   6.835   4.972
  547   3HBC  HEC 128          3HT       HEC 128  -1.402   6.458   3.850
  548   1HMD  HEC 128          1HM       HEC 128   4.875   7.625   2.597
  549   2HMD  HEC 128          2HM       HEC 128   6.187   6.889   3.548
  550   3HMD  HEC 128          3HM       HEC 128   6.568   7.831   2.087
  551   1HAD  HEC 128          1HA       HEC 128   8.896   4.791   0.774
  552   2HAD  HEC 128          2HA       HEC 128   8.458   6.514   0.852
  553   1HBD  HEC 128          3HB       HEC 128   8.456   6.547   3.155
  554   2HBD  HEC 128          4HB       HEC 128   8.197   4.791   3.288
  555    HHA  HEC 158           HGM      HEC 158  -2.993  -7.651  -6.415
  556    HHB  HEC 158           HDM      HEC 158  -2.366  -6.251 -12.466
  557    HHC  HEC 158           HAM      HEC 158  -0.946  -0.299 -10.831
  558    HHD  HEC 158           HBM      HEC 158  -1.166  -1.997  -4.841
  559   1HMA  HEC 158          1HM       HEC 158  -2.896  -9.361 -11.658
  560   2HMA  HEC 158          2HM       HEC 158  -4.616  -9.042 -11.327
  561   3HMA  HEC 158          3HM       HEC 158  -3.705  -7.969 -12.415
  562   1HAA  HEC 158          1HA       HEC 158  -3.991  -9.041  -7.245
  563   2HAA  HEC 158          2HA       HEC 158  -5.076  -9.339  -8.624
  564   1HBA  HEC 158          3HB       HEC 158  -2.936 -10.346  -9.804
  565   2HBA  HEC 158          4HB       HEC 158  -2.249 -10.415  -8.164
  566   1HMB  HEC 158          1HM       HEC 158  -0.396  -4.250 -14.633
  567   2HMB  HEC 158          2HM       HEC 158  -1.512  -5.528 -14.098
  568   3HMB  HEC 158          3HM       HEC 158  -2.145  -4.081 -14.918
  569    HAB  HEC 158           HT2      HEC 158  -0.221  -0.679 -13.023
  570   1HBB  HEC 158          1HT       HEC 158  -3.046  -0.541 -13.018
  571   2HBB  HEC 158          2HT       HEC 158  -1.796   0.725 -12.963
  572   3HBB  HEC 158          3HT       HEC 158  -2.359   0.098 -14.530
  573   1HMC  HEC 158          1HM       HEC 158   0.704   1.433  -9.319
  574   2HMC  HEC 158          2HM       HEC 158  -0.990   1.592  -9.843
  575   3HMC  HEC 158          3HM       HEC 158  -0.486   2.223  -8.258
  576    HAC  HEC 158           HT4      HEC 158  -0.280  -0.021  -4.910
  577   1HBC  HEC 158          1HT       HEC 158   0.329   2.601  -6.182
  578   2HBC  HEC 158          2HT       HEC 158  -1.374   2.087  -6.250
  579   3HBC  HEC 158          3HT       HEC 158  -0.549   2.232  -4.679
  580   1HMD  HEC 158          1HM       HEC 158  -0.578  -3.358  -2.917
  581   2HMD  HEC 158          2HM       HEC 158  -2.308  -2.973  -2.750
  582   3HMD  HEC 158          3HM       HEC 158  -1.698  -4.564  -2.238
  583   1HAD  HEC 158          1HA       HEC 158  -2.771  -6.160  -2.674
  584   2HAD  HEC 158          2HA       HEC 158  -4.064  -6.622  -3.807
  585   1HBD  HEC 158          3HB       HEC 158  -1.965  -8.209  -2.852
  586   2HBD  HEC 158          4HB       HEC 158  -3.143  -8.607  -4.127
  Start of MODEL   14
    1    H    ALA   1           HN       ALA   1   2.931  -6.603   8.764
    2    HA   ALA   1           HA       ALA   1   2.867  -7.491  11.559
    3   1HB   ALA   1          1HB       ALA   1   2.322  -9.265   9.677
    4   2HB   ALA   1          2HB       ALA   1   4.081  -9.219   9.411
    5   3HB   ALA   1          3HB       ALA   1   3.433  -9.678  11.004
    6    H    ASP   2           HN       ASP   2   4.871  -7.062   8.560
    7    HA   ASP   2           HA       ASP   2   6.671  -5.430   9.964
    8   1HB   ASP   2          2HB       ASP   2   7.312  -7.835  10.679
    9   2HB   ASP   2          3HB       ASP   2   7.798  -8.099   9.016
   10    H    VAL   3           HN       VAL   3   6.069  -7.722   7.230
   11    HA   VAL   3           HA       VAL   3   6.300  -5.733   5.282
   12    HB   VAL   3           HB       VAL   3   8.654  -5.749   5.797
   13   1HG1  VAL   3          1HG       VAL   3   9.982  -7.592   6.072
   14   2HG1  VAL   3          2HG       VAL   3   8.427  -8.289   6.588
   15   3HG1  VAL   3          3HG       VAL   3   9.032  -8.586   4.941
   16   1HG2  VAL   3          1HG       VAL   3   7.675  -6.806   3.191
   17   2HG2  VAL   3          2HG       VAL   3   8.563  -5.310   3.565
   18   3HG2  VAL   3          3HG       VAL   3   9.431  -6.860   3.475
   19    H    VAL   4           HN       VAL   4   4.205  -6.959   5.155
   20    HA   VAL   4           HA       VAL   4   4.090  -9.653   4.527
   21    HB   VAL   4           HB       VAL   4   2.333  -7.274   3.995
   22   1HG1  VAL   4          1HG       VAL   4   2.047  -8.860   2.102
   23   2HG1  VAL   4          2HG       VAL   4   1.642 -10.140   3.270
   24   3HG1  VAL   4          3HG       VAL   4   0.591  -8.712   3.115
   25   1HG2  VAL   4          1HG       VAL   4   2.038  -9.732   5.755
   26   2HG2  VAL   4          2HG       VAL   4   2.472  -8.091   6.295
   27   3HG2  VAL   4          3HG       VAL   4   0.857  -8.408   5.616
   28    H    THR   5           HN       THR   5   3.616 -10.692   2.416
   29    HA   THR   5           HA       THR   5   4.712  -9.213   0.133
   30    HB   THR   5           HB       THR   5   5.656 -11.881   1.281
   31    HG1  THR   5           HG1      THR   5   7.678 -10.596   1.001
   32   1HG2  THR   5          1HG       THR   5   6.249 -10.629  -1.453
   33   2HG2  THR   5          2HG       THR   5   7.127 -12.008  -0.747
   34   3HG2  THR   5          3HG       THR   5   5.409 -12.175  -1.184
   35    H    TYR   6           HN       TYR   6   3.432  -9.319  -1.602
   36    HA   TYR   6           HA       TYR   6   1.571 -11.596  -1.717
   37   1HB   TYR   6          2HB       TYR   6   1.323  -8.583  -1.960
   38   2HB   TYR   6          3HB       TYR   6   0.346  -9.519  -3.073
   39    HD1  TYR   6           HD1      TYR   6  -1.863  -9.616  -2.389
   40    HD2  TYR   6           HD2      TYR   6   1.219  -9.890   0.568
   41    HE1  TYR   6           HE1      TYR   6  -3.619  -9.927  -0.577
   42    HE2  TYR   6           HE2      TYR   6  -0.548 -10.201   2.369
   43    HH   TYR   6           HH       TYR   6  -3.510  -9.361   2.151
   44    H    GLU   7           HN       GLU   7   2.967 -12.777  -3.140
   45    HA   GLU   7           HA       GLU   7   3.885 -11.487  -5.502
   46   1HB   GLU   7          2HB       GLU   7   4.772 -13.739  -6.078
   47   2HB   GLU   7          3HB       GLU   7   5.230 -13.251  -4.459
   48   1HG   GLU   7          2HG       GLU   7   3.485 -14.648  -3.464
   49   2HG   GLU   7          3HG       GLU   7   2.793 -14.995  -5.037
   50    H    ASN   8           HN       ASN   8   3.005 -11.567  -7.575
   51    HA   ASN   8           HA       ASN   8   0.649 -13.244  -7.868
   52   1HB   ASN   8          2HB       ASN   8  -0.259 -11.263  -9.331
   53   2HB   ASN   8          3HB       ASN   8  -0.369 -11.109  -7.589
   54   1HD2  ASN   8          1HD       ASN   8   0.717  -9.556  -6.537
   55   2HD2  ASN   8          2HD       ASN   8   1.735  -8.366  -7.276
   56    H    LYS   9           HN       LYS   9   0.019 -12.798 -10.516
   57    HA   LYS   9           HA       LYS   9   2.231 -13.948 -11.874
   58   1HB   LYS   9          2HB       LYS   9  -0.615 -13.357 -12.422
   59   2HB   LYS   9          3HB       LYS   9   0.428 -13.326 -13.829
   60   1HG   LYS   9          2HG       LYS   9   0.850 -15.588 -13.741
   61   2HG   LYS   9          3HG       LYS   9   0.938 -15.612 -11.991
   62   1HD   LYS   9          2HD       LYS   9  -1.151 -16.485 -11.926
   63   2HD   LYS   9          3HD       LYS   9  -1.774 -14.994 -12.602
   64   1HE   LYS   9          2HE       LYS   9  -0.516 -16.716 -14.649
   65   2HE   LYS   9          3HE       LYS   9  -1.846 -17.514 -13.831
   66   1HZ   LYS   9          1HZ       LYS   9  -3.232 -15.633 -14.342
   67   2HZ   LYS   9          2HZ       LYS   9  -1.993 -14.850 -15.064
   68   3HZ   LYS   9          3HZ       LYS   9  -2.582 -16.227 -15.717
   69    H    LYS  10           HN       LYS  10   0.380 -10.865 -12.438
   70    HA   LYS  10           HA       LYS  10   2.046  -9.777 -14.290
   71   1HB   LYS  10          2HB       LYS  10   0.411  -8.460 -12.108
   72   2HB   LYS  10          3HB       LYS  10   1.215  -7.559 -13.379
   73   1HG   LYS  10          2HG       LYS  10  -0.475  -9.892 -14.237
   74   2HG   LYS  10          3HG       LYS  10  -1.324  -8.487 -13.623
   75   1HD   LYS  10          2HD       LYS  10   0.809  -7.691 -15.475
   76   2HD   LYS  10          3HD       LYS  10  -0.278  -8.838 -16.233
   77   1HE   LYS  10          2HE       LYS  10  -1.908  -6.978 -14.763
   78   2HE   LYS  10          3HE       LYS  10  -0.733  -6.036 -15.659
   79   1HZ   LYS  10          1HZ       LYS  10  -2.814  -6.643 -16.859
   80   2HZ   LYS  10          2HZ       LYS  10  -1.432  -7.002 -17.651
   81   3HZ   LYS  10          3HZ       LYS  10  -2.281  -8.186 -16.913
   82    H    GLY  11           HN       GLY  11   2.150  -8.298 -11.020
   83   1HA   GLY  11          1HA       GLY  11   5.016  -8.845 -10.826
   84   2HA   GLY  11          2HA       GLY  11   4.525  -7.171 -10.987
   85    H    ASN  12           HN       ASN  12   5.403  -9.421  -8.739
   86    HA   ASN  12           HA       ASN  12   3.592  -9.525  -6.794
   87   1HB   ASN  12          2HB       ASN  12   6.531  -8.812  -6.307
   88   2HB   ASN  12          3HB       ASN  12   5.477  -9.669  -5.201
   89   1HD2  ASN  12          1HD       ASN  12   7.844 -10.754  -5.900
   90   2HD2  ASN  12          2HD       ASN  12   7.638 -12.141  -6.918
   91    H    VAL  13           HN       VAL  13   3.009  -8.152  -4.946
   92    HA   VAL  13           HA       VAL  13   3.871  -5.357  -5.220
   93    HB   VAL  13           HB       VAL  13   1.608  -5.720  -6.127
   94   1HG1  VAL  13          1HG       VAL  13   1.308  -7.417  -3.887
   95   2HG1  VAL  13          2HG       VAL  13   0.184  -6.060  -3.640
   96   3HG1  VAL  13          3HG       VAL  13   0.098  -7.026  -5.132
   97   1HG2  VAL  13          1HG       VAL  13   2.022  -4.031  -3.666
   98   2HG2  VAL  13          2HG       VAL  13   1.919  -3.537  -5.374
   99   3HG2  VAL  13          3HG       VAL  13   0.450  -4.044  -4.503
  100    H    THR  14           HN       THR  14   5.401  -6.893  -3.646
  101    HA   THR  14           HA       THR  14   4.587  -7.541  -1.116
  102    HB   THR  14           HB       THR  14   7.191  -6.498  -2.307
  103    HG1  THR  14           HG1      THR  14   7.224  -8.679  -2.670
  104   1HG2  THR  14          1HG       THR  14   6.885  -6.111   0.314
  105   2HG2  THR  14          2HG       THR  14   7.027  -7.884   0.388
  106   3HG2  THR  14          3HG       THR  14   8.356  -6.913  -0.290
  107    H    PHE  15           HN       PHE  15   3.550  -6.466   0.431
  108    HA   PHE  15           HA       PHE  15   3.404  -3.627   0.333
  109   1HB   PHE  15          2HB       PHE  15   2.594  -5.779   2.378
  110   2HB   PHE  15          3HB       PHE  15   2.101  -4.103   2.508
  111    HD1  PHE  15           HD1      PHE  15   1.062  -7.235   1.476
  112    HD2  PHE  15           HD2      PHE  15   0.979  -3.180   0.226
  113    HE1  PHE  15           HE1      PHE  15  -0.947  -7.715   0.049
  114    HE2  PHE  15           HE2      PHE  15  -1.029  -3.661  -1.200
  115    HZ   PHE  15           HZ       PHE  15  -1.969  -5.922  -1.272
  116    H    ASP  16           HN       ASP  16   3.474  -2.740   2.937
  117    HA   ASP  16           HA       ASP  16   6.001  -3.564   4.037
  118   1HB   ASP  16          2HB       ASP  16   5.412  -0.809   2.904
  119   2HB   ASP  16          3HB       ASP  16   6.539  -0.982   4.234
  120    H    HIS  17           HN       HIS  17   5.737  -3.589   6.284
  121    HA   HIS  17           HA       HIS  17   3.510  -2.004   7.333
  122   1HB   HIS  17          2HB       HIS  17   3.987  -4.738   7.499
  123   2HB   HIS  17          3HB       HIS  17   4.533  -4.140   9.054
  124    HD1  HIS  17           HD1      HIS  17   1.639  -5.541   7.679
  125    HD2  HIS  17           HD2      HIS  17   2.303  -2.115  10.008
  126    HE1  HIS  17           HE1      HIS  17  -0.597  -4.972   8.767
  127    H    LYS  18           HN       LYS  18   6.682  -3.419   8.428
  128    HA   LYS  18           HA       LYS  18   6.981  -1.309  10.340
  129   1HB   LYS  18          2HB       LYS  18   8.082  -3.918   9.863
  130   2HB   LYS  18          3HB       LYS  18   9.400  -2.772   9.992
  131   1HG   LYS  18          2HG       LYS  18   7.735  -1.933  12.049
  132   2HG   LYS  18          3HG       LYS  18   7.462  -3.664  12.063
  133   1HD   LYS  18          2HD       LYS  18   9.325  -3.536  13.458
  134   2HD   LYS  18          3HD       LYS  18  10.117  -3.799  11.917
  135   1HE   LYS  18          2HE       LYS  18   9.536  -0.961  12.796
  136   2HE   LYS  18          3HE       LYS  18  10.891  -1.809  13.513
  137   1HZ   LYS  18          1HZ       LYS  18  11.804  -0.860  11.669
  138   2HZ   LYS  18          2HZ       LYS  18  11.447  -2.342  11.081
  139   3HZ   LYS  18          3HZ       LYS  18  10.486  -1.071  10.728
  140    H    ALA  19           HN       ALA  19   8.520  -2.276   7.210
  141    HA   ALA  19           HA       ALA  19  10.400  -0.234   7.142
  142   1HB   ALA  19          1HB       ALA  19  10.856  -1.072   5.062
  143   2HB   ALA  19          2HB       ALA  19   9.812  -2.400   5.622
  144   3HB   ALA  19          3HB       ALA  19   9.142  -1.117   4.585
  145    H    HIS  20           HN       HIS  20   6.906  -0.249   6.601
  146    HA   HIS  20           HA       HIS  20   7.023   2.361   5.356
  147   1HB   HIS  20          2HB       HIS  20   5.062   0.177   5.590
  148   2HB   HIS  20          3HB       HIS  20   4.360   1.775   5.752
  149    HD1  HIS  20           HD1      HIS  20   7.294   0.998   3.454
  150    HD2  HIS  20           HD2      HIS  20   3.203   1.894   3.230
  151    HE1  HIS  20           HE1      HIS  20   6.781   1.385   0.984
  152    H    ALA  21           HN       ALA  21   5.580   0.784   8.293
  153    HA   ALA  21           HA       ALA  21   4.465   2.906   9.509
  154   1HB   ALA  21          1HB       ALA  21   4.454   0.613  10.387
  155   2HB   ALA  21          2HB       ALA  21   6.187   0.735  10.773
  156   3HB   ALA  21          3HB       ALA  21   5.010   1.750  11.638
  157    H    GLU  22           HN       GLU  22   7.979   2.007   9.616
  158    HA   GLU  22           HA       GLU  22   8.911   3.836  11.299
  159   1HB   GLU  22          2HB       GLU  22  11.000   3.884   9.837
  160   2HB   GLU  22          3HB       GLU  22  10.425   2.288  10.272
  161   1HG   GLU  22          2HG       GLU  22   9.868   1.749   8.109
  162   2HG   GLU  22          3HG       GLU  22   9.223   3.343   7.768
  163    H    LYS  23           HN       LYS  23   7.467   4.446   8.138
  164    HA   LYS  23           HA       LYS  23   8.272   7.259   8.337
  165   1HB   LYS  23          2HB       LYS  23   7.798   5.399   6.075
  166   2HB   LYS  23          3HB       LYS  23   7.186   7.025   5.859
  167   1HG   LYS  23          2HG       LYS  23  10.021   6.495   6.839
  168   2HG   LYS  23          3HG       LYS  23   9.635   6.576   5.131
  169   1HD   LYS  23          2HD       LYS  23   8.557   8.877   5.624
  170   2HD   LYS  23          3HD       LYS  23   9.304   8.784   7.207
  171   1HE   LYS  23          2HE       LYS  23  11.003   8.336   4.737
  172   2HE   LYS  23          3HE       LYS  23  10.579   9.971   5.202
  173   1HZ   LYS  23          1HZ       LYS  23  12.672   9.006   6.160
  174   2HZ   LYS  23          2HZ       LYS  23  11.662   9.722   7.224
  175   3HZ   LYS  23          3HZ       LYS  23  11.728   8.093   7.130
  176    H    LEU  24           HN       LEU  24   5.448   5.126   7.512
  177    HA   LEU  24           HA       LEU  24   3.572   7.192   7.635
  178   1HB   LEU  24          2HB       LEU  24   3.326   4.202   7.954
  179   2HB   LEU  24          3HB       LEU  24   1.950   5.286   7.898
  180    HG   LEU  24           HG       LEU  24   2.725   6.048   5.629
  181   1HD1  LEU  24          1HD       LEU  24   4.286   4.494   4.423
  182   2HD1  LEU  24          2HD       LEU  24   5.045   5.511   5.671
  183   3HD1  LEU  24          3HD       LEU  24   4.708   3.795   6.005
  184   1HD2  LEU  24          1HD       LEU  24   2.280   3.083   5.532
  185   2HD2  LEU  24          2HD       LEU  24   1.027   4.147   6.214
  186   3HD2  LEU  24          3HD       LEU  24   1.573   4.379   4.536
  187    H    GLY  25           HN       GLY  25   2.703   4.638   9.823
  188   1HA   GLY  25          1HA       GLY  25   3.618   5.298  12.263
  189   2HA   GLY  25          2HA       GLY  25   2.437   6.560  11.974
  190    H    CYS  26           HN       CYS  26   0.439   5.230  10.506
  191    HA   CYS  26           HA       CYS  26  -0.395   2.804  11.061
  192   1HB   CYS  26          2HB       CYS  26  -0.393   4.321  13.594
  193   2HB   CYS  26          3HB       CYS  26  -1.885   3.470  13.241
  194    H    ASP  27           HN       ASP  27  -1.771   5.968  12.245
  195    HA   ASP  27           HA       ASP  27  -4.253   5.759  11.391
  196   1HB   ASP  27          2HB       ASP  27  -4.072   8.298  10.821
  197   2HB   ASP  27          3HB       ASP  27  -3.690   7.789  12.453
  198    H    ALA  28           HN       ALA  28  -1.332   6.095   9.405
  199    HA   ALA  28           HA       ALA  28  -2.115   7.135   7.073
  200   1HB   ALA  28          1HB       ALA  28  -0.669   5.089   6.119
  201   2HB   ALA  28          2HB       ALA  28   0.072   6.408   7.057
  202   3HB   ALA  28          3HB       ALA  28  -0.321   4.864   7.850
  203    H    CYS  29           HN       CYS  29  -2.258   3.532   7.498
  204    HA   CYS  29           HA       CYS  29  -4.562   3.569   5.715
  205   1HB   CYS  29          2HB       CYS  29  -3.635   0.924   6.354
  206   2HB   CYS  29          3HB       CYS  29  -3.748   1.728   4.800
  207    H    HIS  30           HN       HIS  30  -3.503   3.122   9.023
  208    HA   HIS  30           HA       HIS  30  -6.064   1.865   9.677
  209   1HB   HIS  30          2HB       HIS  30  -3.488   1.989  11.270
  210   2HB   HIS  30          3HB       HIS  30  -4.976   1.240  11.814
  211    HD1  HIS  30           HD1      HIS  30  -5.648  -1.049  10.749
  212    HD2  HIS  30           HD2      HIS  30  -2.031   0.527   9.326
  213    HE1  HIS  30           HE1      HIS  30  -4.499  -2.937   9.477
  214    H    GLU  31           HN       GLU  31  -5.966   2.632  12.485
  215    HA   GLU  31           HA       GLU  31  -5.920   5.504  12.420
  216   1HB   GLU  31          2HB       GLU  31  -8.226   5.813  13.078
  217   2HB   GLU  31          3HB       GLU  31  -8.220   4.842  11.619
  218   1HG   GLU  31          2HG       GLU  31  -8.131   2.825  13.426
  219   2HG   GLU  31          3HG       GLU  31  -8.896   4.034  14.438
  220    H    GLY  32           HN       GLY  32  -7.694   5.488  14.918
  221   1HA   GLY  32          1HA       GLY  32  -5.672   5.306  16.841
  222   2HA   GLY  32          2HA       GLY  32  -7.396   5.400  17.143
  223    H    THR  33           HN       THR  33  -7.642   2.833  15.320
  224    HA   THR  33           HA       THR  33  -6.369   0.820  16.940
  225    HB   THR  33           HB       THR  33  -9.388   1.324  17.043
  226    HG1  THR  33           HG1      THR  33  -8.786   1.571  19.297
  227   1HG2  THR  33          1HG       THR  33  -9.502  -0.680  18.466
  228   2HG2  THR  33          2HG       THR  33  -8.816  -1.151  16.892
  229   3HG2  THR  33          3HG       THR  33  -7.749  -0.937  18.301
  230    HA   PRO  34           HA       PRO  34  -6.739  -0.697  12.860
  231   1HB   PRO  34          2HB       PRO  34  -4.687  -2.494  13.017
  232   2HB   PRO  34          3HB       PRO  34  -4.460  -0.818  12.556
  233   1HG   PRO  34          2HG       PRO  34  -3.809  -2.141  15.119
  234   2HG   PRO  34          3HG       PRO  34  -3.219  -0.615  14.490
  235   1HD   PRO  34          2HD       PRO  34  -5.212  -0.979  16.521
  236   2HD   PRO  34          3HD       PRO  34  -4.705   0.541  15.809
  237    H    ALA  35           HN       ALA  35  -6.252  -3.324  12.139
  238    HA   ALA  35           HA       ALA  35  -7.248  -5.236  13.801
  239   1HB   ALA  35          1HB       ALA  35  -9.393  -4.621  14.153
  240   2HB   ALA  35          2HB       ALA  35  -9.333  -3.383  12.876
  241   3HB   ALA  35          3HB       ALA  35  -9.678  -5.079  12.456
  242    H    LYS  36           HN       LYS  36  -8.000  -3.941  10.484
  243    HA   LYS  36           HA       LYS  36  -6.303  -5.698   9.175
  244   1HB   LYS  36          2HB       LYS  36  -7.565  -7.508   8.494
  245   2HB   LYS  36          3HB       LYS  36  -8.077  -7.320  10.160
  246   1HG   LYS  36          2HG       LYS  36 -10.214  -7.144   9.425
  247   2HG   LYS  36          3HG       LYS  36  -9.794  -5.609   8.695
  248   1HD   LYS  36          2HD       LYS  36  -8.840  -7.789   7.009
  249   2HD   LYS  36          3HD       LYS  36 -10.541  -8.019   7.362
  250   1HE   LYS  36          2HE       LYS  36  -9.906  -5.205   6.724
  251   2HE   LYS  36          3HE       LYS  36  -9.474  -6.293   5.420
  252   1HZ   LYS  36          1HZ       LYS  36 -11.602  -6.360   4.923
  253   2HZ   LYS  36          2HZ       LYS  36 -11.931  -7.108   6.337
  254   3HZ   LYS  36          3HZ       LYS  36 -12.020  -5.481   6.233
  255    H    ILE  37           HN       ILE  37  -6.518  -5.500   6.801
  256    HA   ILE  37           HA       ILE  37  -8.322  -3.317   6.044
  257    HB   ILE  37           HB       ILE  37  -5.392  -3.549   5.349
  258   1HG1  ILE  37          2HG       ILE  37  -6.904  -1.612   7.121
  259   2HG1  ILE  37          3HG       ILE  37  -5.679  -2.763   7.616
  260   1HG2  ILE  37          1HG       ILE  37  -7.594  -1.781   4.315
  261   2HG2  ILE  37          2HG       ILE  37  -5.908  -1.212   4.353
  262   3HG2  ILE  37          3HG       ILE  37  -6.337  -2.667   3.421
  263   1HD1  ILE  37          1HD       ILE  37  -5.354  -0.196   6.054
  264   2HD1  ILE  37          2HD       ILE  37  -4.419  -0.796   7.446
  265   3HD1  ILE  37          3HD       ILE  37  -4.167  -1.505   5.833
  266    H    ALA  38           HN       ALA  38  -9.115  -3.416   3.890
  267    HA   ALA  38           HA       ALA  38  -8.857  -6.093   2.749
  268   1HB   ALA  38          1HB       ALA  38 -11.120  -5.427   3.193
  269   2HB   ALA  38          2HB       ALA  38 -10.871  -3.838   2.429
  270   3HB   ALA  38          3HB       ALA  38 -10.889  -5.313   1.432
  271    H    ILE  39           HN       ILE  39  -7.169  -6.256   1.342
  272    HA   ILE  39           HA       ILE  39  -6.834  -4.020  -0.535
  273    HB   ILE  39           HB       ILE  39  -4.817  -5.834   0.766
  274   1HG1  ILE  39          2HG       ILE  39  -5.636  -3.653   1.841
  275   2HG1  ILE  39          3HG       ILE  39  -3.908  -3.907   1.706
  276   1HG2  ILE  39          1HG       ILE  39  -3.957  -5.927  -1.357
  277   2HG2  ILE  39          2HG       ILE  39  -4.641  -4.352  -1.827
  278   3HG2  ILE  39          3HG       ILE  39  -3.211  -4.421  -0.769
  279   1HD1  ILE  39          1HD       ILE  39  -3.636  -2.235   0.138
  280   2HD1  ILE  39          2HD       ILE  39  -5.212  -2.552  -0.624
  281   3HD1  ILE  39          3HD       ILE  39  -5.128  -1.622   0.892
  282    H    ASP  40           HN       ASP  40  -7.377  -4.470  -2.596
  283    HA   ASP  40           HA       ASP  40  -6.697  -6.971  -3.714
  284   1HB   ASP  40          2HB       ASP  40  -9.178  -6.912  -2.432
  285   2HB   ASP  40          3HB       ASP  40  -9.607  -6.527  -4.087
  286    H    LYS  41           HN       LYS  41  -7.758  -7.006  -6.111
  287    HA   LYS  41           HA       LYS  41  -7.109  -4.504  -7.276
  288   1HB   LYS  41          2HB       LYS  41  -6.798  -6.914  -8.191
  289   2HB   LYS  41          3HB       LYS  41  -8.468  -6.786  -8.703
  290   1HG   LYS  41          2HG       LYS  41  -7.583  -4.403  -9.648
  291   2HG   LYS  41          3HG       LYS  41  -6.059  -5.269  -9.674
  292   1HD   LYS  41          2HD       LYS  41  -6.847  -6.886 -11.221
  293   2HD   LYS  41          3HD       LYS  41  -8.529  -6.578 -10.841
  294   1HE   LYS  41          2HE       LYS  41  -8.135  -5.570 -12.994
  295   2HE   LYS  41          3HE       LYS  41  -8.247  -4.246 -11.851
  296   1HZ   LYS  41          1HZ       LYS  41  -6.128  -3.730 -12.180
  297   2HZ   LYS  41          2HZ       LYS  41  -5.604  -5.276 -12.147
  298   3HZ   LYS  41          3HZ       LYS  41  -6.209  -4.649 -13.528
  299    H    LYS  42           HN       LYS  42  -8.844  -3.516  -5.648
  300    HA   LYS  42           HA       LYS  42 -11.033  -2.761  -7.336
  301   1HB   LYS  42          2HB       LYS  42 -12.758  -3.356  -5.578
  302   2HB   LYS  42          3HB       LYS  42 -12.119  -4.687  -6.522
  303   1HG   LYS  42          2HG       LYS  42 -11.633  -5.702  -4.548
  304   2HG   LYS  42          3HG       LYS  42 -10.330  -4.544  -4.375
  305   1HD   LYS  42          2HD       LYS  42 -12.036  -2.947  -3.301
  306   2HD   LYS  42          3HD       LYS  42 -13.167  -4.286  -3.285
  307   1HE   LYS  42          2HE       LYS  42 -11.641  -5.623  -1.879
  308   2HE   LYS  42          3HE       LYS  42 -10.402  -4.388  -1.988
  309   1HZ   LYS  42          1HZ       LYS  42 -11.496  -3.072  -0.554
  310   2HZ   LYS  42          2HZ       LYS  42 -12.988  -3.538  -1.026
  311   3HZ   LYS  42          3HZ       LYS  42 -12.115  -4.488  -0.025
  312    H    SER  43           HN       SER  43  -9.633  -2.767  -3.994
  313    HA   SER  43           HA       SER  43 -10.308   0.064  -3.894
  314   1HB   SER  43          2HB       SER  43 -10.177  -2.114  -1.872
  315   2HB   SER  43          3HB       SER  43  -9.493  -0.591  -1.339
  316    HG   SER  43           HG       SER  43 -12.168  -1.044  -2.351
  317    H    ALA  44           HN       ALA  44  -7.710  -2.384  -3.599
  318    HA   ALA  44           HA       ALA  44  -5.685  -0.767  -2.626
  319   1HB   ALA  44          1HB       ALA  44  -5.997  -3.394  -3.446
  320   2HB   ALA  44          2HB       ALA  44  -4.867  -2.741  -4.655
  321   3HB   ALA  44          3HB       ALA  44  -4.467  -2.650  -2.924
  322    H    HIS  45           HN       HIS  45  -7.397  -0.665  -5.647
  323    HA   HIS  45           HA       HIS  45  -5.213   0.813  -6.892
  324   1HB   HIS  45          2HB       HIS  45  -7.587  -0.697  -7.890
  325   2HB   HIS  45          3HB       HIS  45  -7.053   0.677  -8.836
  326    HD1  HIS  45           HD1      HIS  45  -6.146  -0.716 -10.798
  327    HD2  HIS  45           HD2      HIS  45  -4.417  -1.695  -7.105
  328    HE1  HIS  45           HE1      HIS  45  -4.160  -2.231 -11.318
  329    H    LYS  46           HN       LYS  46  -7.515   1.479  -4.706
  330    HA   LYS  46           HA       LYS  46  -8.212   4.031  -5.987
  331   1HB   LYS  46          2HB       LYS  46  -9.854   2.038  -4.618
  332   2HB   LYS  46          3HB       LYS  46 -10.023   3.631  -3.908
  333   1HG   LYS  46          2HG       LYS  46 -10.094   3.330  -6.924
  334   2HG   LYS  46          3HG       LYS  46 -11.520   2.938  -5.986
  335   1HD   LYS  46          2HD       LYS  46 -11.978   5.132  -5.533
  336   2HD   LYS  46          3HD       LYS  46 -10.306   5.502  -5.163
  337   1HE   LYS  46          2HE       LYS  46  -9.753   5.736  -7.534
  338   2HE   LYS  46          3HE       LYS  46 -11.320   5.118  -8.016
  339   1HZ   LYS  46          1HZ       LYS  46 -12.089   7.158  -7.885
  340   2HZ   LYS  46          2HZ       LYS  46 -11.728   7.253  -6.296
  341   3HZ   LYS  46          3HZ       LYS  46 -10.634   7.730  -7.410
  342    H    ASP  47           HN       ASP  47  -9.140   5.313  -3.619
  343    HA   ASP  47           HA       ASP  47  -7.020   6.573  -2.726
  344   1HB   ASP  47          2HB       ASP  47  -9.363   5.658  -0.991
  345   2HB   ASP  47          3HB       ASP  47  -8.273   6.964  -0.568
  346    H    ALA  48           HN       ALA  48  -8.054   3.282  -1.856
  347    HA   ALA  48           HA       ALA  48  -6.922   2.743   0.502
  348   1HB   ALA  48          1HB       ALA  48  -8.061   1.228  -1.296
  349   2HB   ALA  48          2HB       ALA  48  -6.397   0.921  -1.851
  350   3HB   ALA  48          3HB       ALA  48  -6.873   0.501  -0.188
  351    H    CYS  49           HN       CYS  49  -5.114   2.626  -2.654
  352    HA   CYS  49           HA       CYS  49  -2.700   3.151  -1.074
  353   1HB   CYS  49          2HB       CYS  49  -3.112   1.347  -3.450
  354   2HB   CYS  49          3HB       CYS  49  -1.530   1.985  -3.052
  355    H    LYS  50           HN       LYS  50  -4.299   3.416  -4.330
  356    HA   LYS  50           HA       LYS  50  -2.735   5.055  -5.680
  357   1HB   LYS  50          2HB       LYS  50  -5.616   4.630  -5.505
  358   2HB   LYS  50          3HB       LYS  50  -5.232   6.259  -6.023
  359   1HG   LYS  50          2HG       LYS  50  -3.699   3.978  -7.274
  360   2HG   LYS  50          3HG       LYS  50  -5.361   4.223  -7.771
  361   1HD   LYS  50          2HD       LYS  50  -3.709   6.707  -7.666
  362   2HD   LYS  50          3HD       LYS  50  -3.201   5.538  -8.868
  363   1HE   LYS  50          2HE       LYS  50  -5.756   5.435  -9.516
  364   2HE   LYS  50          3HE       LYS  50  -5.886   6.938  -8.623
  365   1HZ   LYS  50          1HZ       LYS  50  -5.290   7.791 -10.578
  366   2HZ   LYS  50          2HZ       LYS  50  -3.766   7.420 -10.126
  367   3HZ   LYS  50          3HZ       LYS  50  -4.586   6.424 -11.126
  368    H    THR  51           HN       THR  51  -5.347   6.611  -3.703
  369    HA   THR  51           HA       THR  51  -4.513   9.122  -3.651
  370    HB   THR  51           HB       THR  51  -5.657   7.320  -1.485
  371    HG1  THR  51           HG1      THR  51  -6.481   9.648  -3.076
  372   1HG2  THR  51          1HG       THR  51  -5.302   8.911   0.116
  373   2HG2  THR  51          2HG       THR  51  -4.443   9.940  -1.054
  374   3HG2  THR  51          3HG       THR  51  -6.211  10.061  -0.894
  375    H    CYS  52           HN       CYS  52  -3.469   7.089  -0.849
  376    HA   CYS  52           HA       CYS  52  -1.297   8.832  -0.378
  377   1HB   CYS  52          2HB       CYS  52  -2.158   7.835   1.530
  378   2HB   CYS  52          3HB       CYS  52  -2.248   6.245   0.798
  379    H    HIS  53           HN       HIS  53  -0.117   8.840  -2.413
  380    HA   HIS  53           HA       HIS  53   2.057   7.300  -2.580
  381   1HB   HIS  53          2HB       HIS  53  -0.248   5.742  -3.404
  382   2HB   HIS  53          3HB       HIS  53   0.888   5.908  -4.728
  383    HD1  HIS  53           HD1      HIS  53   1.900   3.582  -4.717
  384    HD2  HIS  53           HD2      HIS  53   2.006   5.424  -0.950
  385    HE1  HIS  53           HE1      HIS  53   3.319   2.076  -3.224
  386    H    LYS  54           HN       LYS  54  -0.672   8.506  -4.623
  387    HA   LYS  54           HA       LYS  54   1.105   9.384  -6.677
  388   1HB   LYS  54          2HB       LYS  54  -0.975  10.418  -7.604
  389   2HB   LYS  54          3HB       LYS  54  -1.084   8.692  -7.317
  390   1HG   LYS  54          2HG       LYS  54  -2.543   8.932  -5.504
  391   2HG   LYS  54          3HG       LYS  54  -1.932  10.519  -5.077
  392   1HD   LYS  54          2HD       LYS  54  -2.963  11.298  -7.364
  393   2HD   LYS  54          3HD       LYS  54  -3.850   9.788  -7.317
  394   1HE   LYS  54          2HE       LYS  54  -5.379  10.799  -5.978
  395   2HE   LYS  54          3HE       LYS  54  -4.162  10.861  -4.717
  396   1HZ   LYS  54          1HZ       LYS  54  -4.645  13.042  -4.982
  397   2HZ   LYS  54          2HZ       LYS  54  -3.411  12.938  -6.047
  398   3HZ   LYS  54          3HZ       LYS  54  -4.955  12.935  -6.582
  399    H    SER  55           HN       SER  55   2.539  10.494  -4.968
  400    HA   SER  55           HA       SER  55   2.161  13.232  -5.261
  401   1HB   SER  55          2HB       SER  55   0.480  13.030  -3.501
  402   2HB   SER  55          3HB       SER  55   1.574  12.106  -2.491
  403    HG   SER  55           HG       SER  55   2.830  13.930  -2.106
  404    H    ASN  56           HN       ASN  56   3.474  10.898  -2.785
  405    HA   ASN  56           HA       ASN  56   5.974  12.295  -2.867
  406   1HB   ASN  56          2HB       ASN  56   4.880   9.941  -1.264
  407   2HB   ASN  56          3HB       ASN  56   6.580  10.358  -1.190
  408   1HD2  ASN  56          1HD       ASN  56   6.740  11.113   0.821
  409   2HD2  ASN  56          2HD       ASN  56   5.908  12.494   1.455
  410    H    ASN  57           HN       ASN  57   7.933  10.388  -2.646
  411    HA   ASN  57           HA       ASN  57   8.251   9.480  -5.214
  412   1HB   ASN  57          2HB       ASN  57  10.107   8.034  -4.163
  413   2HB   ASN  57          3HB       ASN  57  10.203   9.749  -3.815
  414   1HD2  ASN  57          1HD       ASN  57  11.541   8.177  -2.191
  415   2HD2  ASN  57          2HD       ASN  57  10.791   7.999  -0.640
  416    H    GLY  58           HN       GLY  58   6.795   7.982  -6.114
  417   1HA   GLY  58          1HA       GLY  58   6.719   5.321  -5.021
  418   2HA   GLY  58          2HA       GLY  58   5.197   6.177  -4.860
  419    HA   PRO  59           HA       PRO  59   5.099   4.435  -9.009
  420   1HB   PRO  59          2HB       PRO  59   2.544   3.471  -8.903
  421   2HB   PRO  59          3HB       PRO  59   3.950   2.508  -8.492
  422   1HG   PRO  59          2HG       PRO  59   1.951   3.733  -6.691
  423   2HG   PRO  59          3HG       PRO  59   3.089   2.444  -6.353
  424   1HD   PRO  59          2HD       PRO  59   3.310   5.185  -5.538
  425   2HD   PRO  59          3HD       PRO  59   4.501   3.922  -5.302
  426    H    THR  60           HN       THR  60   3.839   4.924 -10.973
  427    HA   THR  60           HA       THR  60   1.777   6.765 -10.940
  428    HB   THR  60           HB       THR  60   4.530   7.918 -10.601
  429    HG1  THR  60           HG1      THR  60   1.765   8.853 -10.289
  430   1HG2  THR  60          1HG       THR  60   4.339   9.032 -12.641
  431   2HG2  THR  60          2HG       THR  60   2.579   8.781 -12.725
  432   3HG2  THR  60          3HG       THR  60   3.248  10.061 -11.683
  433    H    LYS  61           HN       LYS  61   4.740   5.540 -12.516
  434    HA   LYS  61           HA       LYS  61   3.537   6.026 -15.117
  435   1HB   LYS  61          2HB       LYS  61   5.663   5.575 -16.028
  436   2HB   LYS  61          3HB       LYS  61   5.964   6.526 -14.588
  437   1HG   LYS  61          2HG       LYS  61   6.243   4.254 -13.348
  438   2HG   LYS  61          3HG       LYS  61   6.309   3.520 -14.938
  439   1HD   LYS  61          2HD       LYS  61   8.327   4.623 -15.514
  440   2HD   LYS  61          3HD       LYS  61   8.096   5.889 -14.327
  441   1HE   LYS  61          2HE       LYS  61   8.299   3.117 -13.217
  442   2HE   LYS  61          3HE       LYS  61   9.760   3.736 -13.961
  443   1HZ   LYS  61          1HZ       LYS  61   8.305   5.450 -12.118
  444   2HZ   LYS  61          2HZ       LYS  61   9.227   4.247 -11.508
  445   3HZ   LYS  61          3HZ       LYS  61   9.906   5.403 -12.441
  446    H    CYS  62           HN       CYS  62   2.118   4.250 -13.341
  447    HA   CYS  62           HA       CYS  62   1.370   2.174 -13.147
  448   1HB   CYS  62          2HB       CYS  62   0.253   2.871 -15.162
  449   2HB   CYS  62          3HB       CYS  62   1.625   2.409 -16.149
  450    H    GLY  63           HN       GLY  63   3.163   1.209 -12.000
  451   1HA   GLY  63          1HA       GLY  63   4.202  -1.109 -12.817
  452   2HA   GLY  63          2HA       GLY  63   5.324   0.024 -13.541
  453    H    GLY  64           HN       GLY  64   4.973   2.078 -11.377
  454   1HA   GLY  64          1HA       GLY  64   7.098   1.584  -9.777
  455   2HA   GLY  64          2HA       GLY  64   5.732   2.577  -9.308
  456    H    CYS  65           HN       CYS  65   3.724   0.408  -9.343
  457    HA   CYS  65           HA       CYS  65   4.471  -0.765  -6.800
  458   1HB   CYS  65          2HB       CYS  65   1.990   0.068  -8.079
  459   2HB   CYS  65          3HB       CYS  65   1.866  -1.543  -7.401
  460    H    HIS  66           HN       HIS  66   3.345  -1.623 -10.131
  461    HA   HIS  66           HA       HIS  66   3.877  -4.420  -9.532
  462   1HB   HIS  66          2HB       HIS  66   2.332  -2.978 -11.674
  463   2HB   HIS  66          3HB       HIS  66   2.861  -4.628 -11.930
  464    HD1  HIS  66           HD1      HIS  66   1.233  -6.369 -11.195
  465    HD2  HIS  66           HD2      HIS  66   0.767  -2.783  -9.070
  466    HE1  HIS  66           HE1      HIS  66  -0.778  -6.704  -9.659
  467    H    ILE  67           HN       ILE  67   6.041  -4.858  -9.685
  468    HA   ILE  67           HA       ILE  67   7.710  -3.461 -11.506
  469    HB   ILE  67           HB       ILE  67   8.110  -5.890  -9.764
  470   1HG1  ILE  67          2HG       ILE  67   9.660  -3.496  -9.172
  471   2HG1  ILE  67          3HG       ILE  67   7.938  -3.166  -9.150
  472   1HG2  ILE  67          1HG       ILE  67   9.595  -6.038 -11.707
  473   2HG2  ILE  67          2HG       ILE  67  10.185  -4.390 -11.386
  474   3HG2  ILE  67          3HG       ILE  67  10.501  -5.692 -10.214
  475   1HD1  ILE  67          1HD       ILE  67   8.290  -3.910  -6.958
  476   2HD1  ILE  67          2HD       ILE  67   7.802  -5.423  -7.759
  477   3HD1  ILE  67          3HD       ILE  67   9.524  -5.095  -7.450
  478    H    LYS  68           HN       LYS  68   7.087  -3.666 -13.643
  479    HA   LYS  68           HA       LYS  68   6.186  -6.092 -14.739
  480   1HB   LYS  68          2HB       LYS  68   5.844  -3.668 -15.551
  481   2HB   LYS  68          3HB       LYS  68   7.421  -3.819 -16.299
  482   1HG   LYS  68          2HG       LYS  68   6.246  -4.679 -18.068
  483   2HG   LYS  68          3HG       LYS  68   6.280  -6.165 -17.141
  484   1HD   LYS  68          2HD       LYS  68   4.078  -5.639 -16.141
  485   2HD   LYS  68          3HD       LYS  68   4.052  -4.084 -16.948
  486   1HE   LYS  68          2HE       LYS  68   4.078  -5.229 -19.170
  487   2HE   LYS  68          3HE       LYS  68   4.123  -6.788 -18.372
  488   1HZ   LYS  68          1HZ       LYS  68   1.990  -6.537 -17.627
  489   2HZ   LYS  68          2HZ       LYS  68   1.997  -4.906 -17.715
  490   3HZ   LYS  68          3HZ       LYS  68   1.891  -5.797 -19.080
  491    HHA  HEC  98           HGM      HEC  98  -4.165  -5.972   8.778
  492    HHB  HEC  98           HDM      HEC  98  -2.038  -2.972  13.823
  493    HHC  HEC  98           HAM      HEC  98   1.232   0.890  10.015
  494    HHD  HEC  98           HBM      HEC  98  -1.353  -1.930   5.099
  495   1HMA  HEC  98          1HM       HEC  98  -2.706  -6.443  14.064
  496   2HMA  HEC  98          2HM       HEC  98  -2.862  -4.741  14.560
  497   3HMA  HEC  98          3HM       HEC  98  -4.312  -5.680  14.136
  498   1HAA  HEC  98          1HA       HEC  98  -4.589  -7.389  12.180
  499   2HAA  HEC  98          2HA       HEC  98  -5.083  -6.912  10.538
  500   1HBA  HEC  98          3HB       HEC  98  -3.868  -8.801   9.919
  501   2HBA  HEC  98          4HB       HEC  98  -2.480  -7.695  10.055
  502   1HMB  HEC  98          1HM       HEC  98   0.090  -0.628  15.268
  503   2HMB  HEC  98          2HM       HEC  98  -1.454   0.168  14.885
  504   3HMB  HEC  98          3HM       HEC  98  -1.385  -1.602  15.057
  505    HAB  HEC  98           HT2      HEC  98   1.008   1.903  12.137
  506   1HBB  HEC  98          1HT       HEC  98   2.808   0.474  11.474
  507   2HBB  HEC  98          2HT       HEC  98   3.255   1.724  12.658
  508   3HBB  HEC  98          3HT       HEC  98   3.066   0.032  13.178
  509   1HMC  HEC  98          1HM       HEC  98   1.192   2.711   7.494
  510   2HMC  HEC  98          2HM       HEC  98   2.230   1.772   8.592
  511   3HMC  HEC  98          3HM       HEC  98   2.479   1.674   6.833
  512    HAC  HEC  98           HT4      HEC  98  -1.005   0.640   4.711
  513   1HBC  HEC  98          1HT       HEC  98   1.228   0.381   3.202
  514   2HBC  HEC  98          2HT       HEC  98   1.623  -0.767   4.503
  515   3HBC  HEC  98          3HT       HEC  98   0.133  -0.977   3.553
  516   1HMD  HEC  98          1HM       HEC  98  -3.893  -4.003   3.711
  517   2HMD  HEC  98          2HM       HEC  98  -2.633  -2.746   3.730
  518   3HMD  HEC  98          3HM       HEC  98  -2.176  -4.460   3.598
  519   1HAD  HEC  98          1HA       HEC  98  -4.265  -6.786   6.663
  520   2HAD  HEC  98          2HA       HEC  98  -4.842  -5.873   5.248
  521   1HBD  HEC  98          3HB       HEC  98  -3.649  -7.537   4.237
  522   2HBD  HEC  98          4HB       HEC  98  -2.396  -6.281   4.384
  523    HHA  HEC 128           HGM      HEC 128   8.083   3.226  -1.235
  524    HHB  HEC 128           HDM      HEC 128   3.809  -0.966  -3.003
  525    HHC  HEC 128           HAM      HEC 128  -0.306   1.699   1.006
  526    HHD  HEC 128           HBM      HEC 128   3.938   6.072   2.300
  527   1HMA  HEC 128          1HM       HEC 128   6.796  -0.927  -4.545
  528   2HMA  HEC 128          2HM       HEC 128   7.411  -1.794  -3.117
  529   3HMA  HEC 128          3HM       HEC 128   5.676  -1.847  -3.511
  530   1HAA  HEC 128          1HA       HEC 128   9.030   0.221  -3.205
  531   2HAA  HEC 128          2HA       HEC 128   8.994   1.956  -2.811
  532   1HBA  HEC 128          3HB       HEC 128   9.064   1.178  -0.298
  533   2HBA  HEC 128          4HB       HEC 128   9.573  -0.400  -0.943
  534   1HMB  HEC 128          1HM       HEC 128   1.051  -2.563  -2.573
  535   2HMB  HEC 128          2HM       HEC 128   0.274  -1.297  -3.552
  536   3HMB  HEC 128          3HM       HEC 128   2.027  -1.577  -3.688
  537    HAB  HEC 128           HT2      HEC 128  -1.432   0.394  -0.301
  538   1HBB  HEC 128          1HT       HEC 128  -1.546  -2.328   0.273
  539   2HBB  HEC 128          2HT       HEC 128  -0.068  -1.650   0.996
  540   3HBB  HEC 128          3HT       HEC 128  -1.648  -0.908   1.339
  541   1HMC  HEC 128          1HM       HEC 128  -0.911   3.302   3.622
  542   2HMC  HEC 128          2HM       HEC 128  -1.456   4.616   2.552
  543   3HMC  HEC 128          3HM       HEC 128  -1.452   2.937   1.966
  544    HAC  HEC 128           HT4      HEC 128   2.048   6.668   3.307
  545   1HBC  HEC 128          1HT       HEC 128  -0.528   7.074   4.145
  546   2HBC  HEC 128          2HT       HEC 128  -0.456   5.296   4.127
  547   3HBC  HEC 128          3HT       HEC 128   0.713   6.223   5.097
  548   1HMD  HEC 128          1HM       HEC 128   6.143   7.962   1.384
  549   2HMD  HEC 128          2HM       HEC 128   5.597   7.134   2.862
  550   3HMD  HEC 128          3HM       HEC 128   7.327   7.164   2.447
  551   1HAD  HEC 128          1HA       HEC 128   9.112   5.078  -0.265
  552   2HAD  HEC 128          2HA       HEC 128   8.728   6.536   0.681
  553   1HBD  HEC 128          3HB       HEC 128   8.813   5.117   2.741
  554   2HBD  HEC 128          4HB       HEC 128   9.418   3.788   1.723
  555    HHA  HEC 158           HGM      HEC 158  -3.550  -7.012  -7.444
  556    HHB  HEC 158           HDM      HEC 158  -2.523  -5.125 -13.306
  557    HHC  HEC 158           HAM      HEC 158  -0.528   0.446 -11.048
  558    HHD  HEC 158           HBM      HEC 158  -1.180  -1.776  -5.264
  559   1HMA  HEC 158          1HM       HEC 158  -4.374  -6.634 -13.376
  560   2HMA  HEC 158          2HM       HEC 158  -3.264  -7.977 -13.013
  561   3HMA  HEC 158          3HM       HEC 158  -4.941  -8.022 -12.418
  562   1HAA  HEC 158          1HA       HEC 158  -4.833  -8.104  -8.455
  563   2HAA  HEC 158          2HA       HEC 158  -5.641  -8.343 -10.022
  564   1HBA  HEC 158          3HB       HEC 158  -2.990  -9.215 -10.493
  565   2HBA  HEC 158          4HB       HEC 158  -3.351  -9.821  -8.860
  566   1HMB  HEC 158          1HM       HEC 158  -1.961  -4.135 -14.959
  567   2HMB  HEC 158          2HM       HEC 158  -1.532  -2.524 -15.583
  568   3HMB  HEC 158          3HM       HEC 158  -0.256  -3.626 -15.011
  569    HAB  HEC 158           HT2      HEC 158   0.405  -0.008 -13.465
  570   1HBB  HEC 158          1HT       HEC 158  -0.582   1.781 -12.950
  571   2HBB  HEC 158          2HT       HEC 158  -1.787   1.530 -14.234
  572   3HBB  HEC 158          3HT       HEC 158  -2.078   0.883 -12.602
  573   1HMC  HEC 158          1HM       HEC 158   0.828   1.769  -9.898
  574   2HMC  HEC 158          2HM       HEC 158  -0.661   2.535  -9.292
  575   3HMC  HEC 158          3HM       HEC 158   0.764   2.398  -8.235
  576    HAC  HEC 158           HT4      HEC 158   0.152  -0.083  -5.161
  577   1HBC  HEC 158          1HT       HEC 158  -0.003   2.188  -4.481
  578   2HBC  HEC 158          2HT       HEC 158   0.092   2.785  -6.156
  579   3HBC  HEC 158          3HT       HEC 158  -1.373   1.948  -5.591
  580   1HMD  HEC 158          1HM       HEC 158  -2.781  -3.803  -3.006
  581   2HMD  HEC 158          2HM       HEC 158  -1.075  -4.275  -3.187
  582   3HMD  HEC 158          3HM       HEC 158  -1.577  -2.603  -3.534
  583   1HAD  HEC 158          1HA       HEC 158  -3.841  -5.667  -3.687
  584   2HAD  HEC 158          2HA       HEC 158  -4.409  -6.558  -5.119
  585   1HBD  HEC 158          3HB       HEC 158  -1.624  -6.956  -4.073
  586   2HBD  HEC 158          4HB       HEC 158  -3.012  -7.789  -3.335
  Start of MODEL   15
    1    H    ALA   1           HN       ALA   1   4.023  -4.198  12.385
    2    HA   ALA   1           HA       ALA   1   5.132  -6.118  12.460
    3   1HB   ALA   1          1HB       ALA   1   3.204  -6.704  10.995
    4   2HB   ALA   1          2HB       ALA   1   4.202  -6.335   9.568
    5   3HB   ALA   1          3HB       ALA   1   4.648  -7.684  10.640
    6    H    ASP   2           HN       ASP   2   5.759  -5.204   8.999
    7    HA   ASP   2           HA       ASP   2   8.231  -4.183   9.311
    8   1HB   ASP   2          2HB       ASP   2   9.148  -6.156  10.279
    9   2HB   ASP   2          3HB       ASP   2   8.230  -7.213   9.225
   10    H    VAL   3           HN       VAL   3   6.557  -6.861   7.493
   11    HA   VAL   3           HA       VAL   3   6.297  -5.255   5.170
   12    HB   VAL   3           HB       VAL   3   8.685  -5.819   5.019
   13   1HG1  VAL   3          1HG       VAL   3   8.585  -7.982   6.231
   14   2HG1  VAL   3          2HG       VAL   3   7.762  -8.707   4.829
   15   3HG1  VAL   3          3HG       VAL   3   9.431  -8.108   4.670
   16   1HG2  VAL   3          1HG       VAL   3   6.861  -5.827   3.030
   17   2HG2  VAL   3          2HG       VAL   3   8.604  -6.069   2.761
   18   3HG2  VAL   3          3HG       VAL   3   7.513  -7.472   2.842
   19    H    VAL   4           HN       VAL   4   4.818  -6.202   3.676
   20    HA   VAL   4           HA       VAL   4   3.840  -8.856   4.411
   21    HB   VAL   4           HB       VAL   4   2.225  -6.313   4.226
   22   1HG1  VAL   4          1HG       VAL   4   0.579  -7.498   3.282
   23   2HG1  VAL   4          2HG       VAL   4   1.464  -9.029   3.489
   24   3HG1  VAL   4          3HG       VAL   4   0.462  -8.393   4.817
   25   1HG2  VAL   4          1HG       VAL   4   1.708  -6.612   6.459
   26   2HG2  VAL   4          2HG       VAL   4   2.014  -8.364   6.410
   27   3HG2  VAL   4          3HG       VAL   4   3.379  -7.222   6.409
   28    H    THR   5           HN       THR   5   5.407  -9.011   2.423
   29    HA   THR   5           HA       THR   5   4.577  -7.989  -0.054
   30    HB   THR   5           HB       THR   5   6.300 -10.365   0.810
   31    HG1  THR   5           HG1      THR   5   7.879  -8.653   0.006
   32   1HG2  THR   5          1HG       THR   5   6.107  -9.016  -1.935
   33   2HG2  THR   5          2HG       THR   5   7.240 -10.308  -1.474
   34   3HG2  THR   5          3HG       THR   5   5.496 -10.649  -1.577
   35    H    TYR   6           HN       TYR   6   3.617  -9.069  -1.885
   36    HA   TYR   6           HA       TYR   6   1.905 -11.326  -1.123
   37   1HB   TYR   6          2HB       TYR   6   1.310  -8.528  -2.065
   38   2HB   TYR   6          3HB       TYR   6   0.437  -9.772  -2.939
   39    HD1  TYR   6           HD1      TYR   6   1.319  -9.146   0.666
   40    HD2  TYR   6           HD2      TYR   6  -1.725 -10.089  -2.188
   41    HE1  TYR   6           HE1      TYR   6  -0.406  -9.256   2.530
   42    HE2  TYR   6           HE2      TYR   6  -3.440 -10.195  -0.313
   43    HH   TYR   6           HH       TYR   6  -2.624 -10.460   2.860
   44    H    GLU   7           HN       GLU   7   0.867 -12.327  -3.170
   45    HA   GLU   7           HA       GLU   7   2.811 -12.130  -5.338
   46   1HB   GLU   7          2HB       GLU   7   1.472 -14.601  -4.168
   47   2HB   GLU   7          3HB       GLU   7   2.262 -14.614  -5.731
   48   1HG   GLU   7          2HG       GLU   7   4.077 -13.350  -3.901
   49   2HG   GLU   7          3HG       GLU   7   3.462 -14.778  -3.094
   50    H    ASN   8           HN       ASN   8   1.915 -11.449  -7.233
   51    HA   ASN   8           HA       ASN   8  -0.972 -11.724  -7.447
   52   1HB   ASN   8          2HB       ASN   8   1.063  -9.775  -8.573
   53   2HB   ASN   8          3HB       ASN   8  -0.440 -10.010  -9.442
   54   1HD2  ASN   8          1HD       ASN   8   0.810  -7.807  -7.751
   55   2HD2  ASN   8          2HD       ASN   8  -0.440  -7.311  -6.658
   56    H    LYS   9           HN       LYS   9  -1.511 -11.683 -10.090
   57    HA   LYS   9           HA       LYS   9  -0.271 -14.102 -11.056
   58   1HB   LYS   9          2HB       LYS   9  -2.811 -12.805 -11.315
   59   2HB   LYS   9          3HB       LYS   9  -2.136 -13.004 -12.920
   60   1HG   LYS   9          2HG       LYS   9  -1.734 -15.419 -12.477
   61   2HG   LYS   9          3HG       LYS   9  -2.341 -15.236 -10.843
   62   1HD   LYS   9          2HD       LYS   9  -4.256 -14.173 -12.796
   63   2HD   LYS   9          3HD       LYS   9  -3.854 -15.839 -13.158
   64   1HE   LYS   9          2HE       LYS   9  -5.658 -16.050 -11.642
   65   2HE   LYS   9          3HE       LYS   9  -4.257 -16.299 -10.618
   66   1HZ   LYS   9          1HZ       LYS   9  -6.130 -14.163 -10.604
   67   2HZ   LYS   9          2HZ       LYS   9  -5.120 -14.666  -9.424
   68   3HZ   LYS   9          3HZ       LYS   9  -4.586 -13.635 -10.570
   69    H    LYS  10           HN       LYS  10  -0.459 -10.606 -11.881
   70    HA   LYS  10           HA       LYS  10   1.484 -11.108 -14.015
   71   1HB   LYS  10          2HB       LYS  10  -0.421  -8.808 -13.505
   72   2HB   LYS  10          3HB       LYS  10   0.841  -8.764 -14.721
   73   1HG   LYS  10          2HG       LYS  10  -0.420 -11.240 -15.172
   74   2HG   LYS  10          3HG       LYS  10  -1.749 -10.172 -14.766
   75   1HD   LYS  10          2HD       LYS  10  -1.627  -9.695 -17.024
   76   2HD   LYS  10          3HD       LYS  10  -0.459  -8.515 -16.461
   77   1HE   LYS  10          2HE       LYS  10   1.268  -9.576 -17.505
   78   2HE   LYS  10          3HE       LYS  10   0.806 -11.136 -16.856
   79   1HZ   LYS  10          1HZ       LYS  10  -0.333  -9.825 -19.224
   80   2HZ   LYS  10          2HZ       LYS  10   0.575 -11.182 -19.192
   81   3HZ   LYS  10          3HZ       LYS  10  -0.937 -11.196 -18.573
   82    H    GLY  11           HN       GLY  11   2.649 -11.493 -11.626
   83   1HA   GLY  11          1HA       GLY  11   4.843 -10.489 -11.182
   84   2HA   GLY  11          2HA       GLY  11   4.041  -8.933 -11.097
   85    H    ASN  12           HN       ASN  12   4.813  -8.620  -8.906
   86    HA   ASN  12           HA       ASN  12   3.046  -9.872  -7.022
   87   1HB   ASN  12          2HB       ASN  12   6.091  -9.938  -6.672
   88   2HB   ASN  12          3HB       ASN  12   4.931 -10.448  -5.460
   89   1HD2  ASN  12          1HD       ASN  12   7.026 -11.575  -7.606
   90   2HD2  ASN  12          2HD       ASN  12   6.300 -13.071  -8.092
   91    H    VAL  13           HN       VAL  13   2.472  -8.322  -5.445
   92    HA   VAL  13           HA       VAL  13   3.926  -5.788  -5.582
   93    HB   VAL  13           HB       VAL  13   1.581  -5.667  -6.093
   94   1HG1  VAL  13          1HG       VAL  13   0.683  -7.625  -5.072
   95   2HG1  VAL  13          2HG       VAL  13   1.187  -7.095  -3.449
   96   3HG1  VAL  13          3HG       VAL  13  -0.118  -6.235  -4.301
   97   1HG2  VAL  13          1HG       VAL  13   2.793  -3.947  -4.544
   98   2HG2  VAL  13          2HG       VAL  13   1.027  -3.855  -4.750
   99   3HG2  VAL  13          3HG       VAL  13   1.717  -4.594  -3.285
  100    H    THR  14           HN       THR  14   5.205  -5.129  -3.923
  101    HA   THR  14           HA       THR  14   5.134  -6.779  -1.494
  102    HB   THR  14           HB       THR  14   7.262  -5.013  -2.807
  103    HG1  THR  14           HG1      THR  14   8.219  -7.224  -2.891
  104   1HG2  THR  14          1HG       THR  14   7.054  -6.177  -0.051
  105   2HG2  THR  14          2HG       THR  14   8.572  -6.511  -0.920
  106   3HG2  THR  14          3HG       THR  14   8.060  -4.830  -0.634
  107    H    PHE  15           HN       PHE  15   4.617  -5.977   0.472
  108    HA   PHE  15           HA       PHE  15   3.717  -3.205   0.471
  109   1HB   PHE  15          2HB       PHE  15   3.343  -5.680   2.249
  110   2HB   PHE  15          3HB       PHE  15   2.750  -4.108   2.745
  111    HD1  PHE  15           HD1      PHE  15   0.500  -3.796   2.424
  112    HD2  PHE  15           HD2      PHE  15   2.626  -6.184  -0.367
  113    HE1  PHE  15           HE1      PHE  15  -1.623  -4.194   1.146
  114    HE2  PHE  15           HE2      PHE  15   0.502  -6.580  -1.645
  115    HZ   PHE  15           HZ       PHE  15  -1.597  -5.581  -0.873
  116    H    ASP  16           HN       ASP  16   3.875  -2.347   2.997
  117    HA   ASP  16           HA       ASP  16   6.424  -2.998   4.106
  118   1HB   ASP  16          2HB       ASP  16   5.839  -0.173   3.096
  119   2HB   ASP  16          3HB       ASP  16   7.244  -0.634   4.038
  120    H    HIS  17           HN       HIS  17   5.772  -3.191   6.257
  121    HA   HIS  17           HA       HIS  17   3.628  -1.473   7.185
  122   1HB   HIS  17          2HB       HIS  17   4.276  -4.153   7.596
  123   2HB   HIS  17          3HB       HIS  17   4.726  -3.383   9.105
  124    HD1  HIS  17           HD1      HIS  17   2.829  -3.999  10.638
  125    HD2  HIS  17           HD2      HIS  17   1.488  -2.527   6.946
  126    HE1  HIS  17           HE1      HIS  17   0.294  -3.785  10.832
  127    H    LYS  18           HN       LYS  18   7.028  -2.407   8.024
  128    HA   LYS  18           HA       LYS  18   7.137  -0.266   9.962
  129   1HB   LYS  18          2HB       LYS  18   8.146  -2.509  10.378
  130   2HB   LYS  18          3HB       LYS  18   9.282  -2.217   9.077
  131   1HG   LYS  18          2HG       LYS  18  10.618  -1.263  10.656
  132   2HG   LYS  18          3HG       LYS  18   9.532   0.110  10.582
  133   1HD   LYS  18          2HD       LYS  18   8.685  -2.174  12.339
  134   2HD   LYS  18          3HD       LYS  18  10.059  -1.235  12.887
  135   1HE   LYS  18          2HE       LYS  18   8.780   0.818  12.906
  136   2HE   LYS  18          3HE       LYS  18   7.468   0.099  11.993
  137   1HZ   LYS  18          1HZ       LYS  18   7.294  -1.476  13.949
  138   2HZ   LYS  18          2HZ       LYS  18   8.216  -0.409  14.772
  139   3HZ   LYS  18          3HZ       LYS  18   6.768   0.053  14.174
  140    H    ALA  19           HN       ALA  19   8.532  -1.138   6.749
  141    HA   ALA  19           HA       ALA  19  10.264   0.975   6.471
  142   1HB   ALA  19          1HB       ALA  19   9.068  -1.073   4.854
  143   2HB   ALA  19          2HB       ALA  19   8.997   0.462   3.957
  144   3HB   ALA  19          3HB       ALA  19  10.559  -0.150   4.552
  145    H    HIS  20           HN       HIS  20   6.722   0.882   6.371
  146    HA   HIS  20           HA       HIS  20   6.660   3.591   5.321
  147   1HB   HIS  20          2HB       HIS  20   4.569   1.470   5.801
  148   2HB   HIS  20          3HB       HIS  20   4.121   3.138   5.502
  149    HD1  HIS  20           HD1      HIS  20   7.132   2.116   3.619
  150    HD2  HIS  20           HD2      HIS  20   2.977   2.040   3.046
  151    HE1  HIS  20           HE1      HIS  20   6.761   1.723   1.125
  152    H    ALA  21           HN       ALA  21   5.341   1.711   8.142
  153    HA   ALA  21           HA       ALA  21   4.305   3.688   9.624
  154   1HB   ALA  21          1HB       ALA  21   4.223   1.418  10.375
  155   2HB   ALA  21          2HB       ALA  21   5.999   1.303  10.446
  156   3HB   ALA  21          3HB       ALA  21   5.125   2.318  11.618
  157    H    GLU  22           HN       GLU  22   7.819   2.780   9.511
  158    HA   GLU  22           HA       GLU  22   8.859   4.389  11.316
  159   1HB   GLU  22          2HB       GLU  22  10.862   4.613   9.831
  160   2HB   GLU  22          3HB       GLU  22  10.235   2.977   9.885
  161   1HG   GLU  22          2HG       GLU  22   9.663   2.989   7.669
  162   2HG   GLU  22          3HG       GLU  22   8.985   4.602   7.753
  163    H    LYS  23           HN       LYS  23   7.283   5.419   8.307
  164    HA   LYS  23           HA       LYS  23   8.056   8.186   8.871
  165   1HB   LYS  23          2HB       LYS  23   7.463   6.643   6.421
  166   2HB   LYS  23          3HB       LYS  23   6.755   8.245   6.465
  167   1HG   LYS  23          2HG       LYS  23   9.673   7.802   7.199
  168   2HG   LYS  23          3HG       LYS  23   9.181   7.996   5.529
  169   1HD   LYS  23          2HD       LYS  23   7.920  10.151   6.424
  170   2HD   LYS  23          3HD       LYS  23   9.002  10.002   7.795
  171   1HE   LYS  23          2HE       LYS  23  10.675  10.959   6.601
  172   2HE   LYS  23          3HE       LYS  23  10.596   9.663   5.424
  173   1HZ   LYS  23          1HZ       LYS  23   9.384  12.277   5.332
  174   2HZ   LYS  23          2HZ       LYS  23  10.016  11.379   4.123
  175   3HZ   LYS  23          3HZ       LYS  23   8.514  11.059   4.681
  176    H    LEU  24           HN       LEU  24   5.183   6.139   8.011
  177    HA   LEU  24           HA       LEU  24   3.333   8.176   8.587
  178   1HB   LEU  24          2HB       LEU  24   3.048   5.174   8.417
  179   2HB   LEU  24          3HB       LEU  24   1.702   6.284   8.582
  180    HG   LEU  24           HG       LEU  24   2.460   7.379   6.427
  181   1HD1  LEU  24          1HD       LEU  24   4.323   5.000   6.422
  182   2HD1  LEU  24          2HD       LEU  24   3.849   5.862   4.938
  183   3HD1  LEU  24          3HD       LEU  24   4.719   6.725   6.229
  184   1HD2  LEU  24          1HD       LEU  24   0.904   5.085   6.897
  185   2HD2  LEU  24          2HD       LEU  24   0.839   6.183   5.498
  186   3HD2  LEU  24          3HD       LEU  24   1.870   4.732   5.444
  187    H    GLY  25           HN       GLY  25   2.736   5.202  10.343
  188   1HA   GLY  25          1HA       GLY  25   3.589   5.068  12.706
  189   2HA   GLY  25          2HA       GLY  25   3.010   6.715  12.868
  190    H    CYS  26           HN       CYS  26   1.526   3.933  11.081
  191    HA   CYS  26           HA       CYS  26  -0.502   3.087  11.156
  192   1HB   CYS  26          2HB       CYS  26  -1.105   3.177  13.953
  193   2HB   CYS  26          3HB       CYS  26  -0.692   1.805  12.944
  194    H    ASP  27           HN       ASP  27  -1.949   4.508  10.187
  195    HA   ASP  27           HA       ASP  27  -3.909   5.691  11.543
  196   1HB   ASP  27          2HB       ASP  27  -1.505   7.248  11.867
  197   2HB   ASP  27          3HB       ASP  27  -2.582   8.165  10.834
  198    H    ALA  28           HN       ALA  28  -1.533   5.834   8.900
  199    HA   ALA  28           HA       ALA  28  -3.180   7.320   7.109
  200   1HB   ALA  28          1HB       ALA  28  -0.493   6.461   7.278
  201   2HB   ALA  28          2HB       ALA  28  -1.162   5.668   5.832
  202   3HB   ALA  28          3HB       ALA  28  -1.234   7.439   5.988
  203    H    CYS  29           HN       CYS  29  -2.843   3.948   8.105
  204    HA   CYS  29           HA       CYS  29  -4.658   3.210   5.926
  205   1HB   CYS  29          2HB       CYS  29  -2.989   1.262   7.503
  206   2HB   CYS  29          3HB       CYS  29  -3.814   1.011   5.977
  207    H    HIS  30           HN       HIS  30  -3.778   2.739   9.415
  208    HA   HIS  30           HA       HIS  30  -6.496   1.792   9.886
  209   1HB   HIS  30          2HB       HIS  30  -4.258   1.792  11.904
  210   2HB   HIS  30          3HB       HIS  30  -5.707   0.808  11.874
  211    HD1  HIS  30           HD1      HIS  30  -5.743  -1.251  10.226
  212    HD2  HIS  30           HD2      HIS  30  -2.104   0.830  10.371
  213    HE1  HIS  30           HE1      HIS  30  -4.014  -2.753   9.100
  214    H    GLU  31           HN       GLU  31  -7.169   2.526  12.347
  215    HA   GLU  31           HA       GLU  31  -6.418   4.911  13.344
  216   1HB   GLU  31          2HB       GLU  31  -8.315   6.422  12.441
  217   2HB   GLU  31          3HB       GLU  31  -6.925   6.169  11.405
  218   1HG   GLU  31          2HG       GLU  31  -8.199   4.279  10.268
  219   2HG   GLU  31          3HG       GLU  31  -9.603   4.713  11.224
  220    H    GLY  32           HN       GLY  32  -7.007   3.243  15.007
  221   1HA   GLY  32          1HA       GLY  32  -8.787   3.604  16.749
  222   2HA   GLY  32          2HA       GLY  32  -9.921   3.147  15.494
  223    H    THR  33           HN       THR  33  -8.646   1.042  14.172
  224    HA   THR  33           HA       THR  33  -7.774  -0.855  16.190
  225    HB   THR  33           HB       THR  33 -10.371  -1.105  14.589
  226    HG1  THR  33           HG1      THR  33 -10.575  -0.025  16.622
  227   1HG2  THR  33          1HG       THR  33 -10.188  -3.374  14.767
  228   2HG2  THR  33          2HG       THR  33  -8.561  -3.191  15.464
  229   3HG2  THR  33          3HG       THR  33  -9.987  -3.201  16.527
  230    HA   PRO  34           HA       PRO  34  -5.440  -1.583  12.558
  231   1HB   PRO  34          2HB       PRO  34  -3.295  -2.727  13.805
  232   2HB   PRO  34          3HB       PRO  34  -3.445  -1.000  13.548
  233   1HG   PRO  34          2HG       PRO  34  -3.801  -2.540  16.047
  234   2HG   PRO  34          3HG       PRO  34  -3.526  -0.821  15.847
  235   1HD   PRO  34          2HD       PRO  34  -6.019  -2.102  16.458
  236   2HD   PRO  34          3HD       PRO  34  -5.767  -0.396  16.144
  237    H    ALA  35           HN       ALA  35  -7.043  -2.999  11.722
  238    HA   ALA  35           HA       ALA  35  -6.461  -5.779  12.481
  239   1HB   ALA  35          1HB       ALA  35  -8.975  -4.836  11.089
  240   2HB   ALA  35          2HB       ALA  35  -8.720  -6.287  12.088
  241   3HB   ALA  35          3HB       ALA  35  -8.801  -4.683  12.854
  242    H    LYS  36           HN       LYS  36  -7.288  -7.246  10.428
  243    HA   LYS  36           HA       LYS  36  -5.374  -6.662   8.419
  244   1HB   LYS  36          2HB       LYS  36  -6.076  -8.756   7.442
  245   2HB   LYS  36          3HB       LYS  36  -5.910  -8.945   9.176
  246   1HG   LYS  36          2HG       LYS  36  -8.048  -9.683   9.281
  247   2HG   LYS  36          3HG       LYS  36  -8.601  -8.106   8.755
  248   1HD   LYS  36          2HD       LYS  36  -7.618  -9.448   6.419
  249   2HD   LYS  36          3HD       LYS  36  -8.602 -10.611   7.286
  250   1HE   LYS  36          2HE       LYS  36  -9.922  -8.008   7.295
  251   2HE   LYS  36          3HE       LYS  36  -9.504  -8.451   5.652
  252   1HZ   LYS  36          1HZ       LYS  36 -11.506  -9.518   7.281
  253   2HZ   LYS  36          2HZ       LYS  36 -11.212  -9.815   5.702
  254   3HZ   LYS  36          3HZ       LYS  36 -10.485 -10.719   6.852
  255    H    ILE  37           HN       ILE  37  -5.617  -5.144   6.876
  256    HA   ILE  37           HA       ILE  37  -8.224  -4.163   6.236
  257    HB   ILE  37           HB       ILE  37  -5.496  -3.562   5.087
  258   1HG1  ILE  37          2HG       ILE  37  -7.084  -1.835   6.984
  259   2HG1  ILE  37          3HG       ILE  37  -6.008  -3.084   7.577
  260   1HG2  ILE  37          1HG       ILE  37  -8.193  -2.277   4.631
  261   2HG2  ILE  37          2HG       ILE  37  -6.651  -1.450   4.301
  262   3HG2  ILE  37          3HG       ILE  37  -7.064  -2.945   3.428
  263   1HD1  ILE  37          1HD       ILE  37  -5.214  -0.521   7.000
  264   2HD1  ILE  37          2HD       ILE  37  -4.119  -1.924   6.995
  265   3HD1  ILE  37          3HD       ILE  37  -4.827  -1.343   5.469
  266    H    ALA  38           HN       ALA  38  -9.045  -4.050   3.956
  267    HA   ALA  38           HA       ALA  38  -8.596  -6.650   2.695
  268   1HB   ALA  38          1HB       ALA  38 -10.853  -4.622   2.651
  269   2HB   ALA  38          2HB       ALA  38 -10.765  -5.974   1.497
  270   3HB   ALA  38          3HB       ALA  38 -10.886  -6.300   3.242
  271    H    ILE  39           HN       ILE  39  -6.681  -6.273   1.519
  272    HA   ILE  39           HA       ILE  39  -6.815  -4.057  -0.395
  273    HB   ILE  39           HB       ILE  39  -4.575  -5.532   0.936
  274   1HG1  ILE  39          2HG       ILE  39  -5.516  -3.442   1.912
  275   2HG1  ILE  39          3HG       ILE  39  -3.811  -3.344   1.521
  276   1HG2  ILE  39          1HG       ILE  39  -3.595  -5.720  -1.096
  277   2HG2  ILE  39          2HG       ILE  39  -4.583  -4.429  -1.822
  278   3HG2  ILE  39          3HG       ILE  39  -3.193  -4.012  -0.791
  279   1HD1  ILE  39          1HD       ILE  39  -4.484  -2.285  -0.714
  280   2HD1  ILE  39          2HD       ILE  39  -6.139  -2.185  -0.067
  281   3HD1  ILE  39          3HD       ILE  39  -4.817  -1.301   0.731
  282    H    ASP  40           HN       ASP  40  -6.923  -4.440  -2.573
  283    HA   ASP  40           HA       ASP  40  -5.980  -6.652  -3.838
  284   1HB   ASP  40          2HB       ASP  40  -8.178  -7.437  -2.352
  285   2HB   ASP  40          3HB       ASP  40  -8.938  -7.030  -3.877
  286    H    LYS  41           HN       LYS  41  -6.931  -6.759  -6.176
  287    HA   LYS  41           HA       LYS  41  -6.929  -4.474  -7.471
  288   1HB   LYS  41          2HB       LYS  41  -7.188  -6.794  -8.418
  289   2HB   LYS  41          3HB       LYS  41  -8.913  -6.665  -8.139
  290   1HG   LYS  41          2HG       LYS  41  -7.964  -4.263  -9.491
  291   2HG   LYS  41          3HG       LYS  41  -7.434  -5.680 -10.375
  292   1HD   LYS  41          2HD       LYS  41 -10.118  -6.242  -9.644
  293   2HD   LYS  41          3HD       LYS  41 -10.128  -4.558 -10.129
  294   1HE   LYS  41          2HE       LYS  41  -8.548  -6.336 -11.924
  295   2HE   LYS  41          3HE       LYS  41 -10.261  -6.701 -11.877
  296   1HZ   LYS  41          1HZ       LYS  41  -9.160  -4.771 -13.345
  297   2HZ   LYS  41          2HZ       LYS  41 -10.735  -4.813 -12.916
  298   3HZ   LYS  41          3HZ       LYS  41  -9.679  -3.911 -12.057
  299    H    LYS  42           HN       LYS  42  -8.138  -2.642  -7.808
  300    HA   LYS  42           HA       LYS  42  -9.994  -1.354  -7.835
  301   1HB   LYS  42          2HB       LYS  42 -11.311  -3.604  -7.710
  302   2HB   LYS  42          3HB       LYS  42 -11.497  -3.218  -6.011
  303   1HG   LYS  42          2HG       LYS  42 -12.529  -1.043  -6.575
  304   2HG   LYS  42          3HG       LYS  42 -12.244  -1.317  -8.282
  305   1HD   LYS  42          2HD       LYS  42 -13.720  -3.347  -8.190
  306   2HD   LYS  42          3HD       LYS  42 -14.023  -3.040  -6.491
  307   1HE   LYS  42          2HE       LYS  42 -14.520  -0.607  -8.016
  308   2HE   LYS  42          3HE       LYS  42 -15.408  -1.935  -8.736
  309   1HZ   LYS  42          1HZ       LYS  42 -16.295  -2.435  -6.550
  310   2HZ   LYS  42          2HZ       LYS  42 -15.488  -1.174  -5.898
  311   3HZ   LYS  42          3HZ       LYS  42 -16.667  -0.909  -6.996
  312    H    SER  43           HN       SER  43  -9.946  -2.999  -4.591
  313    HA   SER  43           HA       SER  43 -10.230  -0.669  -3.180
  314   1HB   SER  43          2HB       SER  43  -9.823  -3.438  -2.628
  315   2HB   SER  43          3HB       SER  43  -8.607  -2.579  -1.704
  316    HG   SER  43           HG       SER  43 -11.196  -1.447  -1.623
  317    H    ALA  44           HN       ALA  44  -7.173  -2.632  -3.509
  318    HA   ALA  44           HA       ALA  44  -5.487  -0.712  -2.462
  319   1HB   ALA  44          1HB       ALA  44  -5.324  -3.257  -3.852
  320   2HB   ALA  44          2HB       ALA  44  -4.040  -2.159  -4.411
  321   3HB   ALA  44          3HB       ALA  44  -4.194  -2.539  -2.679
  322    H    HIS  45           HN       HIS  45  -7.240  -0.751  -5.458
  323    HA   HIS  45           HA       HIS  45  -5.386   1.129  -6.672
  324   1HB   HIS  45          2HB       HIS  45  -7.673  -0.544  -7.656
  325   2HB   HIS  45          3HB       HIS  45  -7.232   0.898  -8.548
  326    HD1  HIS  45           HD1      HIS  45  -6.221  -0.245 -10.591
  327    HD2  HIS  45           HD2      HIS  45  -4.513  -1.517  -6.977
  328    HE1  HIS  45           HE1      HIS  45  -4.190  -1.658 -11.218
  329    H    LYS  46           HN       LYS  46  -7.522   1.388  -4.284
  330    HA   LYS  46           HA       LYS  46  -8.633   3.897  -5.333
  331   1HB   LYS  46          2HB       LYS  46 -10.122   1.728  -4.628
  332   2HB   LYS  46          3HB       LYS  46 -10.045   2.569  -3.093
  333   1HG   LYS  46          2HG       LYS  46 -10.843   4.666  -4.192
  334   2HG   LYS  46          3HG       LYS  46 -10.905   3.839  -5.736
  335   1HD   LYS  46          2HD       LYS  46 -13.102   3.499  -5.131
  336   2HD   LYS  46          3HD       LYS  46 -12.425   2.109  -4.306
  337   1HE   LYS  46          2HE       LYS  46 -12.243   3.424  -2.199
  338   2HE   LYS  46          3HE       LYS  46 -12.858   4.847  -3.015
  339   1HZ   LYS  46          1HZ       LYS  46 -14.927   4.043  -2.980
  340   2HZ   LYS  46          2HZ       LYS  46 -14.488   2.494  -3.258
  341   3HZ   LYS  46          3HZ       LYS  46 -14.386   3.113  -1.750
  342    H    ASP  47           HN       ASP  47  -9.644   4.412  -2.507
  343    HA   ASP  47           HA       ASP  47  -7.858   6.135  -1.652
  344   1HB   ASP  47          2HB       ASP  47 -10.056   4.693  -0.496
  345   2HB   ASP  47          3HB       ASP  47  -8.774   4.695   0.699
  346    H    ALA  48           HN       ALA  48  -7.882   2.579  -0.964
  347    HA   ALA  48           HA       ALA  48  -6.067   2.166   0.890
  348   1HB   ALA  48          1HB       ALA  48  -6.441   0.867  -1.812
  349   2HB   ALA  48          2HB       ALA  48  -5.198   0.268  -0.688
  350   3HB   ALA  48          3HB       ALA  48  -6.910   0.270  -0.202
  351    H    CYS  49           HN       CYS  49  -4.845   2.257  -2.524
  352    HA   CYS  49           HA       CYS  49  -2.446   3.539  -1.445
  353   1HB   CYS  49          2HB       CYS  49  -2.847   1.807  -3.888
  354   2HB   CYS  49          3HB       CYS  49  -1.378   2.710  -3.574
  355    H    LYS  50           HN       LYS  50  -2.988   3.426  -4.908
  356    HA   LYS  50           HA       LYS  50  -2.992   5.138  -6.353
  357   1HB   LYS  50          2HB       LYS  50  -5.565   4.847  -5.030
  358   2HB   LYS  50          3HB       LYS  50  -5.353   6.476  -5.639
  359   1HG   LYS  50          2HG       LYS  50  -4.745   4.024  -7.344
  360   2HG   LYS  50          3HG       LYS  50  -6.347   4.733  -7.275
  361   1HD   LYS  50          2HD       LYS  50  -4.265   6.771  -7.724
  362   2HD   LYS  50          3HD       LYS  50  -4.241   5.532  -8.962
  363   1HE   LYS  50          2HE       LYS  50  -6.891   5.901  -8.946
  364   2HE   LYS  50          3HE       LYS  50  -6.467   7.448  -8.240
  365   1HZ   LYS  50          1HZ       LYS  50  -4.755   7.292 -10.265
  366   2HZ   LYS  50          2HZ       LYS  50  -6.033   6.497 -10.901
  367   3HZ   LYS  50          3HZ       LYS  50  -6.211   8.026 -10.356
  368    H    THR  51           HN       THR  51  -4.715   7.117  -3.930
  369    HA   THR  51           HA       THR  51  -3.388   9.419  -4.309
  370    HB   THR  51           HB       THR  51  -5.388   8.823  -2.765
  371    HG1  THR  51           HG1      THR  51  -3.134  10.474  -1.858
  372   1HG2  THR  51          1HG       THR  51  -4.123   7.197  -1.289
  373   2HG2  THR  51          2HG       THR  51  -3.082   8.544  -0.767
  374   3HG2  THR  51          3HG       THR  51  -4.818   8.558  -0.376
  375    H    CYS  52           HN       CYS  52  -2.356   6.882  -1.935
  376    HA   CYS  52           HA       CYS  52  -0.136   8.194  -1.021
  377   1HB   CYS  52          2HB       CYS  52  -1.270   5.628  -0.778
  378   2HB   CYS  52          3HB       CYS  52   0.389   5.366  -1.280
  379    H    HIS  53           HN       HIS  53   2.239   7.526  -1.535
  380    HA   HIS  53           HA       HIS  53   3.926   7.310  -2.929
  381   1HB   HIS  53          2HB       HIS  53   1.933   6.185  -4.918
  382   2HB   HIS  53          3HB       HIS  53   3.677   6.131  -5.080
  383    HD1  HIS  53           HD1      HIS  53   1.050   3.970  -4.210
  384    HD2  HIS  53           HD2      HIS  53   4.758   4.811  -2.441
  385    HE1  HIS  53           HE1      HIS  53   1.600   1.973  -2.722
  386    H    LYS  54           HN       LYS  54   1.027   8.335  -4.877
  387    HA   LYS  54           HA       LYS  54   2.484  10.145  -6.443
  388   1HB   LYS  54          2HB       LYS  54  -0.446   9.738  -5.853
  389   2HB   LYS  54          3HB       LYS  54   0.096  11.079  -6.843
  390   1HG   LYS  54          2HG       LYS  54   1.452   9.275  -8.182
  391   2HG   LYS  54          3HG       LYS  54   0.431   8.104  -7.371
  392   1HD   LYS  54          2HD       LYS  54  -1.604   9.261  -8.248
  393   2HD   LYS  54          3HD       LYS  54  -0.589  10.444  -9.051
  394   1HE   LYS  54          2HE       LYS  54   0.547   8.314 -10.162
  395   2HE   LYS  54          3HE       LYS  54  -0.934   7.503  -9.695
  396   1HZ   LYS  54          1HZ       LYS  54  -2.155   9.217 -10.883
  397   2HZ   LYS  54          2HZ       LYS  54  -0.760   9.925 -11.351
  398   3HZ   LYS  54          3HZ       LYS  54  -1.131   8.424 -11.876
  399    H    SER  55           HN       SER  55   3.850  11.169  -4.774
  400    HA   SER  55           HA       SER  55   2.983  13.694  -4.201
  401   1HB   SER  55          2HB       SER  55   1.874  11.871  -2.347
  402   2HB   SER  55          3HB       SER  55   3.217  12.604  -1.491
  403    HG   SER  55           HG       SER  55   1.676  14.096  -1.116
  404    H    ASN  56           HN       ASN  56   4.870  10.942  -2.766
  405    HA   ASN  56           HA       ASN  56   7.083  12.769  -2.404
  406   1HB   ASN  56          2HB       ASN  56   6.590   9.889  -1.496
  407   2HB   ASN  56          3HB       ASN  56   8.112  10.714  -1.228
  408   1HD2  ASN  56          1HD       ASN  56   8.340  12.100   0.406
  409   2HD2  ASN  56          2HD       ASN  56   7.098  12.572   1.517
  410    H    ASN  57           HN       ASN  57   6.812   9.245  -3.302
  411    HA   ASN  57           HA       ASN  57   7.680   9.546  -5.899
  412   1HB   ASN  57          2HB       ASN  57   9.878  10.180  -5.206
  413   2HB   ASN  57          3HB       ASN  57   9.858   9.097  -3.827
  414   1HD2  ASN  57          1HD       ASN  57  10.274   6.926  -4.071
  415   2HD2  ASN  57          2HD       ASN  57  10.972   6.236  -5.498
  416    H    GLY  58           HN       GLY  58   8.202   7.301  -6.856
  417   1HA   GLY  58          1HA       GLY  58   8.459   4.916  -6.154
  418   2HA   GLY  58          2HA       GLY  58   7.053   5.180  -5.143
  419    HA   PRO  59           HA       PRO  59   5.087   3.777  -8.849
  420   1HB   PRO  59          2HB       PRO  59   2.795   2.875  -7.665
  421   2HB   PRO  59          3HB       PRO  59   4.228   1.884  -7.860
  422   1HG   PRO  59          2HG       PRO  59   3.187   3.176  -5.413
  423   2HG   PRO  59          3HG       PRO  59   4.341   1.864  -5.556
  424   1HD   PRO  59          2HD       PRO  59   4.928   4.609  -4.964
  425   2HD   PRO  59          3HD       PRO  59   6.088   3.322  -5.222
  426    H    THR  60           HN       THR  60   4.564   5.376 -10.205
  427    HA   THR  60           HA       THR  60   2.227   6.940  -9.349
  428    HB   THR  60           HB       THR  60   4.509   8.129  -9.048
  429    HG1  THR  60           HG1      THR  60   2.436   8.970 -10.946
  430   1HG2  THR  60          1HG       THR  60   4.280   8.209 -12.103
  431   2HG2  THR  60          2HG       THR  60   5.455   9.110 -11.116
  432   3HG2  THR  60          3HG       THR  60   5.549   7.335 -11.211
  433    H    LYS  61           HN       LYS  61   4.314   5.772 -12.043
  434    HA   LYS  61           HA       LYS  61   2.568   6.556 -14.079
  435   1HB   LYS  61          2HB       LYS  61   4.536   4.249 -14.083
  436   2HB   LYS  61          3HB       LYS  61   3.873   5.065 -15.486
  437   1HG   LYS  61          2HG       LYS  61   5.266   6.745 -13.402
  438   2HG   LYS  61          3HG       LYS  61   6.258   5.753 -14.451
  439   1HD   LYS  61          2HD       LYS  61   5.865   7.072 -16.280
  440   2HD   LYS  61          3HD       LYS  61   4.156   7.223 -15.925
  441   1HE   LYS  61          2HE       LYS  61   4.497   9.310 -15.109
  442   2HE   LYS  61          3HE       LYS  61   5.560   8.665 -13.875
  443   1HZ   LYS  61          1HZ       LYS  61   6.922  10.047 -15.044
  444   2HZ   LYS  61          2HZ       LYS  61   7.251   8.631 -15.787
  445   3HZ   LYS  61          3HZ       LYS  61   6.256   9.714 -16.498
  446    H    CYS  62           HN       CYS  62   2.981   3.261 -14.631
  447    HA   CYS  62           HA       CYS  62   0.176   2.820 -13.961
  448   1HB   CYS  62          2HB       CYS  62   0.587   2.509 -16.273
  449   2HB   CYS  62          3HB       CYS  62   2.025   1.552 -15.977
  450    H    GLY  63           HN       GLY  63   3.046   0.629 -14.378
  451   1HA   GLY  63          1HA       GLY  63   2.261  -1.198 -12.418
  452   2HA   GLY  63          2HA       GLY  63   3.871  -1.013 -13.086
  453    H    GLY  64           HN       GLY  64   5.360   0.596 -12.110
  454   1HA   GLY  64          1HA       GLY  64   6.318   1.651 -10.372
  455   2HA   GLY  64          2HA       GLY  64   4.716   2.027  -9.769
  456    H    CYS  65           HN       CYS  65   3.501  -0.185  -8.968
  457    HA   CYS  65           HA       CYS  65   5.225  -1.124  -6.863
  458   1HB   CYS  65          2HB       CYS  65   2.479  -2.196  -7.112
  459   2HB   CYS  65          3HB       CYS  65   3.350  -1.627  -5.702
  460    H    HIS  66           HN       HIS  66   3.119  -2.515  -9.489
  461    HA   HIS  66           HA       HIS  66   3.990  -5.140  -9.109
  462   1HB   HIS  66          2HB       HIS  66   2.822  -3.809 -11.570
  463   2HB   HIS  66          3HB       HIS  66   2.976  -5.538 -11.334
  464    HD1  HIS  66           HD1      HIS  66   1.249  -6.712  -9.819
  465    HD2  HIS  66           HD2      HIS  66   0.817  -2.542  -9.951
  466    HE1  HIS  66           HE1      HIS  66  -0.991  -6.189  -8.713
  467    H    ILE  67           HN       ILE  67   5.786  -6.244  -9.778
  468    HA   ILE  67           HA       ILE  67   7.816  -4.674 -11.121
  469    HB   ILE  67           HB       ILE  67   7.944  -7.462  -9.968
  470   1HG1  ILE  67          2HG       ILE  67   7.299  -5.555  -8.372
  471   2HG1  ILE  67          3HG       ILE  67   8.642  -6.590  -7.927
  472   1HG2  ILE  67          1HG       ILE  67  10.192  -5.539 -10.612
  473   2HG2  ILE  67          2HG       ILE  67  10.326  -7.223 -10.051
  474   3HG2  ILE  67          3HG       ILE  67   9.674  -6.874 -11.671
  475   1HD1  ILE  67          1HD       ILE  67   9.019  -4.060  -7.660
  476   2HD1  ILE  67          2HD       ILE  67  10.272  -4.943  -8.564
  477   3HD1  ILE  67          3HD       ILE  67   9.057  -3.978  -9.438
  478    H    LYS  68           HN       LYS  68   6.532  -4.539 -13.158
  479    HA   LYS  68           HA       LYS  68   5.888  -6.855 -14.599
  480   1HB   LYS  68          2HB       LYS  68   5.562  -5.335 -16.473
  481   2HB   LYS  68          3HB       LYS  68   4.856  -4.677 -15.010
  482   1HG   LYS  68          2HG       LYS  68   6.257  -2.875 -15.008
  483   2HG   LYS  68          3HG       LYS  68   7.670  -3.863 -15.320
  484   1HD   LYS  68          2HD       LYS  68   6.803  -4.043 -17.766
  485   2HD   LYS  68          3HD       LYS  68   5.696  -2.750 -17.353
  486   1HE   LYS  68          2HE       LYS  68   7.565  -1.259 -16.765
  487   2HE   LYS  68          3HE       LYS  68   8.721  -2.558 -16.976
  488   1HZ   LYS  68          1HZ       LYS  68   7.952  -2.680 -19.306
  489   2HZ   LYS  68          2HZ       LYS  68   7.065  -1.331 -19.064
  490   3HZ   LYS  68          3HZ       LYS  68   8.691  -1.273 -18.930
  491    HHA  HEC  98           HGM      HEC  98  -3.724  -5.632   8.438
  492    HHB  HEC  98           HDM      HEC  98  -1.385  -2.814  13.493
  493    HHC  HEC  98           HAM      HEC  98   1.492   1.363   9.699
  494    HHD  HEC  98           HBM      HEC  98  -1.304  -1.301   4.810
  495   1HMA  HEC  98          1HM       HEC  98  -2.668  -4.571  14.199
  496   2HMA  HEC  98          2HM       HEC  98  -3.315  -6.126  13.626
  497   3HMA  HEC  98          3HM       HEC  98  -1.557  -5.887  13.751
  498   1HAA  HEC  98          1HA       HEC  98  -3.805  -7.279  11.780
  499   2HAA  HEC  98          2HA       HEC  98  -4.534  -6.682  10.270
  500   1HBA  HEC  98          3HB       HEC  98  -3.340  -8.437   9.312
  501   2HBA  HEC  98          4HB       HEC  98  -1.986  -7.284   9.385
  502   1HMB  HEC  98          1HM       HEC  98   0.571  -1.133  14.919
  503   2HMB  HEC  98          2HM       HEC  98  -0.185   0.470  14.767
  504   3HMB  HEC  98          3HM       HEC  98  -1.187  -0.998  14.674
  505    HAB  HEC  98           HT2      HEC  98   1.914   1.934  11.582
  506   1HBB  HEC  98          1HT       HEC  98   3.708   1.825  12.925
  507   2HBB  HEC  98          2HT       HEC  98   2.943   0.681  14.054
  508   3HBB  HEC  98          3HT       HEC  98   3.405   0.146  12.420
  509   1HMC  HEC  98          1HM       HEC  98   2.826   2.062   7.128
  510   2HMC  HEC  98          2HM       HEC  98   1.507   3.129   6.589
  511   3HMC  HEC  98          3HM       HEC  98   1.754   2.826   8.325
  512    HAC  HEC  98           HT4      HEC  98  -1.076   1.460   4.611
  513   1HBC  HEC  98          1HT       HEC  98   1.405   0.829   3.191
  514   2HBC  HEC  98          2HT       HEC  98   0.762  -0.585   4.061
  515   3HBC  HEC  98          3HT       HEC  98  -0.257   0.271   2.880
  516   1HMD  HEC  98          1HM       HEC  98  -3.396  -2.221   3.557
  517   2HMD  HEC  98          2HM       HEC  98  -1.854  -3.066   3.281
  518   3HMD  HEC  98          3HM       HEC  98  -3.374  -3.989   3.354
  519   1HAD  HEC  98          1HA       HEC  98  -4.112  -6.249   6.296
  520   2HAD  HEC  98          2HA       HEC  98  -4.516  -5.368   4.804
  521   1HBD  HEC  98          3HB       HEC  98  -3.138  -7.529   4.634
  522   2HBD  HEC  98          4HB       HEC  98  -2.609  -6.107   3.704
  523    HHA  HEC 128           HGM      HEC 128   8.207   3.536  -1.078
  524    HHB  HEC 128           HDM      HEC 128   4.326  -0.845  -3.252
  525    HHC  HEC 128           HAM      HEC 128  -0.193   1.418   0.564
  526    HHD  HEC 128           HBM      HEC 128   3.675   5.995   2.269
  527   1HMA  HEC 128          1HM       HEC 128   6.851  -1.839  -3.087
  528   2HMA  HEC 128          2HM       HEC 128   6.593  -0.850  -4.543
  529   3HMA  HEC 128          3HM       HEC 128   8.202  -0.915  -3.786
  530   1HAA  HEC 128          1HA       HEC 128   9.310   1.571  -3.364
  531   2HAA  HEC 128          2HA       HEC 128   9.435   2.191  -1.701
  532   1HBA  HEC 128          3HB       HEC 128  10.406   0.238  -0.972
  533   2HBA  HEC 128          4HB       HEC 128   9.116  -0.741  -1.709
  534   1HMB  HEC 128          1HM       HEC 128   1.149  -1.166  -4.243
  535   2HMB  HEC 128          2HM       HEC 128   2.738  -1.844  -3.821
  536   3HMB  HEC 128          3HM       HEC 128   1.261  -2.524  -3.098
  537    HAB  HEC 128           HT2      HEC 128  -1.154   0.100  -0.880
  538   1HBB  HEC 128          1HT       HEC 128  -1.615  -2.278  -0.132
  539   2HBB  HEC 128          2HT       HEC 128   0.148  -2.345   0.099
  540   3HBB  HEC 128          3HT       HEC 128  -0.812  -1.099   0.932
  541   1HMC  HEC 128          1HM       HEC 128  -1.620   4.204   2.124
  542   2HMC  HEC 128          2HM       HEC 128  -1.473   2.548   1.487
  543   3HMC  HEC 128          3HM       HEC 128  -1.061   2.888   3.183
  544    HAC  HEC 128           HT4      HEC 128   1.576   6.275   3.451
  545   1HBC  HEC 128          1HT       HEC 128  -0.616   4.968   4.049
  546   2HBC  HEC 128          2HT       HEC 128  -0.578   6.736   4.252
  547   3HBC  HEC 128          3HT       HEC 128  -1.374   6.020   2.830
  548   1HMD  HEC 128          1HM       HEC 128   6.119   6.928   3.252
  549   2HMD  HEC 128          2HM       HEC 128   6.827   7.810   1.877
  550   3HMD  HEC 128          3HM       HEC 128   5.060   7.733   2.069
  551   1HAD  HEC 128          1HA       HEC 128   9.133   5.080   0.294
  552   2HAD  HEC 128          2HA       HEC 128   8.577   6.752   0.546
  553   1HBD  HEC 128          3HB       HEC 128   8.171   5.391   2.982
  554   2HBD  HEC 128          4HB       HEC 128   9.791   4.940   2.399
  555    HHA  HEC 158           HGM      HEC 158  -3.544  -6.745  -7.141
  556    HHB  HEC 158           HDM      HEC 158  -3.054  -5.319 -13.199
  557    HHC  HEC 158           HAM      HEC 158  -0.988   0.441 -11.565
  558    HHD  HEC 158           HBM      HEC 158  -1.104  -1.321  -5.590
  559   1HMA  HEC 158          1HM       HEC 158  -3.694  -7.751 -12.902
  560   2HMA  HEC 158          2HM       HEC 158  -4.944  -8.461 -11.854
  561   3HMA  HEC 158          3HM       HEC 158  -5.277  -6.955 -12.742
  562   1HAA  HEC 158          1HA       HEC 158  -4.738  -8.004  -7.940
  563   2HAA  HEC 158          2HA       HEC 158  -5.870  -8.207  -9.297
  564   1HBA  HEC 158          3HB       HEC 158  -3.550  -9.254 -10.397
  565   2HBA  HEC 158          4HB       HEC 158  -3.342  -9.704  -8.687
  566   1HMB  HEC 158          1HM       HEC 158  -1.666  -4.632 -14.863
  567   2HMB  HEC 158          2HM       HEC 158  -2.983  -3.573 -15.420
  568   3HMB  HEC 158          3HM       HEC 158  -1.287  -3.078 -15.643
  569    HAB  HEC 158           HT2      HEC 158  -0.409   0.035 -13.785
  570   1HBB  HEC 158          1HT       HEC 158  -2.713   0.841 -13.182
  571   2HBB  HEC 158          2HT       HEC 158  -1.772   1.645 -14.461
  572   3HBB  HEC 158          3HT       HEC 158  -3.092   0.533 -14.894
  573   1HMC  HEC 158          1HM       HEC 158  -0.743   2.265 -10.612
  574   2HMC  HEC 158          2HM       HEC 158  -0.257   2.882  -9.015
  575   3HMC  HEC 158          3HM       HEC 158   0.918   2.011 -10.027
  576    HAC  HEC 158           HT4      HEC 158   0.346   0.322  -5.791
  577   1HBC  HEC 158          1HT       HEC 158   0.009   2.607  -5.118
  578   2HBC  HEC 158          2HT       HEC 158  -0.370   3.110  -6.782
  579   3HBC  HEC 158          3HT       HEC 158  -1.501   2.066  -5.890
  580   1HMD  HEC 158          1HM       HEC 158  -1.657  -3.894  -3.014
  581   2HMD  HEC 158          2HM       HEC 158  -0.605  -2.655  -3.740
  582   3HMD  HEC 158          3HM       HEC 158  -2.316  -2.289  -3.411
  583   1HAD  HEC 158          1HA       HEC 158  -3.061  -5.307  -3.397
  584   2HAD  HEC 158          2HA       HEC 158  -4.386  -5.703  -4.515
  585   1HBD  HEC 158          3HB       HEC 158  -2.147  -7.150  -5.410
  586   2HBD  HEC 158          4HB       HEC 158  -2.189  -7.325  -3.640
  Start of MODEL   16
    1    H    ALA   1           HN       ALA   1   1.240  -4.622   4.514
    2    HA   ALA   1           HA       ALA   1  -0.220  -5.915   6.657
    3   1HB   ALA   1          1HB       ALA   1  -0.807  -6.232   4.246
    4   2HB   ALA   1          2HB       ALA   1   0.784  -6.991   3.991
    5   3HB   ALA   1          3HB       ALA   1  -0.405  -7.758   5.070
    6    H    ASP   2           HN       ASP   2   1.693  -5.450   8.158
    7    HA   ASP   2           HA       ASP   2   3.561  -6.007   9.148
    8   1HB   ASP   2          2HB       ASP   2   1.965  -8.414   8.713
    9   2HB   ASP   2          3HB       ASP   2   3.663  -8.837   8.790
   10    H    VAL   3           HN       VAL   3   3.882  -5.400   6.282
   11    HA   VAL   3           HA       VAL   3   5.436  -5.458   4.712
   12    HB   VAL   3           HB       VAL   3   6.874  -6.813   6.964
   13   1HG1  VAL   3          1HG       VAL   3   8.098  -7.956   5.436
   14   2HG1  VAL   3          2HG       VAL   3   7.626  -6.883   4.095
   15   3HG1  VAL   3          3HG       VAL   3   8.910  -6.386   5.224
   16   1HG2  VAL   3          1HG       VAL   3   6.680  -4.441   7.167
   17   2HG2  VAL   3          2HG       VAL   3   8.355  -4.785   6.673
   18   3HG2  VAL   3          3HG       VAL   3   7.179  -4.189   5.477
   19    H    VAL   4           HN       VAL   4   3.746  -6.716   3.551
   20    HA   VAL   4           HA       VAL   4   4.378  -9.564   3.365
   21    HB   VAL   4           HB       VAL   4   2.002  -7.851   2.730
   22   1HG1  VAL   4          1HG       VAL   4   2.375  -9.150   0.689
   23   2HG1  VAL   4          2HG       VAL   4   2.478 -10.649   1.646
   24   3HG1  VAL   4          3HG       VAL   4   0.945  -9.748   1.564
   25   1HG2  VAL   4          1HG       VAL   4   2.689  -9.483   4.863
   26   2HG2  VAL   4          2HG       VAL   4   1.053  -8.906   4.465
   27   3HG2  VAL   4          3HG       VAL   4   1.594 -10.504   3.899
   28    H    THR   5           HN       THR   5   4.314 -10.514   1.089
   29    HA   THR   5           HA       THR   5   5.147  -8.622  -0.965
   30    HB   THR   5           HB       THR   5   6.858 -10.860   0.218
   31    HG1  THR   5           HG1      THR   5   7.839  -9.010   0.932
   32   1HG2  THR   5          1HG       THR   5   6.651 -10.433  -2.522
   33   2HG2  THR   5          2HG       THR   5   7.913  -9.265  -2.062
   34   3HG2  THR   5          3HG       THR   5   8.128 -10.994  -1.700
   35    H    TYR   6           HN       TYR   6   3.284  -9.023  -2.134
   36    HA   TYR   6           HA       TYR   6   2.318 -11.644  -2.564
   37   1HB   TYR   6          2HB       TYR   6   2.020  -8.838  -3.746
   38   2HB   TYR   6          3HB       TYR   6   1.226 -10.177  -4.550
   39    HD1  TYR   6           HD1      TYR   6   1.505  -8.541  -1.193
   40    HD2  TYR   6           HD2      TYR   6  -0.913 -10.842  -3.870
   41    HE1  TYR   6           HE1      TYR   6  -0.466  -8.339   0.401
   42    HE2  TYR   6           HE2      TYR   6  -2.874 -10.633  -2.266
   43    HH   TYR   6           HH       TYR   6  -2.721 -10.059   0.701
   44    H    GLU   7           HN       GLU   7   2.123 -12.688  -4.747
   45    HA   GLU   7           HA       GLU   7   4.332 -12.007  -6.492
   46   1HB   GLU   7          2HB       GLU   7   4.032 -14.531  -4.923
   47   2HB   GLU   7          3HB       GLU   7   4.478 -14.737  -6.605
   48   1HG   GLU   7          2HG       GLU   7   6.323 -12.986  -6.216
   49   2HG   GLU   7          3HG       GLU   7   5.951 -13.086  -4.506
   50    H    ASN   8           HN       ASN   8   1.619 -11.375  -6.877
   51    HA   ASN   8           HA       ASN   8  -0.001 -13.171  -8.012
   52   1HB   ASN   8          2HB       ASN   8  -0.782 -11.216  -9.503
   53   2HB   ASN   8          3HB       ASN   8  -0.747 -10.885  -7.783
   54   1HD2  ASN   8          1HD       ASN   8   0.372  -9.226  -7.051
   55   2HD2  ASN   8          2HD       ASN   8   1.511  -8.273  -7.942
   56    H    LYS   9           HN       LYS   9  -0.544 -13.129 -10.591
   57    HA   LYS   9           HA       LYS   9   1.919 -13.973 -11.880
   58   1HB   LYS   9          2HB       LYS   9  -1.015 -14.419 -12.385
   59   2HB   LYS   9          3HB       LYS   9   0.151 -14.701 -13.662
   60   1HG   LYS   9          2HG       LYS   9   1.430 -16.235 -12.137
   61   2HG   LYS   9          3HG       LYS   9   0.235 -15.971 -10.882
   62   1HD   LYS   9          2HD       LYS   9  -1.473 -16.722 -12.810
   63   2HD   LYS   9          3HD       LYS   9  -0.045 -17.482 -13.482
   64   1HE   LYS   9          2HE       LYS   9   0.062 -18.167 -10.750
   65   2HE   LYS   9          3HE       LYS   9  -1.645 -18.268 -11.137
   66   1HZ   LYS   9          1HZ       LYS   9  -1.250 -19.856 -12.727
   67   2HZ   LYS   9          2HZ       LYS   9   0.325 -19.474 -12.919
   68   3HZ   LYS   9          3HZ       LYS   9  -0.164 -20.269 -11.579
   69    H    LYS  10           HN       LYS  10   1.016 -11.063 -11.285
   70    HA   LYS  10           HA       LYS  10   1.563 -10.138 -13.999
   71   1HB   LYS  10          2HB       LYS  10  -0.901  -9.650 -12.444
   72   2HB   LYS  10          3HB       LYS  10  -0.162  -8.208 -13.111
   73   1HG   LYS  10          2HG       LYS  10  -0.082 -10.300 -15.119
   74   2HG   LYS  10          3HG       LYS  10  -1.713 -10.196 -14.486
   75   1HD   LYS  10          2HD       LYS  10  -1.619  -8.632 -16.307
   76   2HD   LYS  10          3HD       LYS  10  -1.597  -7.663 -14.846
   77   1HE   LYS  10          2HE       LYS  10   0.398  -6.757 -15.434
   78   2HE   LYS  10          3HE       LYS  10   1.136  -8.346 -15.493
   79   1HZ   LYS  10          1HZ       LYS  10   1.282  -7.942 -17.652
   80   2HZ   LYS  10          2HZ       LYS  10  -0.315  -8.274 -17.745
   81   3HZ   LYS  10          3HZ       LYS  10   0.192  -6.726 -17.632
   82    H    GLY  11           HN       GLY  11   3.574 -10.465 -12.240
   83   1HA   GLY  11          1HA       GLY  11   5.330  -8.996 -11.764
   84   2HA   GLY  11          2HA       GLY  11   4.189  -7.695 -11.491
   85    H    ASN  12           HN       ASN  12   4.428  -7.058  -9.381
   86    HA   ASN  12           HA       ASN  12   3.554  -8.757  -7.364
   87   1HB   ASN  12          2HB       ASN  12   5.752  -8.797  -6.035
   88   2HB   ASN  12          3HB       ASN  12   5.713  -9.858  -7.430
   89   1HD2  ASN  12          1HD       ASN  12   7.991  -9.814  -7.428
   90   2HD2  ASN  12          2HD       ASN  12   8.884  -8.495  -8.107
   91    H    VAL  13           HN       VAL  13   3.249  -7.493  -5.382
   92    HA   VAL  13           HA       VAL  13   4.234  -4.736  -5.518
   93    HB   VAL  13           HB       VAL  13   2.002  -4.650  -6.353
   94   1HG1  VAL  13          1HG       VAL  13   0.424  -6.128  -5.808
   95   2HG1  VAL  13          2HG       VAL  13   1.550  -6.869  -4.647
   96   3HG1  VAL  13          3HG       VAL  13   0.447  -5.577  -4.116
   97   1HG2  VAL  13          1HG       VAL  13   2.829  -3.027  -4.494
   98   2HG2  VAL  13          2HG       VAL  13   1.106  -3.026  -4.940
   99   3HG2  VAL  13          3HG       VAL  13   1.643  -3.866  -3.465
  100    H    THR  14           HN       THR  14   5.841  -5.164  -3.962
  101    HA   THR  14           HA       THR  14   5.268  -6.586  -1.575
  102    HB   THR  14           HB       THR  14   7.518  -4.826  -2.631
  103    HG1  THR  14           HG1      THR  14   8.493  -7.012  -2.441
  104   1HG2  THR  14          1HG       THR  14   7.143  -4.800   0.029
  105   2HG2  THR  14          2HG       THR  14   7.789  -6.454  -0.094
  106   3HG2  THR  14          3HG       THR  14   8.766  -5.073  -0.651
  107    H    PHE  15           HN       PHE  15   4.437  -5.973   0.337
  108    HA   PHE  15           HA       PHE  15   3.609  -3.184   0.511
  109   1HB   PHE  15          2HB       PHE  15   2.951  -5.761   2.061
  110   2HB   PHE  15          3HB       PHE  15   2.216  -4.213   2.424
  111    HD1  PHE  15           HD1      PHE  15   0.113  -3.858   1.567
  112    HD2  PHE  15           HD2      PHE  15   2.767  -6.385  -0.572
  113    HE1  PHE  15           HE1      PHE  15  -1.685  -4.316  -0.121
  114    HE2  PHE  15           HE2      PHE  15   0.968  -6.844  -2.261
  115    HZ   PHE  15           HZ       PHE  15  -1.236  -5.804  -2.016
  116    H    ASP  16           HN       ASP  16   3.651  -2.201   2.795
  117    HA   ASP  16           HA       ASP  16   5.934  -3.183   4.289
  118   1HB   ASP  16          2HB       ASP  16   5.518  -0.368   3.207
  119   2HB   ASP  16          3HB       ASP  16   6.538  -0.659   4.603
  120    H    HIS  17           HN       HIS  17   5.297  -3.325   6.448
  121    HA   HIS  17           HA       HIS  17   3.274  -1.415   7.353
  122   1HB   HIS  17          2HB       HIS  17   2.236  -3.612   6.876
  123   2HB   HIS  17          3HB       HIS  17   3.343  -4.377   7.999
  124    HD1  HIS  17           HD1      HIS  17   3.209  -2.478  10.409
  125    HD2  HIS  17           HD2      HIS  17  -0.154  -3.667   8.202
  126    HE1  HIS  17           HE1      HIS  17   1.199  -2.181  11.954
  127    H    LYS  18           HN       LYS  18   5.462  -4.048   8.597
  128    HA   LYS  18           HA       LYS  18   5.883  -2.737  11.047
  129   1HB   LYS  18          2HB       LYS  18   6.115  -5.135  10.833
  130   2HB   LYS  18          3HB       LYS  18   7.388  -4.960   9.643
  131   1HG   LYS  18          2HG       LYS  18   8.771  -5.173  11.462
  132   2HG   LYS  18          3HG       LYS  18   8.462  -3.459  11.655
  133   1HD   LYS  18          2HD       LYS  18   6.495  -5.386  12.887
  134   2HD   LYS  18          3HD       LYS  18   8.057  -5.209  13.663
  135   1HE   LYS  18          2HE       LYS  18   7.361  -2.557  13.185
  136   2HE   LYS  18          3HE       LYS  18   5.799  -3.284  13.506
  137   1HZ   LYS  18          1HZ       LYS  18   6.451  -3.908  15.597
  138   2HZ   LYS  18          2HZ       LYS  18   8.050  -3.865  15.266
  139   3HZ   LYS  18          3HZ       LYS  18   7.215  -2.473  15.445
  140    H    ALA  19           HN       ALA  19   7.568  -2.711   7.883
  141    HA   ALA  19           HA       ALA  19   9.741  -1.148   8.921
  142   1HB   ALA  19          1HB       ALA  19  10.294  -2.621   7.154
  143   2HB   ALA  19          2HB       ALA  19   8.876  -2.138   6.191
  144   3HB   ALA  19          3HB       ALA  19  10.242  -1.015   6.388
  145    H    HIS  20           HN       HIS  20   6.780  -0.629   6.914
  146    HA   HIS  20           HA       HIS  20   7.291   2.075   6.427
  147   1HB   HIS  20          2HB       HIS  20   5.089   0.165   6.057
  148   2HB   HIS  20          3HB       HIS  20   4.544   1.807   6.332
  149    HD1  HIS  20           HD1      HIS  20   7.809   1.383   4.546
  150    HD2  HIS  20           HD2      HIS  20   3.765   1.946   3.585
  151    HE1  HIS  20           HE1      HIS  20   7.742   2.011   2.073
  152    H    ALA  21           HN       ALA  21   5.415   0.352   8.990
  153    HA   ALA  21           HA       ALA  21   4.216   2.404  10.255
  154   1HB   ALA  21          1HB       ALA  21   3.865   0.228  11.088
  155   2HB   ALA  21          2HB       ALA  21   5.608  -0.086  11.267
  156   3HB   ALA  21          3HB       ALA  21   4.784   1.026  12.387
  157    H    GLU  22           HN       GLU  22   7.619   1.286  10.905
  158    HA   GLU  22           HA       GLU  22   8.306   3.112  12.735
  159   1HB   GLU  22          2HB       GLU  22  10.532   2.554  12.269
  160   2HB   GLU  22          3HB       GLU  22   9.670   1.189  11.585
  161   1HG   GLU  22          2HG       GLU  22  10.837   1.645   9.677
  162   2HG   GLU  22          3HG       GLU  22   9.671   2.930   9.440
  163    H    LYS  23           HN       LYS  23   7.598   3.669   9.336
  164    HA   LYS  23           HA       LYS  23   8.635   6.402   9.581
  165   1HB   LYS  23          2HB       LYS  23   9.667   5.439   7.723
  166   2HB   LYS  23          3HB       LYS  23   8.235   4.548   7.248
  167   1HG   LYS  23          2HG       LYS  23   7.455   6.281   5.995
  168   2HG   LYS  23          3HG       LYS  23   7.688   7.427   7.300
  169   1HD   LYS  23          2HD       LYS  23  10.205   7.379   6.721
  170   2HD   LYS  23          3HD       LYS  23   9.766   6.494   5.274
  171   1HE   LYS  23          2HE       LYS  23   8.697   8.328   4.294
  172   2HE   LYS  23          3HE       LYS  23   8.244   9.030   5.835
  173   1HZ   LYS  23          1HZ       LYS  23  10.770   9.312   6.092
  174   2HZ   LYS  23          2HZ       LYS  23  10.807   9.164   4.465
  175   3HZ   LYS  23          3HZ       LYS  23   9.942  10.365   5.157
  176    H    LEU  24           HN       LEU  24   5.988   4.878   7.632
  177    HA   LEU  24           HA       LEU  24   4.317   6.915   7.424
  178   1HB   LEU  24          2HB       LEU  24   3.744   4.017   7.985
  179   2HB   LEU  24          3HB       LEU  24   2.447   5.163   7.711
  180    HG   LEU  24           HG       LEU  24   3.426   5.713   5.491
  181   1HD1  LEU  24          1HD       LEU  24   5.416   3.579   6.273
  182   2HD1  LEU  24          2HD       LEU  24   5.104   4.031   4.580
  183   3HD1  LEU  24          3HD       LEU  24   5.724   5.245   5.725
  184   1HD2  LEU  24          1HD       LEU  24   2.849   2.761   5.866
  185   2HD2  LEU  24          2HD       LEU  24   1.620   4.045   5.767
  186   3HD2  LEU  24          3HD       LEU  24   2.671   3.710   4.370
  187    H    GLY  25           HN       GLY  25   3.330   4.610   9.997
  188   1HA   GLY  25          1HA       GLY  25   3.503   5.405  12.337
  189   2HA   GLY  25          2HA       GLY  25   2.902   6.947  11.762
  190    H    CYS  26           HN       CYS  26   1.781   3.802  10.467
  191    HA   CYS  26           HA       CYS  26  -0.158   2.776  10.531
  192   1HB   CYS  26          2HB       CYS  26  -1.276   4.054  12.933
  193   2HB   CYS  26          3HB       CYS  26  -1.112   2.358  12.520
  194    H    ASP  27           HN       ASP  27  -1.122   5.860  12.196
  195    HA   ASP  27           HA       ASP  27  -3.413   6.364  11.093
  196   1HB   ASP  27          2HB       ASP  27  -1.073   8.193  11.639
  197   2HB   ASP  27          3HB       ASP  27  -2.487   8.882  10.868
  198    H    ALA  28           HN       ALA  28  -0.211   6.815   9.483
  199    HA   ALA  28           HA       ALA  28  -0.782   8.187   7.260
  200   1HB   ALA  28          1HB       ALA  28   0.730   5.641   6.848
  201   2HB   ALA  28          2HB       ALA  28   1.182   7.317   6.453
  202   3HB   ALA  28          3HB       ALA  28   1.317   6.731   8.128
  203    H    CYS  29           HN       CYS  29  -1.730   4.797   7.980
  204    HA   CYS  29           HA       CYS  29  -3.231   4.817   5.465
  205   1HB   CYS  29          2HB       CYS  29  -2.742   2.301   6.999
  206   2HB   CYS  29          3HB       CYS  29  -2.991   2.537   5.280
  207    H    HIS  30           HN       HIS  30  -3.319   3.475   8.855
  208    HA   HIS  30           HA       HIS  30  -6.195   3.489   8.766
  209   1HB   HIS  30          2HB       HIS  30  -4.539   2.841  11.192
  210   2HB   HIS  30          3HB       HIS  30  -6.119   2.232  10.740
  211    HD1  HIS  30           HD1      HIS  30  -6.171   0.455   8.711
  212    HD2  HIS  30           HD2      HIS  30  -2.388   1.334  10.297
  213    HE1  HIS  30           HE1      HIS  30  -4.610  -1.397   7.906
  214    H    GLU  31           HN       GLU  31  -6.610   4.100  11.597
  215    HA   GLU  31           HA       GLU  31  -5.543   6.433  12.441
  216   1HB   GLU  31          2HB       GLU  31  -6.251   7.641  10.500
  217   2HB   GLU  31          3HB       GLU  31  -7.833   6.887  10.499
  218   1HG   GLU  31          2HG       GLU  31  -7.467   8.169  13.062
  219   2HG   GLU  31          3HG       GLU  31  -7.014   9.319  11.818
  220    H    GLY  32           HN       GLY  32  -6.088   6.334  14.574
  221   1HA   GLY  32          1HA       GLY  32  -7.472   6.319  16.390
  222   2HA   GLY  32          2HA       GLY  32  -8.855   6.026  15.355
  223    H    THR  33           HN       THR  33  -8.506   3.719  14.055
  224    HA   THR  33           HA       THR  33  -7.386   1.720  15.831
  225    HB   THR  33           HB       THR  33 -10.376   1.973  15.218
  226    HG1  THR  33           HG1      THR  33  -8.721   1.744  17.633
  227   1HG2  THR  33          1HG       THR  33  -9.902  -0.065  17.119
  228   2HG2  THR  33          2HG       THR  33 -10.458  -0.306  15.445
  229   3HG2  THR  33          3HG       THR  33  -8.722  -0.387  15.827
  230    HA   PRO  34           HA       PRO  34  -6.643   0.423  11.723
  231   1HB   PRO  34          2HB       PRO  34  -4.510  -1.187  12.296
  232   2HB   PRO  34          3HB       PRO  34  -4.354   0.525  11.960
  233   1HG   PRO  34          2HG       PRO  34  -4.182  -0.878  14.557
  234   2HG   PRO  34          3HG       PRO  34  -3.620   0.728  14.137
  235   1HD   PRO  34          2HD       PRO  34  -5.981   0.070  15.628
  236   2HD   PRO  34          3HD       PRO  34  -5.480   1.668  15.109
  237    H    ALA  35           HN       ALA  35  -6.719  -1.563  10.449
  238    HA   ALA  35           HA       ALA  35  -7.232  -4.001  11.679
  239   1HB   ALA  35          1HB       ALA  35  -9.383  -3.895  12.316
  240   2HB   ALA  35          2HB       ALA  35  -9.431  -2.178  11.850
  241   3HB   ALA  35          3HB       ALA  35  -9.860  -3.435  10.665
  242    H    LYS  36           HN       LYS  36  -8.066  -5.626  10.034
  243    HA   LYS  36           HA       LYS  36  -6.672  -5.471   7.710
  244   1HB   LYS  36          2HB       LYS  36  -7.351  -7.589   7.793
  245   2HB   LYS  36          3HB       LYS  36  -8.661  -7.195   8.887
  246   1HG   LYS  36          2HG       LYS  36 -10.151  -6.640   7.052
  247   2HG   LYS  36          3HG       LYS  36  -8.840  -6.668   5.889
  248   1HD   LYS  36          2HD       LYS  36  -9.432  -9.161   7.504
  249   2HD   LYS  36          3HD       LYS  36 -10.459  -8.764   6.140
  250   1HE   LYS  36          2HE       LYS  36  -8.094  -8.437   4.898
  251   2HE   LYS  36          3HE       LYS  36  -7.535  -9.513   6.162
  252   1HZ   LYS  36          1HZ       LYS  36  -9.935 -10.482   5.113
  253   2HZ   LYS  36          2HZ       LYS  36  -8.903 -10.194   3.881
  254   3HZ   LYS  36          3HZ       LYS  36  -8.461 -11.185   5.101
  255    H    ILE  37           HN       ILE  37  -6.803  -4.328   5.851
  256    HA   ILE  37           HA       ILE  37  -9.213  -2.729   5.479
  257    HB   ILE  37           HB       ILE  37  -6.426  -2.557   4.342
  258   1HG1  ILE  37          2HG       ILE  37  -7.841  -0.463   5.976
  259   2HG1  ILE  37          3HG       ILE  37  -7.052  -1.815   6.764
  260   1HG2  ILE  37          1HG       ILE  37  -8.965  -1.314   3.438
  261   2HG2  ILE  37          2HG       ILE  37  -7.546  -0.246   3.557
  262   3HG2  ILE  37          3HG       ILE  37  -7.482  -1.701   2.534
  263   1HD1  ILE  37          1HD       ILE  37  -5.653   0.343   6.372
  264   2HD1  ILE  37          2HD       ILE  37  -4.902  -1.213   5.941
  265   3HD1  ILE  37          3HD       ILE  37  -5.588  -0.173   4.670
  266    H    ALA  38           HN       ALA  38  -7.861  -5.702   4.524
  267    HA   ALA  38           HA       ALA  38  -8.550  -7.201   3.038
  268   1HB   ALA  38          1HB       ALA  38 -10.697  -7.094   2.229
  269   2HB   ALA  38          2HB       ALA  38 -10.808  -5.795   3.441
  270   3HB   ALA  38          3HB       ALA  38 -10.542  -5.395   1.726
  271    H    ILE  39           HN       ILE  39  -6.714  -7.385   1.791
  272    HA   ILE  39           HA       ILE  39  -6.530  -5.506  -0.461
  273    HB   ILE  39           HB       ILE  39  -4.351  -6.878   1.112
  274   1HG1  ILE  39          2HG       ILE  39  -5.427  -4.829   2.101
  275   2HG1  ILE  39          3HG       ILE  39  -3.699  -4.717   1.830
  276   1HG2  ILE  39          1HG       ILE  39  -3.502  -4.947  -0.908
  277   2HG2  ILE  39          2HG       ILE  39  -2.884  -6.575  -0.539
  278   3HG2  ILE  39          3HG       ILE  39  -4.295  -6.378  -1.608
  279   1HD1  ILE  39          1HD       ILE  39  -5.536  -2.849   0.974
  280   2HD1  ILE  39          2HD       ILE  39  -3.920  -3.067   0.261
  281   3HD1  ILE  39          3HD       ILE  39  -5.337  -3.842  -0.490
  282    H    ASP  40           HN       ASP  40  -6.631  -6.355  -2.490
  283    HA   ASP  40           HA       ASP  40  -5.871  -9.061  -2.907
  284   1HB   ASP  40          2HB       ASP  40  -8.092  -9.607  -2.233
  285   2HB   ASP  40          3HB       ASP  40  -8.770  -8.176  -2.985
  286    H    LYS  41           HN       LYS  41  -8.313  -6.868  -4.488
  287    HA   LYS  41           HA       LYS  41  -6.538  -5.724  -6.314
  288   1HB   LYS  41          2HB       LYS  41  -6.253  -7.903  -7.280
  289   2HB   LYS  41          3HB       LYS  41  -7.980  -8.195  -7.307
  290   1HG   LYS  41          2HG       LYS  41  -7.868  -5.843  -8.726
  291   2HG   LYS  41          3HG       LYS  41  -6.307  -6.526  -9.139
  292   1HD   LYS  41          2HD       LYS  41  -7.277  -7.997 -10.565
  293   2HD   LYS  41          3HD       LYS  41  -8.279  -8.639  -9.280
  294   1HE   LYS  41          2HE       LYS  41  -9.996  -7.804 -10.564
  295   2HE   LYS  41          3HE       LYS  41  -9.616  -6.306  -9.737
  296   1HZ   LYS  41          1HZ       LYS  41  -9.294  -6.944 -12.453
  297   2HZ   LYS  41          2HZ       LYS  41  -9.184  -5.489 -11.720
  298   3HZ   LYS  41          3HZ       LYS  41  -7.869  -6.450 -11.826
  299    H    LYS  42           HN       LYS  42  -7.894  -4.053  -5.248
  300    HA   LYS  42           HA       LYS  42  -9.785  -3.031  -6.927
  301   1HB   LYS  42          2HB       LYS  42 -10.894  -5.170  -5.306
  302   2HB   LYS  42          3HB       LYS  42 -11.687  -3.648  -4.952
  303   1HG   LYS  42          2HG       LYS  42 -12.670  -3.531  -7.019
  304   2HG   LYS  42          3HG       LYS  42 -11.221  -4.063  -7.849
  305   1HD   LYS  42          2HD       LYS  42 -12.562  -5.919  -8.229
  306   2HD   LYS  42          3HD       LYS  42 -11.823  -6.416  -6.720
  307   1HE   LYS  42          2HE       LYS  42 -13.764  -6.015  -5.466
  308   2HE   LYS  42          3HE       LYS  42 -14.347  -4.775  -6.557
  309   1HZ   LYS  42          1HZ       LYS  42 -15.658  -6.651  -6.912
  310   2HZ   LYS  42          2HZ       LYS  42 -14.648  -6.617  -8.197
  311   3HZ   LYS  42          3HZ       LYS  42 -14.386  -7.673  -6.980
  312    H    SER  43           HN       SER  43  -9.795  -3.530  -3.324
  313    HA   SER  43           HA       SER  43 -10.098  -0.792  -2.870
  314   1HB   SER  43          2HB       SER  43 -10.303  -3.121  -1.364
  315   2HB   SER  43          3HB       SER  43  -8.878  -2.367  -0.675
  316    HG   SER  43           HG       SER  43 -11.270  -1.788   0.051
  317    H    ALA  44           HN       ALA  44  -7.276  -3.048  -2.824
  318    HA   ALA  44           HA       ALA  44  -5.399  -1.266  -1.818
  319   1HB   ALA  44          1HB       ALA  44  -5.497  -3.909  -2.760
  320   2HB   ALA  44          2HB       ALA  44  -4.333  -3.093  -3.832
  321   3HB   ALA  44          3HB       ALA  44  -4.082  -3.076  -2.070
  322    H    HIS  45           HN       HIS  45  -7.148  -1.262  -4.809
  323    HA   HIS  45           HA       HIS  45  -5.099   0.373  -6.082
  324   1HB   HIS  45          2HB       HIS  45  -7.467  -1.190  -7.056
  325   2HB   HIS  45          3HB       HIS  45  -6.894   0.163  -8.010
  326    HD1  HIS  45           HD1      HIS  45  -6.614  -2.375  -9.452
  327    HD2  HIS  45           HD2      HIS  45  -3.699  -1.132  -6.704
  328    HE1  HIS  45           HE1      HIS  45  -4.478  -3.633 -10.058
  329    H    LYS  46           HN       LYS  46  -7.599   0.755  -3.926
  330    HA   LYS  46           HA       LYS  46  -8.482   3.272  -5.138
  331   1HB   LYS  46          2HB       LYS  46  -9.850   1.167  -3.754
  332   2HB   LYS  46          3HB       LYS  46  -9.972   2.626  -2.792
  333   1HG   LYS  46          2HG       LYS  46 -11.184   3.772  -4.411
  334   2HG   LYS  46          3HG       LYS  46 -10.394   2.953  -5.745
  335   1HD   LYS  46          2HD       LYS  46 -11.825   0.940  -4.290
  336   2HD   LYS  46          3HD       LYS  46 -12.914   2.304  -4.448
  337   1HE   LYS  46          2HE       LYS  46 -11.422   1.725  -6.943
  338   2HE   LYS  46          3HE       LYS  46 -12.418   0.382  -6.415
  339   1HZ   LYS  46          1HZ       LYS  46 -13.526   2.076  -7.835
  340   2HZ   LYS  46          2HZ       LYS  46 -14.308   1.737  -6.443
  341   3HZ   LYS  46          3HZ       LYS  46 -13.451   3.120  -6.582
  342    H    ASP  47           HN       ASP  47  -9.327   4.471  -2.650
  343    HA   ASP  47           HA       ASP  47  -7.266   5.989  -2.020
  344   1HB   ASP  47          2HB       ASP  47  -9.643   6.124  -1.124
  345   2HB   ASP  47          3HB       ASP  47  -9.226   4.893   0.050
  346    H    ALA  48           HN       ALA  48  -7.842   2.629  -1.021
  347    HA   ALA  48           HA       ALA  48  -6.442   2.261   1.224
  348   1HB   ALA  48          1HB       ALA  48  -6.018   0.494  -1.205
  349   2HB   ALA  48          2HB       ALA  48  -6.121   0.018   0.507
  350   3HB   ALA  48          3HB       ALA  48  -7.578   0.572  -0.352
  351    H    CYS  49           HN       CYS  49  -4.814   1.865  -2.003
  352    HA   CYS  49           HA       CYS  49  -2.355   2.722  -0.686
  353   1HB   CYS  49          2HB       CYS  49  -2.925   0.582  -2.403
  354   2HB   CYS  49          3HB       CYS  49  -2.027   1.721  -3.386
  355    H    LYS  50           HN       LYS  50  -3.956   2.944  -3.958
  356    HA   LYS  50           HA       LYS  50  -2.563   5.166  -4.812
  357   1HB   LYS  50          2HB       LYS  50  -5.362   4.260  -5.549
  358   2HB   LYS  50          3HB       LYS  50  -4.400   5.413  -6.453
  359   1HG   LYS  50          2HG       LYS  50  -2.642   3.256  -6.133
  360   2HG   LYS  50          3HG       LYS  50  -4.191   2.465  -6.353
  361   1HD   LYS  50          2HD       LYS  50  -4.064   4.613  -8.260
  362   2HD   LYS  50          3HD       LYS  50  -2.532   3.768  -8.338
  363   1HE   LYS  50          2HE       LYS  50  -3.472   1.905  -9.278
  364   2HE   LYS  50          3HE       LYS  50  -4.822   1.911  -8.160
  365   1HZ   LYS  50          1HZ       LYS  50  -6.057   3.104  -9.568
  366   2HZ   LYS  50          2HZ       LYS  50  -4.823   4.032 -10.099
  367   3HZ   LYS  50          3HZ       LYS  50  -5.039   2.533 -10.709
  368    H    THR  51           HN       THR  51  -2.314   6.733  -3.179
  369    HA   THR  51           HA       THR  51  -4.149   8.778  -3.118
  370    HB   THR  51           HB       THR  51  -4.698   6.563  -1.173
  371    HG1  THR  51           HG1      THR  51  -6.055   7.495  -2.989
  372   1HG2  THR  51          1HG       THR  51  -3.914   8.336   0.395
  373   2HG2  THR  51          2HG       THR  51  -4.926   9.533  -0.448
  374   3HG2  THR  51          3HG       THR  51  -5.687   8.199   0.452
  375    H    CYS  52           HN       CYS  52  -2.098   7.016  -0.695
  376    HA   CYS  52           HA       CYS  52  -0.856   9.541  -0.051
  377   1HB   CYS  52          2HB       CYS  52  -1.180   8.412   1.897
  378   2HB   CYS  52          3HB       CYS  52  -0.967   6.834   1.165
  379    H    HIS  53           HN       HIS  53   0.054   6.225  -1.241
  380    HA   HIS  53           HA       HIS  53   2.694   6.569  -1.639
  381   1HB   HIS  53          2HB       HIS  53   0.713   4.743  -2.426
  382   2HB   HIS  53          3HB       HIS  53   1.506   5.211  -3.916
  383    HD1  HIS  53           HD1      HIS  53   2.688   2.928  -4.207
  384    HD2  HIS  53           HD2      HIS  53   3.640   4.888  -0.623
  385    HE1  HIS  53           HE1      HIS  53   4.674   1.674  -3.212
  386    H    LYS  54           HN       LYS  54  -0.003   7.772  -3.693
  387    HA   LYS  54           HA       LYS  54   1.804   8.805  -5.662
  388   1HB   LYS  54          2HB       LYS  54  -0.338   9.837  -6.551
  389   2HB   LYS  54          3HB       LYS  54  -0.275   8.087  -6.493
  390   1HG   LYS  54          2HG       LYS  54  -1.747   7.953  -4.647
  391   2HG   LYS  54          3HG       LYS  54  -1.397   9.586  -4.115
  392   1HD   LYS  54          2HD       LYS  54  -2.461   9.827  -6.758
  393   2HD   LYS  54          3HD       LYS  54  -3.478   8.665  -5.931
  394   1HE   LYS  54          2HE       LYS  54  -3.402  10.443  -3.946
  395   2HE   LYS  54          3HE       LYS  54  -2.946  11.559  -5.217
  396   1HZ   LYS  54          1HZ       LYS  54  -5.119  11.693  -5.550
  397   2HZ   LYS  54          2HZ       LYS  54  -5.015  10.243  -6.294
  398   3HZ   LYS  54          3HZ       LYS  54  -5.464  10.326  -4.726
  399    H    SER  55           HN       SER  55   3.233  10.059  -4.270
  400    HA   SER  55           HA       SER  55   2.332  12.729  -4.112
  401   1HB   SER  55          2HB       SER  55   2.323  11.054  -1.665
  402   2HB   SER  55          3HB       SER  55   3.233  12.542  -1.490
  403    HG   SER  55           HG       SER  55   0.689  12.742  -2.746
  404    H    ASN  56           HN       ASN  56   4.731  10.261  -2.981
  405    HA   ASN  56           HA       ASN  56   6.812  12.227  -3.466
  406   1HB   ASN  56          2HB       ASN  56   6.487   9.882  -1.653
  407   2HB   ASN  56          3HB       ASN  56   8.067   9.972  -2.404
  408   1HD2  ASN  56          1HD       ASN  56   7.921  10.211   0.249
  409   2HD2  ASN  56          2HD       ASN  56   8.231  11.830   0.781
  410    H    ASN  57           HN       ASN  57   7.061   8.628  -3.473
  411    HA   ASN  57           HA       ASN  57   8.686   8.477  -5.633
  412   1HB   ASN  57          2HB       ASN  57   6.849   6.591  -4.195
  413   2HB   ASN  57          3HB       ASN  57   7.339   6.074  -5.797
  414   1HD2  ASN  57          1HD       ASN  57   8.089   5.998  -2.600
  415   2HD2  ASN  57          2HD       ASN  57   9.783   5.640  -2.656
  416    H    GLY  58           HN       GLY  58   5.120   8.675  -5.403
  417   1HA   GLY  58          1HA       GLY  58   3.509   8.962  -6.943
  418   2HA   GLY  58          2HA       GLY  58   4.748   9.591  -8.012
  419    HA   PRO  59           HA       PRO  59   4.591   4.948  -8.894
  420   1HB   PRO  59          2HB       PRO  59   3.035   3.283  -7.386
  421   2HB   PRO  59          3HB       PRO  59   4.740   3.543  -7.076
  422   1HG   PRO  59          2HG       PRO  59   2.406   4.593  -5.596
  423   2HG   PRO  59          3HG       PRO  59   4.077   4.482  -5.077
  424   1HD   PRO  59          2HD       PRO  59   2.704   6.844  -5.952
  425   2HD   PRO  59          3HD       PRO  59   4.403   6.710  -5.544
  426    H    THR  60           HN       THR  60   2.125   7.023  -8.621
  427    HA   THR  60           HA       THR  60  -0.155   5.863  -9.400
  428    HB   THR  60           HB       THR  60   1.256   8.392 -10.360
  429    HG1  THR  60           HG1      THR  60   0.050   9.156  -8.615
  430   1HG2  THR  60          1HG       THR  60  -0.384   8.685 -11.927
  431   2HG2  THR  60          2HG       THR  60  -1.169   7.161 -11.450
  432   3HG2  THR  60          3HG       THR  60  -1.565   8.671 -10.595
  433    H    LYS  61           HN       LYS  61   2.180   7.006 -11.930
  434    HA   LYS  61           HA       LYS  61   0.956   5.587 -13.969
  435   1HB   LYS  61          2HB       LYS  61   2.593   6.450 -15.286
  436   2HB   LYS  61          3HB       LYS  61   2.815   7.489 -13.892
  437   1HG   LYS  61          2HG       LYS  61   4.541   5.795 -13.030
  438   2HG   LYS  61          3HG       LYS  61   4.414   4.982 -14.577
  439   1HD   LYS  61          2HD       LYS  61   4.876   7.405 -15.573
  440   2HD   LYS  61          3HD       LYS  61   5.509   7.740 -13.974
  441   1HE   LYS  61          2HE       LYS  61   7.373   6.439 -14.299
  442   2HE   LYS  61          3HE       LYS  61   6.468   5.164 -15.089
  443   1HZ   LYS  61          1HZ       LYS  61   8.029   6.377 -16.535
  444   2HZ   LYS  61          2HZ       LYS  61   6.495   6.378 -17.096
  445   3HZ   LYS  61          3HZ       LYS  61   7.107   7.717 -16.390
  446    H    CYS  62           HN       CYS  62   1.152   3.522 -14.803
  447    HA   CYS  62           HA       CYS  62   1.623   1.437 -13.211
  448   1HB   CYS  62          2HB       CYS  62   1.469   1.863 -16.080
  449   2HB   CYS  62          3HB       CYS  62   2.542   0.533 -15.691
  450    H    GLY  63           HN       GLY  63   3.457  -0.101 -12.962
  451   1HA   GLY  63          1HA       GLY  63   5.702  -0.675 -13.123
  452   2HA   GLY  63          2HA       GLY  63   6.093   0.930 -13.706
  453    H    GLY  64           HN       GLY  64   4.293   2.149 -11.510
  454   1HA   GLY  64          1HA       GLY  64   6.263   2.766  -9.661
  455   2HA   GLY  64          2HA       GLY  64   4.537   2.964  -9.431
  456    H    CYS  65           HN       CYS  65   3.644   0.260  -9.543
  457    HA   CYS  65           HA       CYS  65   4.975  -0.795  -7.155
  458   1HB   CYS  65          2HB       CYS  65   2.089  -1.152  -7.992
  459   2HB   CYS  65          3HB       CYS  65   2.837  -1.805  -6.549
  460    H    HIS  66           HN       HIS  66   2.841  -1.852  -9.919
  461    HA   HIS  66           HA       HIS  66   4.036  -4.441  -9.900
  462   1HB   HIS  66          2HB       HIS  66   2.011  -3.095 -11.700
  463   2HB   HIS  66          3HB       HIS  66   2.573  -4.734 -11.959
  464    HD1  HIS  66           HD1      HIS  66   1.216  -6.511 -10.844
  465    HD2  HIS  66           HD2      HIS  66   0.837  -2.800  -8.925
  466    HE1  HIS  66           HE1      HIS  66  -0.513  -6.835  -8.995
  467    H    ILE  67           HN       ILE  67   6.181  -4.508 -10.475
  468    HA   ILE  67           HA       ILE  67   7.054  -2.878 -12.710
  469    HB   ILE  67           HB       ILE  67   8.539  -4.672 -10.789
  470   1HG1  ILE  67          2HG       ILE  67   8.927  -1.723 -10.857
  471   2HG1  ILE  67          3HG       ILE  67   7.408  -2.296 -10.197
  472   1HG2  ILE  67          1HG       ILE  67   9.340  -3.584 -13.339
  473   2HG2  ILE  67          2HG       ILE  67  10.316  -2.884 -12.025
  474   3HG2  ILE  67          3HG       ILE  67  10.230  -4.651 -12.225
  475   1HD1  ILE  67          1HD       ILE  67  10.188  -2.641  -9.148
  476   2HD1  ILE  67          2HD       ILE  67   8.656  -2.438  -8.266
  477   3HD1  ILE  67          3HD       ILE  67   9.089  -4.026  -8.941
  478    H    LYS  68           HN       LYS  68   5.410  -4.202 -14.062
  479    HA   LYS  68           HA       LYS  68   5.809  -6.877 -14.608
  480   1HB   LYS  68          2HB       LYS  68   4.462  -6.521 -16.534
  481   2HB   LYS  68          3HB       LYS  68   3.866  -5.444 -15.287
  482   1HG   LYS  68          2HG       LYS  68   5.477  -3.663 -16.342
  483   2HG   LYS  68          3HG       LYS  68   5.550  -4.745 -17.719
  484   1HD   LYS  68          2HD       LYS  68   2.777  -4.410 -16.888
  485   2HD   LYS  68          3HD       LYS  68   3.514  -2.837 -17.114
  486   1HE   LYS  68          2HE       LYS  68   4.302  -3.535 -19.389
  487   2HE   LYS  68          3HE       LYS  68   3.559  -5.106 -19.163
  488   1HZ   LYS  68          1HZ       LYS  68   1.545  -3.455 -18.608
  489   2HZ   LYS  68          2HZ       LYS  68   2.329  -2.597 -19.756
  490   3HZ   LYS  68          3HZ       LYS  68   1.813  -4.113 -20.079
  491    HHA  HEC  98           HGM      HEC  98  -4.692  -4.912   8.839
  492    HHB  HEC  98           HDM      HEC  98  -2.525  -2.135  13.994
  493    HHC  HEC  98           HAM      HEC  98   1.354   1.321  10.370
  494    HHD  HEC  98           HBM      HEC  98  -1.255  -1.227   5.319
  495   1HMA  HEC  98          1HM       HEC  98  -4.974  -4.110  14.336
  496   2HMA  HEC  98          2HM       HEC  98  -4.062  -5.616  14.078
  497   3HMA  HEC  98          3HM       HEC  98  -3.223  -4.155  14.648
  498   1HAA  HEC  98          1HA       HEC  98  -5.389  -6.306  12.225
  499   2HAA  HEC  98          2HA       HEC  98  -5.849  -5.709  10.612
  500   1HBA  HEC  98          3HB       HEC  98  -4.821  -7.644   9.849
  501   2HBA  HEC  98          4HB       HEC  98  -3.313  -6.736  10.108
  502   1HMB  HEC  98          1HM       HEC  98  -1.599  -0.939  15.322
  503   2HMB  HEC  98          2HM       HEC  98  -0.241   0.195  15.523
  504   3HMB  HEC  98          3HM       HEC  98  -1.846   0.803  15.054
  505    HAB  HEC  98           HT2      HEC  98   1.575   2.017  12.264
  506   1HBB  HEC  98          1HT       HEC  98   2.331   0.654  14.775
  507   2HBB  HEC  98          2HT       HEC  98   2.787   0.049  13.164
  508   3HBB  HEC  98          3HT       HEC  98   3.281   1.681  13.675
  509   1HMC  HEC  98          1HM       HEC  98   2.992   1.762   7.540
  510   2HMC  HEC  98          2HM       HEC  98   1.762   3.048   7.515
  511   3HMC  HEC  98          3HM       HEC  98   2.268   2.331   9.063
  512    HAC  HEC  98           HT4      HEC  98  -0.567   1.037   4.860
  513   1HBC  HEC  98          1HT       HEC  98   1.412  -0.649   4.649
  514   2HBC  HEC  98          2HT       HEC  98   1.185   0.560   3.363
  515   3HBC  HEC  98          3HT       HEC  98   2.441   0.802   4.601
  516   1HMD  HEC  98          1HM       HEC  98  -3.538  -3.673   3.759
  517   2HMD  HEC  98          2HM       HEC  98  -3.306  -1.912   3.873
  518   3HMD  HEC  98          3HM       HEC  98  -1.894  -2.994   3.823
  519   1HAD  HEC  98          1HA       HEC  98  -4.902  -5.626   6.705
  520   2HAD  HEC  98          2HA       HEC  98  -5.051  -4.771   5.152
  521   1HBD  HEC  98          3HB       HEC  98  -2.514  -5.678   4.966
  522   2HBD  HEC  98          4HB       HEC  98  -3.246  -6.956   5.965
  523    HHA  HEC 128           HGM      HEC 128   9.265   3.080  -0.671
  524    HHB  HEC 128           HDM      HEC 128   4.949  -1.119  -2.317
  525    HHC  HEC 128           HAM      HEC 128   0.774   1.884   1.378
  526    HHD  HEC 128           HBM      HEC 128   5.080   6.234   2.540
  527   1HMA  HEC 128          1HM       HEC 128   8.761  -1.779  -2.618
  528   2HMA  HEC 128          2HM       HEC 128   7.071  -2.251  -2.326
  529   3HMA  HEC 128          3HM       HEC 128   7.495  -1.317  -3.780
  530   1HAA  HEC 128          1HA       HEC 128  10.376   1.463  -1.057
  531   2HAA  HEC 128          2HA       HEC 128  10.353  -0.256  -1.515
  532   1HBA  HEC 128          3HB       HEC 128   9.572   0.499  -3.862
  533   2HBA  HEC 128          4HB       HEC 128   9.939   2.166  -3.357
  534   1HMB  HEC 128          1HM       HEC 128   2.153  -2.627  -1.883
  535   2HMB  HEC 128          2HM       HEC 128   1.420  -1.410  -2.955
  536   3HMB  HEC 128          3HM       HEC 128   3.170  -1.723  -3.030
  537    HAB  HEC 128           HT2      HEC 128  -0.330   0.516   0.163
  538   1HBB  HEC 128          1HT       HEC 128   0.940  -1.581   1.501
  539   2HBB  HEC 128          2HT       HEC 128  -0.583  -0.728   1.842
  540   3HBB  HEC 128          3HT       HEC 128  -0.584  -2.165   0.794
  541   1HMC  HEC 128          1HM       HEC 128  -0.176   2.915   2.755
  542   2HMC  HEC 128          2HM       HEC 128   0.068   4.297   3.849
  543   3HMC  HEC 128          3HM       HEC 128  -0.493   4.571   2.184
  544    HAC  HEC 128           HT4      HEC 128   3.147   6.895   3.542
  545   1HBC  HEC 128          1HT       HEC 128   1.376   5.944   5.002
  546   2HBC  HEC 128          2HT       HEC 128   1.014   7.619   4.522
  547   3HBC  HEC 128          3HT       HEC 128   0.170   6.266   3.734
  548   1HMD  HEC 128          1HM       HEC 128   6.700   7.885   1.985
  549   2HMD  HEC 128          2HM       HEC 128   7.432   7.052   3.377
  550   3HMD  HEC 128          3HM       HEC 128   8.460   7.626   2.043
  551   1HAD  HEC 128          1HA       HEC 128  10.189   5.510   0.062
  552   2HAD  HEC 128          2HA       HEC 128   9.942   6.343   1.615
  553   1HBD  HEC 128          3HB       HEC 128  11.052   4.760   2.687
  554   2HBD  HEC 128          4HB       HEC 128   9.982   3.499   2.026
  555    HHA  HEC 158           HGM      HEC 158  -3.032  -7.188  -6.743
  556    HHB  HEC 158           HDM      HEC 158  -2.559  -5.527 -12.742
  557    HHC  HEC 158           HAM      HEC 158  -0.796   0.266 -10.888
  558    HHD  HEC 158           HBM      HEC 158  -0.879  -1.707  -4.979
  559   1HMA  HEC 158          1HM       HEC 158  -4.871  -8.310 -11.628
  560   2HMA  HEC 158          2HM       HEC 158  -4.031  -7.170 -12.705
  561   3HMA  HEC 158          3HM       HEC 158  -3.180  -8.608 -12.096
  562   1HAA  HEC 158          1HA       HEC 158  -4.243  -8.435  -7.600
  563   2HAA  HEC 158          2HA       HEC 158  -5.232  -8.739  -9.048
  564   1HBA  HEC 158          3HB       HEC 158  -2.448  -9.451  -9.604
  565   2HBA  HEC 158          4HB       HEC 158  -2.988 -10.282  -8.126
  566   1HMB  HEC 158          1HM       HEC 158  -0.563  -4.105 -14.617
  567   2HMB  HEC 158          2HM       HEC 158  -2.297  -4.492 -14.524
  568   3HMB  HEC 158          3HM       HEC 158  -1.768  -2.939 -15.213
  569    HAB  HEC 158           HT2      HEC 158  -0.084  -0.133 -13.218
  570   1HBB  HEC 158          1HT       HEC 158  -1.662   1.197 -12.425
  571   2HBB  HEC 158          2HT       HEC 158  -1.885   1.341 -14.184
  572   3HBB  HEC 158          3HT       HEC 158  -2.991   0.327 -13.227
  573   1HMC  HEC 158          1HM       HEC 158  -0.575   2.021  -9.926
  574   2HMC  HEC 158          2HM       HEC 158  -0.307   2.659  -8.287
  575   3HMC  HEC 158          3HM       HEC 158   1.037   1.911  -9.181
  576    HAC  HEC 158           HT4      HEC 158   0.007   0.309  -4.979
  577   1HBC  HEC 158          1HT       HEC 158   0.980   2.811  -6.284
  578   2HBC  HEC 158          2HT       HEC 158  -0.779   2.538  -6.310
  579   3HBC  HEC 158          3HT       HEC 158   0.091   2.585  -4.758
  580   1HMD  HEC 158          1HM       HEC 158  -2.063  -3.924  -2.479
  581   2HMD  HEC 158          2HM       HEC 158  -0.333  -3.909  -2.896
  582   3HMD  HEC 158          3HM       HEC 158  -1.321  -2.449  -3.144
  583   1HAD  HEC 158          1HA       HEC 158  -3.018  -5.709  -2.995
  584   2HAD  HEC 158          2HA       HEC 158  -3.825  -6.577  -4.323
  585   1HBD  HEC 158          3HB       HEC 158  -0.931  -7.014  -3.592
  586   2HBD  HEC 158          4HB       HEC 158  -2.275  -7.936  -2.875
  Start of MODEL   17
    1    H    ALA   1           HN       ALA   1   3.806 -10.393   8.701
    2    HA   ALA   1           HA       ALA   1   4.208  -8.040   9.961
    3   1HB   ALA   1          1HB       ALA   1   5.986 -10.508  10.110
    4   2HB   ALA   1          2HB       ALA   1   5.804  -9.262  11.369
    5   3HB   ALA   1          3HB       ALA   1   4.427 -10.310  10.947
    6    H    ASP   2           HN       ASP   2   5.530  -6.290   9.758
    7    HA   ASP   2           HA       ASP   2   7.197  -5.032   9.156
    8   1HB   ASP   2          2HB       ASP   2   8.585  -7.170   9.757
    9   2HB   ASP   2          3HB       ASP   2   8.702  -7.423   8.026
   10    H    VAL   3           HN       VAL   3   6.933  -7.812   6.805
   11    HA   VAL   3           HA       VAL   3   6.330  -5.862   4.710
   12    HB   VAL   3           HB       VAL   3   8.683  -6.327   4.504
   13   1HG1  VAL   3          1HG       VAL   3   8.361  -9.223   3.937
   14   2HG1  VAL   3          2HG       VAL   3   9.689  -8.346   4.736
   15   3HG1  VAL   3          3HG       VAL   3   8.208  -8.738   5.643
   16   1HG2  VAL   3          1HG       VAL   3   8.627  -7.573   2.228
   17   2HG2  VAL   3          2HG       VAL   3   6.862  -7.591   2.459
   18   3HG2  VAL   3          3HG       VAL   3   7.734  -6.041   2.389
   19    H    VAL   4           HN       VAL   4   4.456  -6.384   3.712
   20    HA   VAL   4           HA       VAL   4   3.539  -9.153   4.028
   21    HB   VAL   4           HB       VAL   4   1.937  -6.659   3.440
   22   1HG1  VAL   4          1HG       VAL   4   0.987  -9.361   4.436
   23   2HG1  VAL   4          2HG       VAL   4  -0.005  -7.983   3.904
   24   3HG1  VAL   4          3HG       VAL   4   0.981  -8.877   2.722
   25   1HG2  VAL   4          1HG       VAL   4   1.267  -7.504   5.996
   26   2HG2  VAL   4          2HG       VAL   4   3.038  -7.677   5.953
   27   3HG2  VAL   4          3HG       VAL   4   2.288  -6.106   5.583
   28    H    THR   5           HN       THR   5   4.924  -9.840   2.226
   29    HA   THR   5           HA       THR   5   4.479  -8.666  -0.354
   30    HB   THR   5           HB       THR   5   5.994 -11.090   0.727
   31    HG1  THR   5           HG1      THR   5   6.871  -8.713  -0.712
   32   1HG2  THR   5          1HG       THR   5   7.059 -11.224  -1.511
   33   2HG2  THR   5          2HG       THR   5   5.313 -11.529  -1.661
   34   3HG2  THR   5          3HG       THR   5   5.980  -9.943  -2.116
   35    H    TYR   6           HN       TYR   6   2.762  -8.964  -1.613
   36    HA   TYR   6           HA       TYR   6   1.272 -11.473  -1.238
   37   1HB   TYR   6          2HB       TYR   6   0.641  -8.578  -2.023
   38   2HB   TYR   6          3HB       TYR   6  -0.476  -9.851  -2.476
   39    HD1  TYR   6           HD1      TYR   6  -0.380  -7.333  -0.341
   40    HD2  TYR   6           HD2      TYR   6  -0.511 -11.605  -0.128
   41    HE1  TYR   6           HE1      TYR   6  -1.479  -7.192   1.948
   42    HE2  TYR   6           HE2      TYR   6  -1.609 -11.448   2.161
   43    HH   TYR   6           HH       TYR   6  -3.015  -8.705   3.301
   44    H    GLU   7           HN       GLU   7   1.997 -12.902  -2.771
   45    HA   GLU   7           HA       GLU   7   3.069 -12.126  -5.194
   46   1HB   GLU   7          2HB       GLU   7   1.783 -14.762  -4.362
   47   2HB   GLU   7          3HB       GLU   7   2.718 -14.550  -5.828
   48   1HG   GLU   7          2HG       GLU   7   4.546 -15.070  -4.579
   49   2HG   GLU   7          3HG       GLU   7   4.406 -13.464  -3.890
   50    H    ASN   8           HN       ASN   8   2.104 -11.220  -6.956
   51    HA   ASN   8           HA       ASN   8  -0.766 -11.512  -7.155
   52   1HB   ASN   8          2HB       ASN   8   1.287  -9.547  -8.150
   53   2HB   ASN   8          3HB       ASN   8  -0.117  -9.779  -9.172
   54   1HD2  ASN   8          1HD       ASN   8   1.117  -7.929  -6.819
   55   2HD2  ASN   8          2HD       ASN   8  -0.310  -7.361  -6.018
   56    H    LYS   9           HN       LYS   9  -1.272 -11.248  -9.856
   57    HA   LYS   9           HA       LYS   9  -0.293 -13.749 -10.891
   58   1HB   LYS   9          2HB       LYS   9  -2.707 -12.823 -10.979
   59   2HB   LYS   9          3HB       LYS   9  -2.141 -11.829 -12.306
   60   1HG   LYS   9          2HG       LYS   9  -2.790 -13.689 -13.523
   61   2HG   LYS   9          3HG       LYS   9  -1.141 -14.167 -13.179
   62   1HD   LYS   9          2HD       LYS   9  -1.959 -16.029 -12.176
   63   2HD   LYS   9          3HD       LYS   9  -2.590 -15.004 -10.902
   64   1HE   LYS   9          2HE       LYS   9  -4.758 -15.002 -11.772
   65   2HE   LYS   9          3HE       LYS   9  -4.215 -15.183 -13.428
   66   1HZ   LYS   9          1HZ       LYS   9  -4.545 -17.227 -11.392
   67   2HZ   LYS   9          2HZ       LYS   9  -4.999 -17.245 -12.960
   68   3HZ   LYS   9          3HZ       LYS   9  -3.432 -17.470 -12.561
   69    H    LYS  10           HN       LYS  10  -0.387 -10.308 -12.068
   70    HA   LYS  10           HA       LYS  10   2.034 -10.957 -13.601
   71   1HB   LYS  10          2HB       LYS  10  -0.113  -8.914 -14.248
   72   2HB   LYS  10          3HB       LYS  10   1.328  -9.229 -15.193
   73   1HG   LYS  10          2HG       LYS  10  -0.192 -11.694 -14.608
   74   2HG   LYS  10          3HG       LYS  10  -1.147 -10.515 -15.485
   75   1HD   LYS  10          2HD       LYS  10   1.657 -10.934 -16.466
   76   2HD   LYS  10          3HD       LYS  10   0.549 -12.271 -16.704
   77   1HE   LYS  10          2HE       LYS  10  -0.945 -10.958 -18.038
   78   2HE   LYS  10          3HE       LYS  10  -0.260  -9.445 -17.479
   79   1HZ   LYS  10          1HZ       LYS  10   0.824 -11.325 -19.409
   80   2HZ   LYS  10          2HZ       LYS  10   0.729  -9.696 -19.491
   81   3HZ   LYS  10          3HZ       LYS  10   1.865 -10.402 -18.554
   82    H    GLY  11           HN       GLY  11   2.908 -10.540 -11.261
   83   1HA   GLY  11          1HA       GLY  11   4.528  -8.442 -11.138
   84   2HA   GLY  11          2HA       GLY  11   3.036  -7.708 -10.583
   85    H    ASN  12           HN       ASN  12   4.527  -7.442  -8.587
   86    HA   ASN  12           HA       ASN  12   3.732  -9.448  -6.744
   87   1HB   ASN  12          2HB       ASN  12   6.380  -9.594  -7.907
   88   2HB   ASN  12          3HB       ASN  12   6.564  -9.096  -6.237
   89   1HD2  ASN  12          1HD       ASN  12   6.854 -10.685  -4.892
   90   2HD2  ASN  12          2HD       ASN  12   6.183 -12.280  -4.978
   91    H    VAL  13           HN       VAL  13   2.860  -7.956  -5.278
   92    HA   VAL  13           HA       VAL  13   4.180  -5.415  -4.901
   93    HB   VAL  13           HB       VAL  13   1.769  -5.527  -5.143
   94   1HG1  VAL  13          1HG       VAL  13   0.594  -7.206  -4.267
   95   2HG1  VAL  13          2HG       VAL  13   2.015  -7.758  -3.348
   96   3HG1  VAL  13          3HG       VAL  13   0.909  -6.556  -2.640
   97   1HG2  VAL  13          1HG       VAL  13   1.249  -3.966  -3.509
   98   2HG2  VAL  13          2HG       VAL  13   2.175  -4.817  -2.249
   99   3HG2  VAL  13          3HG       VAL  13   3.028  -3.902  -3.515
  100    H    THR  14           HN       THR  14   5.678  -5.021  -3.357
  101    HA   THR  14           HA       THR  14   5.947  -7.034  -1.232
  102    HB   THR  14           HB       THR  14   7.880  -5.043  -2.525
  103    HG1  THR  14           HG1      THR  14   7.135  -7.257  -3.433
  104   1HG2  THR  14          1HG       THR  14   9.549  -6.524  -1.122
  105   2HG2  THR  14          2HG       THR  14   8.727  -5.178  -0.298
  106   3HG2  THR  14          3HG       THR  14   8.139  -6.844  -0.084
  107    H    PHE  15           HN       PHE  15   3.838  -5.700  -0.552
  108    HA   PHE  15           HA       PHE  15   3.933  -3.193   0.434
  109   1HB   PHE  15          2HB       PHE  15   2.196  -5.281   0.477
  110   2HB   PHE  15          3HB       PHE  15   2.808  -5.477   2.107
  111    HD1  PHE  15           HD1      PHE  15   0.926  -4.904   3.384
  112    HD2  PHE  15           HD2      PHE  15   2.233  -2.273   0.322
  113    HE1  PHE  15           HE1      PHE  15  -0.684  -3.159   4.198
  114    HE2  PHE  15           HE2      PHE  15   0.624  -0.527   1.136
  115    HZ   PHE  15           HZ       PHE  15  -0.815  -0.990   3.064
  116    H    ASP  16           HN       ASP  16   4.014  -2.455   2.800
  117    HA   ASP  16           HA       ASP  16   6.025  -3.948   4.265
  118   1HB   ASP  16          2HB       ASP  16   6.093  -1.000   3.508
  119   2HB   ASP  16          3HB       ASP  16   6.984  -1.601   4.893
  120    H    HIS  17           HN       HIS  17   5.565  -3.960   6.513
  121    HA   HIS  17           HA       HIS  17   3.272  -2.324   7.307
  122   1HB   HIS  17          2HB       HIS  17   3.515  -5.027   7.403
  123   2HB   HIS  17          3HB       HIS  17   4.122  -4.612   8.993
  124    HD1  HIS  17           HD1      HIS  17   2.191  -5.219  10.490
  125    HD2  HIS  17           HD2      HIS  17   1.007  -2.891   7.206
  126    HE1  HIS  17           HE1      HIS  17  -0.271  -4.657  10.861
  127    H    LYS  18           HN       LYS  18   6.564  -3.463   8.228
  128    HA   LYS  18           HA       LYS  18   6.560  -1.493  10.388
  129   1HB   LYS  18          2HB       LYS  18   7.180  -3.919  10.800
  130   2HB   LYS  18          3HB       LYS  18   8.612  -3.647   9.827
  131   1HG   LYS  18          2HG       LYS  18   9.609  -2.267  11.410
  132   2HG   LYS  18          3HG       LYS  18   8.081  -1.634  11.988
  133   1HD   LYS  18          2HD       LYS  18   7.605  -3.787  13.147
  134   2HD   LYS  18          3HD       LYS  18   9.100  -4.464  12.533
  135   1HE   LYS  18          2HE       LYS  18   9.114  -1.899  14.170
  136   2HE   LYS  18          3HE       LYS  18   9.082  -3.465  14.958
  137   1HZ   LYS  18          1HZ       LYS  18  11.035  -3.206  12.875
  138   2HZ   LYS  18          2HZ       LYS  18  11.296  -2.251  14.175
  139   3HZ   LYS  18          3HZ       LYS  18  11.177  -3.869  14.360
  140    H    ALA  19           HN       ALA  19   7.868  -2.254   7.194
  141    HA   ALA  19           HA       ALA  19  10.038  -0.423   7.353
  142   1HB   ALA  19          1HB       ALA  19   9.118  -2.455   5.623
  143   2HB   ALA  19          2HB       ALA  19   9.081  -0.958   4.661
  144   3HB   ALA  19          3HB       ALA  19  10.593  -1.474   5.445
  145    H    HIS  20           HN       HIS  20   6.580  -0.262   6.532
  146    HA   HIS  20           HA       HIS  20   6.896   2.388   5.433
  147   1HB   HIS  20          2HB       HIS  20   4.771   0.326   5.541
  148   2HB   HIS  20          3HB       HIS  20   4.208   1.984   5.595
  149    HD1  HIS  20           HD1      HIS  20   7.271   0.996   3.589
  150    HD2  HIS  20           HD2      HIS  20   3.239   1.977   2.969
  151    HE1  HIS  20           HE1      HIS  20   6.987   1.295   1.072
  152    H    ALA  21           HN       ALA  21   5.217   0.791   8.230
  153    HA   ALA  21           HA       ALA  21   4.094   2.865   9.468
  154   1HB   ALA  21          1HB       ALA  21   5.524   0.404  10.384
  155   2HB   ALA  21          2HB       ALA  21   5.135   1.622  11.622
  156   3HB   ALA  21          3HB       ALA  21   3.836   0.907  10.638
  157    H    GLU  22           HN       GLU  22   7.582   2.287   9.064
  158    HA   GLU  22           HA       GLU  22   8.555   3.932  11.002
  159   1HB   GLU  22          2HB       GLU  22   9.659   3.545   8.185
  160   2HB   GLU  22          3HB       GLU  22  10.573   4.130   9.560
  161   1HG   GLU  22          2HG       GLU  22   9.302   1.697  10.395
  162   2HG   GLU  22          3HG       GLU  22   9.981   1.388   8.809
  163    H    LYS  23           HN       LYS  23   7.748   4.790   7.560
  164    HA   LYS  23           HA       LYS  23   8.046   7.594   8.211
  165   1HB   LYS  23          2HB       LYS  23   7.599   6.033   5.669
  166   2HB   LYS  23          3HB       LYS  23   7.388   7.771   5.712
  167   1HG   LYS  23          2HG       LYS  23   9.889   6.871   7.027
  168   2HG   LYS  23          3HG       LYS  23   9.812   6.443   5.329
  169   1HD   LYS  23          2HD       LYS  23   9.533   8.735   4.648
  170   2HD   LYS  23          3HD       LYS  23   9.142   9.257   6.275
  171   1HE   LYS  23          2HE       LYS  23  11.430   9.928   5.844
  172   2HE   LYS  23          3HE       LYS  23  11.492   8.604   6.990
  173   1HZ   LYS  23          1HZ       LYS  23  11.826   7.130   5.048
  174   2HZ   LYS  23          2HZ       LYS  23  11.979   8.451   4.101
  175   3HZ   LYS  23          3HZ       LYS  23  13.051   8.182   5.302
  176    H    LEU  24           HN       LEU  24   5.462   5.378   6.941
  177    HA   LEU  24           HA       LEU  24   3.406   7.171   6.913
  178   1HB   LEU  24          2HB       LEU  24   3.464   4.218   7.515
  179   2HB   LEU  24          3HB       LEU  24   1.971   5.122   7.365
  180    HG   LEU  24           HG       LEU  24   2.711   5.797   5.043
  181   1HD1  LEU  24          1HD       LEU  24   4.413   4.187   4.018
  182   2HD1  LEU  24          2HD       LEU  24   5.038   5.500   5.044
  183   3HD1  LEU  24          3HD       LEU  24   4.920   3.846   5.689
  184   1HD2  LEU  24          1HD       LEU  24   1.071   3.983   5.551
  185   2HD2  LEU  24          2HD       LEU  24   1.958   3.763   4.023
  186   3HD2  LEU  24          3HD       LEU  24   2.409   2.813   5.458
  187    H    GLY  25           HN       GLY  25   3.494   4.712   9.550
  188   1HA   GLY  25          1HA       GLY  25   3.851   5.483  11.843
  189   2HA   GLY  25          2HA       GLY  25   2.902   6.903  11.450
  190    H    CYS  26           HN       CYS  26   1.939   3.837   9.997
  191    HA   CYS  26           HA       CYS  26   0.256   2.467  10.344
  192   1HB   CYS  26          2HB       CYS  26  -0.291   3.408  13.125
  193   2HB   CYS  26          3HB       CYS  26  -0.380   1.794  12.447
  194    H    ASP  27           HN       ASP  27  -0.561   5.357  12.413
  195    HA   ASP  27           HA       ASP  27  -3.161   5.530  11.891
  196   1HB   ASP  27          2HB       ASP  27  -1.423   8.024  11.793
  197   2HB   ASP  27          3HB       ASP  27  -3.028   7.860  12.476
  198    H    ALA  28           HN       ALA  28  -0.431   6.278   9.735
  199    HA   ALA  28           HA       ALA  28  -1.614   7.941   7.892
  200   1HB   ALA  28          1HB       ALA  28   0.101   5.937   6.651
  201   2HB   ALA  28          2HB       ALA  28   0.396   7.673   6.916
  202   3HB   ALA  28          3HB       ALA  28   0.781   6.499   8.197
  203    H    CYS  29           HN       CYS  29  -1.909   4.402   8.363
  204    HA   CYS  29           HA       CYS  29  -3.777   4.371   6.108
  205   1HB   CYS  29          2HB       CYS  29  -2.352   2.031   7.389
  206   2HB   CYS  29          3HB       CYS  29  -3.414   1.968   5.997
  207    H    HIS  30           HN       HIS  30  -3.143   2.923   9.392
  208    HA   HIS  30           HA       HIS  30  -5.956   2.400   9.700
  209   1HB   HIS  30          2HB       HIS  30  -3.720   2.005  11.703
  210   2HB   HIS  30          3HB       HIS  30  -5.323   1.299  11.752
  211    HD1  HIS  30           HD1      HIS  30  -5.759  -0.811  10.346
  212    HD2  HIS  30           HD2      HIS  30  -1.958   0.857   9.740
  213    HE1  HIS  30           HE1      HIS  30  -4.430  -2.528   9.005
  214    H    GLU  31           HN       GLU  31  -6.589   2.934  12.281
  215    HA   GLU  31           HA       GLU  31  -5.705   5.307  13.324
  216   1HB   GLU  31          2HB       GLU  31  -6.546   6.434  11.328
  217   2HB   GLU  31          3HB       GLU  31  -8.103   5.640  11.472
  218   1HG   GLU  31          2HG       GLU  31  -7.720   6.867  13.989
  219   2HG   GLU  31          3HG       GLU  31  -7.107   8.042  12.843
  220    H    GLY  32           HN       GLY  32  -6.057   4.455  15.357
  221   1HA   GLY  32          1HA       GLY  32  -7.247   3.971  17.213
  222   2HA   GLY  32          2HA       GLY  32  -8.720   4.399  16.368
  223    H    THR  33           HN       THR  33  -6.396   1.781  17.067
  224    HA   THR  33           HA       THR  33  -6.669  -0.427  17.156
  225    HB   THR  33           HB       THR  33  -9.619   0.049  16.500
  226    HG1  THR  33           HG1      THR  33  -8.466   1.350  18.303
  227   1HG2  THR  33          1HG       THR  33  -8.207  -2.323  17.026
  228   2HG2  THR  33          2HG       THR  33  -8.831  -1.850  18.624
  229   3HG2  THR  33          3HG       THR  33  -9.955  -2.088  17.265
  230    HA   PRO  34           HA       PRO  34  -6.119  -0.944  12.837
  231   1HB   PRO  34          2HB       PRO  34  -4.081  -2.757  13.013
  232   2HB   PRO  34          3HB       PRO  34  -3.822  -1.024  12.980
  233   1HG   PRO  34          2HG       PRO  34  -3.651  -2.881  15.273
  234   2HG   PRO  34          3HG       PRO  34  -2.998  -1.262  15.122
  235   1HD   PRO  34          2HD       PRO  34  -5.343  -2.036  16.581
  236   2HD   PRO  34          3HD       PRO  34  -4.755  -0.404  16.332
  237    H    ALA  35           HN       ALA  35  -6.219  -2.761  11.253
  238    HA   ALA  35           HA       ALA  35  -7.104  -5.254  12.267
  239   1HB   ALA  35          1HB       ALA  35  -9.194  -4.343  12.769
  240   2HB   ALA  35          2HB       ALA  35  -9.131  -3.189  11.415
  241   3HB   ALA  35          3HB       ALA  35  -9.437  -4.913  11.100
  242    H    LYS  36           HN       LYS  36  -8.400  -6.322  10.113
  243    HA   LYS  36           HA       LYS  36  -6.326  -6.182   8.117
  244   1HB   LYS  36          2HB       LYS  36  -7.615  -8.094   7.118
  245   2HB   LYS  36          3HB       LYS  36  -7.007  -8.367   8.738
  246   1HG   LYS  36          2HG       LYS  36  -9.152  -8.149   9.730
  247   2HG   LYS  36          3HG       LYS  36  -9.801  -7.256   8.368
  248   1HD   LYS  36          2HD       LYS  36  -9.004  -9.709   7.236
  249   2HD   LYS  36          3HD       LYS  36  -9.662 -10.167   8.794
  250   1HE   LYS  36          2HE       LYS  36 -11.409  -8.172   7.638
  251   2HE   LYS  36          3HE       LYS  36 -11.095  -9.392   6.419
  252   1HZ   LYS  36          1HZ       LYS  36 -12.718  -9.593   8.659
  253   2HZ   LYS  36          2HZ       LYS  36 -12.465 -10.710   7.495
  254   3HZ   LYS  36          3HZ       LYS  36 -11.519 -10.690   8.826
  255    H    ILE  37           HN       ILE  37  -6.396  -4.470   6.744
  256    HA   ILE  37           HA       ILE  37  -8.897  -3.276   6.047
  257    HB   ILE  37           HB       ILE  37  -6.120  -2.799   4.958
  258   1HG1  ILE  37          2HG       ILE  37  -7.552  -1.317   7.180
  259   2HG1  ILE  37          3HG       ILE  37  -6.339  -2.552   7.449
  260   1HG2  ILE  37          1HG       ILE  37  -7.068  -0.549   4.396
  261   2HG2  ILE  37          2HG       ILE  37  -7.738  -1.899   3.449
  262   3HG2  ILE  37          3HG       ILE  37  -8.680  -1.194   4.784
  263   1HD1  ILE  37          1HD       ILE  37  -4.658  -1.086   7.049
  264   2HD1  ILE  37          2HD       ILE  37  -5.372  -0.620   5.487
  265   3HD1  ILE  37          3HD       ILE  37  -5.886   0.201   6.980
  266    H    ALA  38           HN       ALA  38  -9.408  -2.879   3.631
  267    HA   ALA  38           HA       ALA  38  -9.934  -5.351   2.459
  268   1HB   ALA  38          1HB       ALA  38 -10.619  -3.938   0.504
  269   2HB   ALA  38          2HB       ALA  38 -11.293  -3.372   2.051
  270   3HB   ALA  38          3HB       ALA  38  -9.907  -2.526   1.322
  271    H    ILE  39           HN       ILE  39  -8.759  -3.481  -0.096
  272    HA   ILE  39           HA       ILE  39  -7.018  -3.619  -1.449
  273    HB   ILE  39           HB       ILE  39  -5.583  -4.561   1.032
  274   1HG1  ILE  39          2HG       ILE  39  -6.430  -1.973   0.053
  275   2HG1  ILE  39          3HG       ILE  39  -5.740  -2.414   1.601
  276   1HG2  ILE  39          1HG       ILE  39  -3.512  -4.333  -0.099
  277   2HG2  ILE  39          2HG       ILE  39  -4.541  -5.358  -1.127
  278   3HG2  ILE  39          3HG       ILE  39  -4.291  -3.647  -1.544
  279   1HD1  ILE  39          1HD       ILE  39  -4.217  -0.847   0.568
  280   2HD1  ILE  39          2HD       ILE  39  -3.447  -2.449   0.480
  281   3HD1  ILE  39          3HD       ILE  39  -4.227  -1.757  -0.962
  282    H    ASP  40           HN       ASP  40  -6.461  -5.070  -3.053
  283    HA   ASP  40           HA       ASP  40  -5.741  -7.614  -2.823
  284   1HB   ASP  40          2HB       ASP  40  -8.506  -7.385  -2.033
  285   2HB   ASP  40          3HB       ASP  40  -8.469  -8.229  -3.569
  286    H    LYS  41           HN       LYS  41  -8.417  -5.724  -4.418
  287    HA   LYS  41           HA       LYS  41  -7.047  -6.123  -6.970
  288   1HB   LYS  41          2HB       LYS  41 -10.019  -6.547  -6.528
  289   2HB   LYS  41          3HB       LYS  41  -9.202  -6.563  -8.078
  290   1HG   LYS  41          2HG       LYS  41  -7.773  -8.340  -6.304
  291   2HG   LYS  41          3HG       LYS  41  -9.480  -8.721  -6.188
  292   1HD   LYS  41          2HD       LYS  41  -9.477  -8.651  -8.805
  293   2HD   LYS  41          3HD       LYS  41  -7.730  -8.717  -8.675
  294   1HE   LYS  41          2HE       LYS  41  -7.965 -10.813  -7.261
  295   2HE   LYS  41          3HE       LYS  41  -9.694 -10.767  -7.544
  296   1HZ   LYS  41          1HZ       LYS  41  -8.947 -10.652  -9.997
  297   2HZ   LYS  41          2HZ       LYS  41  -7.558 -11.305  -9.437
  298   3HZ   LYS  41          3HZ       LYS  41  -8.974 -12.090  -9.224
  299    H    LYS  42           HN       LYS  42  -9.890  -4.773  -7.795
  300    HA   LYS  42           HA       LYS  42  -9.005  -2.324  -8.398
  301   1HB   LYS  42          2HB       LYS  42 -11.217  -3.377  -8.981
  302   2HB   LYS  42          3HB       LYS  42 -11.813  -2.886  -7.408
  303   1HG   LYS  42          2HG       LYS  42 -11.682  -0.578  -7.924
  304   2HG   LYS  42          3HG       LYS  42 -10.500  -0.823  -9.195
  305   1HD   LYS  42          2HD       LYS  42 -12.730  -2.329 -10.044
  306   2HD   LYS  42          3HD       LYS  42 -13.440  -0.888  -9.344
  307   1HE   LYS  42          2HE       LYS  42 -12.891   0.281 -11.208
  308   2HE   LYS  42          3HE       LYS  42 -11.192  -0.003 -10.882
  309   1HZ   LYS  42          1HZ       LYS  42 -11.289  -1.144 -12.768
  310   2HZ   LYS  42          2HZ       LYS  42 -11.977  -2.342 -11.899
  311   3HZ   LYS  42          3HZ       LYS  42 -12.913  -1.308 -12.746
  312    H    SER  43           HN       SER  43  -9.887  -3.520  -5.177
  313    HA   SER  43           HA       SER  43 -10.266  -1.133  -3.903
  314   1HB   SER  43          2HB       SER  43  -9.205  -3.828  -3.032
  315   2HB   SER  43          3HB       SER  43  -9.201  -2.499  -1.890
  316    HG   SER  43           HG       SER  43 -11.588  -3.114  -3.369
  317    H    ALA  44           HN       ALA  44  -7.185  -3.081  -4.042
  318    HA   ALA  44           HA       ALA  44  -5.582  -1.122  -2.896
  319   1HB   ALA  44          1HB       ALA  44  -4.626  -3.112  -4.968
  320   2HB   ALA  44          2HB       ALA  44  -3.791  -2.531  -3.507
  321   3HB   ALA  44          3HB       ALA  44  -5.171  -3.645  -3.359
  322    H    HIS  45           HN       HIS  45  -7.174  -1.212  -5.957
  323    HA   HIS  45           HA       HIS  45  -5.225   0.592  -7.141
  324   1HB   HIS  45          2HB       HIS  45  -7.496  -1.067  -8.187
  325   2HB   HIS  45          3HB       HIS  45  -6.977   0.337  -9.098
  326    HD1  HIS  45           HD1      HIS  45  -6.359  -1.667 -10.887
  327    HD2  HIS  45           HD2      HIS  45  -3.930  -1.312  -7.484
  328    HE1  HIS  45           HE1      HIS  45  -4.206  -2.932 -11.410
  329    H    LYS  46           HN       LYS  46  -7.818   0.753  -5.042
  330    HA   LYS  46           HA       LYS  46  -8.728   3.308  -6.161
  331   1HB   LYS  46          2HB       LYS  46 -10.143   1.065  -5.117
  332   2HB   LYS  46          3HB       LYS  46 -10.368   2.391  -3.995
  333   1HG   LYS  46          2HG       LYS  46 -10.697   3.737  -6.354
  334   2HG   LYS  46          3HG       LYS  46 -11.242   2.148  -6.851
  335   1HD   LYS  46          2HD       LYS  46 -13.255   2.832  -5.990
  336   2HD   LYS  46          3HD       LYS  46 -12.555   2.352  -4.457
  337   1HE   LYS  46          2HE       LYS  46 -11.567   4.830  -4.463
  338   2HE   LYS  46          3HE       LYS  46 -12.855   5.134  -5.613
  339   1HZ   LYS  46          1HZ       LYS  46 -13.221   3.988  -2.931
  340   2HZ   LYS  46          2HZ       LYS  46 -13.569   5.524  -3.365
  341   3HZ   LYS  46          3HZ       LYS  46 -14.418   4.283  -4.001
  342    H    ASP  47           HN       ASP  47  -9.808   4.343  -3.723
  343    HA   ASP  47           HA       ASP  47  -7.761   5.774  -2.785
  344   1HB   ASP  47          2HB       ASP  47 -10.354   4.842  -1.547
  345   2HB   ASP  47          3HB       ASP  47  -9.228   5.721  -0.532
  346    H    ALA  48           HN       ALA  48  -8.611   2.417  -2.069
  347    HA   ALA  48           HA       ALA  48  -7.655   1.885   0.372
  348   1HB   ALA  48          1HB       ALA  48  -7.440  -0.315  -0.359
  349   2HB   ALA  48          2HB       ALA  48  -8.484   0.372  -1.627
  350   3HB   ALA  48          3HB       ALA  48  -6.741   0.162  -1.925
  351    H    CYS  49           HN       CYS  49  -5.588   2.075  -2.617
  352    HA   CYS  49           HA       CYS  49  -3.314   2.466  -0.816
  353   1HB   CYS  49          2HB       CYS  49  -3.420   0.518  -2.521
  354   2HB   CYS  49          3HB       CYS  49  -3.095   1.746  -3.728
  355    H    LYS  50           HN       LYS  50  -4.195   3.323  -4.247
  356    HA   LYS  50           HA       LYS  50  -2.725   5.594  -4.451
  357   1HB   LYS  50          2HB       LYS  50  -5.392   4.866  -5.682
  358   2HB   LYS  50          3HB       LYS  50  -4.490   6.294  -6.147
  359   1HG   LYS  50          2HG       LYS  50  -2.681   4.024  -6.104
  360   2HG   LYS  50          3HG       LYS  50  -4.099   3.594  -7.038
  361   1HD   LYS  50          2HD       LYS  50  -3.836   5.681  -8.397
  362   2HD   LYS  50          3HD       LYS  50  -2.415   6.108  -7.464
  363   1HE   LYS  50          2HE       LYS  50  -1.333   5.022  -9.193
  364   2HE   LYS  50          3HE       LYS  50  -1.655   3.615  -8.200
  365   1HZ   LYS  50          1HZ       LYS  50  -3.599   3.174  -9.470
  366   2HZ   LYS  50          2HZ       LYS  50  -3.457   4.564 -10.317
  367   3HZ   LYS  50          3HZ       LYS  50  -2.358   3.372 -10.512
  368    H    THR  51           HN       THR  51  -2.575   6.974  -2.702
  369    HA   THR  51           HA       THR  51  -4.511   8.946  -2.412
  370    HB   THR  51           HB       THR  51  -5.496   6.672  -1.272
  371    HG1  THR  51           HG1      THR  51  -5.480   9.412  -0.212
  372   1HG2  THR  51          1HG       THR  51  -5.166   6.742   1.143
  373   2HG2  THR  51          2HG       THR  51  -3.548   6.641   0.407
  374   3HG2  THR  51          3HG       THR  51  -4.154   8.201   1.014
  375    H    CYS  52           HN       CYS  52  -1.993   7.005  -0.711
  376    HA   CYS  52           HA       CYS  52  -0.802   9.577   0.037
  377   1HB   CYS  52          2HB       CYS  52  -1.574   8.542   2.038
  378   2HB   CYS  52          3HB       CYS  52  -0.907   6.987   1.582
  379    H    HIS  53           HN       HIS  53  -0.114   8.945  -2.411
  380    HA   HIS  53           HA       HIS  53   2.540   7.831  -2.121
  381   1HB   HIS  53          2HB       HIS  53   0.340   6.418  -3.400
  382   2HB   HIS  53          3HB       HIS  53   1.642   6.722  -4.533
  383    HD1  HIS  53           HD1      HIS  53   1.873   4.011  -4.414
  384    HD2  HIS  53           HD2      HIS  53   3.015   6.147  -0.989
  385    HE1  HIS  53           HE1      HIS  53   3.285   2.414  -3.013
  386    H    LYS  54           HN       LYS  54   0.022   9.328  -4.236
  387    HA   LYS  54           HA       LYS  54   1.837  10.345  -6.114
  388   1HB   LYS  54          2HB       LYS  54  -0.957  11.249  -5.357
  389   2HB   LYS  54          3HB       LYS  54  -0.076  11.802  -6.766
  390   1HG   LYS  54          2HG       LYS  54  -0.456   9.862  -7.920
  391   2HG   LYS  54          3HG       LYS  54  -0.102   8.854  -6.531
  392   1HD   LYS  54          2HD       LYS  54  -2.345   8.420  -6.516
  393   2HD   LYS  54          3HD       LYS  54  -2.492   9.984  -5.740
  394   1HE   LYS  54          2HE       LYS  54  -2.327  10.076  -8.721
  395   2HE   LYS  54          3HE       LYS  54  -3.761   9.293  -8.086
  396   1HZ   LYS  54          1HZ       LYS  54  -2.846  12.026  -7.591
  397   2HZ   LYS  54          2HZ       LYS  54  -4.278  11.530  -8.198
  398   3HZ   LYS  54          3HZ       LYS  54  -3.944  11.313  -6.615
  399    H    SER  55           HN       SER  55   3.595  11.083  -4.682
  400    HA   SER  55           HA       SER  55   3.347  13.861  -4.271
  401   1HB   SER  55          2HB       SER  55   2.725  12.170  -2.031
  402   2HB   SER  55          3HB       SER  55   4.273  12.920  -1.701
  403    HG   SER  55           HG       SER  55   1.750  14.043  -1.692
  404    H    ASN  56           HN       ASN  56   5.182  10.920  -3.149
  405    HA   ASN  56           HA       ASN  56   7.586  12.296  -4.060
  406   1HB   ASN  56          2HB       ASN  56   7.110  10.298  -1.804
  407   2HB   ASN  56          3HB       ASN  56   8.718  10.540  -2.456
  408   1HD2  ASN  56          1HD       ASN  56   6.423  11.579  -0.258
  409   2HD2  ASN  56          2HD       ASN  56   7.112  13.094   0.223
  410    H    ASN  57           HN       ASN  57   6.238   8.967  -3.379
  411    HA   ASN  57           HA       ASN  57   7.957   7.674  -5.121
  412   1HB   ASN  57          2HB       ASN  57   5.740   7.006  -3.388
  413   2HB   ASN  57          3HB       ASN  57   5.429   6.257  -4.942
  414   1HD2  ASN  57          1HD       ASN  57   6.180   4.305  -5.161
  415   2HD2  ASN  57          2HD       ASN  57   7.589   3.625  -4.421
  416    H    GLY  58           HN       GLY  58   4.351   8.182  -5.432
  417   1HA   GLY  58          1HA       GLY  58   3.018   8.425  -7.224
  418   2HA   GLY  58          2HA       GLY  58   4.314   9.377  -7.921
  419    HA   PRO  59           HA       PRO  59   4.456   4.884  -9.512
  420   1HB   PRO  59          2HB       PRO  59   2.023   3.663  -9.753
  421   2HB   PRO  59          3HB       PRO  59   3.113   3.370  -8.414
  422   1HG   PRO  59          2HG       PRO  59   0.625   4.966  -8.462
  423   2HG   PRO  59          3HG       PRO  59   1.485   4.315  -7.081
  424   1HD   PRO  59          2HD       PRO  59   1.489   7.041  -7.976
  425   2HD   PRO  59          3HD       PRO  59   2.438   6.366  -6.666
  426    H    THR  60           HN       THR  60   1.214   5.054 -10.670
  427    HA   THR  60           HA       THR  60   0.367   5.675 -12.631
  428    HB   THR  60           HB       THR  60   2.845   7.450 -12.920
  429    HG1  THR  60           HG1      THR  60   1.140   8.937 -11.852
  430   1HG2  THR  60          1HG       THR  60   0.941   8.973 -13.887
  431   2HG2  THR  60          2HG       THR  60   1.552   7.663 -14.926
  432   3HG2  THR  60          3HG       THR  60   0.014   7.463 -14.051
  433    H    LYS  61           HN       LYS  61   3.964   5.417 -13.057
  434    HA   LYS  61           HA       LYS  61   3.603   4.143 -15.584
  435   1HB   LYS  61          2HB       LYS  61   6.197   4.076 -14.089
  436   2HB   LYS  61          3HB       LYS  61   5.895   4.298 -15.801
  437   1HG   LYS  61          2HG       LYS  61   4.614   6.513 -14.781
  438   2HG   LYS  61          3HG       LYS  61   5.889   6.313 -13.595
  439   1HD   LYS  61          2HD       LYS  61   7.472   6.058 -15.694
  440   2HD   LYS  61          3HD       LYS  61   6.151   6.795 -16.580
  441   1HE   LYS  61          2HE       LYS  61   6.177   8.727 -14.958
  442   2HE   LYS  61          3HE       LYS  61   7.542   7.998 -14.137
  443   1HZ   LYS  61          1HZ       LYS  61   8.492   9.434 -15.631
  444   2HZ   LYS  61          2HZ       LYS  61   8.594   8.018 -16.439
  445   3HZ   LYS  61          3HZ       LYS  61   7.439   9.103 -16.835
  446    H    CYS  62           HN       CYS  62   2.920   3.104 -12.521
  447    HA   CYS  62           HA       CYS  62   2.327   1.063 -11.863
  448   1HB   CYS  62          2HB       CYS  62   2.731   0.541 -14.542
  449   2HB   CYS  62          3HB       CYS  62   3.833  -0.580 -13.766
  450    H    GLY  63           HN       GLY  63   5.662   1.145 -13.321
  451   1HA   GLY  63          1HA       GLY  63   7.056  -0.522 -11.746
  452   2HA   GLY  63          2HA       GLY  63   7.682   1.018 -12.302
  453    H    GLY  64           HN       GLY  64   5.509   2.519 -10.741
  454   1HA   GLY  64          1HA       GLY  64   6.796   3.432  -8.609
  455   2HA   GLY  64          2HA       GLY  64   5.060   3.197  -8.612
  456    H    CYS  65           HN       CYS  65   4.381   0.739  -8.206
  457    HA   CYS  65           HA       CYS  65   6.067  -0.207  -6.003
  458   1HB   CYS  65          2HB       CYS  65   3.891  -1.185  -5.112
  459   2HB   CYS  65          3HB       CYS  65   4.146   0.542  -4.948
  460    H    HIS  66           HN       HIS  66   3.569  -1.159  -8.474
  461    HA   HIS  66           HA       HIS  66   4.161  -3.887  -8.346
  462   1HB   HIS  66          2HB       HIS  66   2.628  -2.077 -10.147
  463   2HB   HIS  66          3HB       HIS  66   3.088  -3.635 -10.803
  464    HD1  HIS  66           HD1      HIS  66   2.393  -3.581  -7.139
  465    HD2  HIS  66           HD2      HIS  66   0.297  -4.335 -10.693
  466    HE1  HIS  66           HE1      HIS  66   0.220  -4.731  -6.457
  467    H    ILE  67           HN       ILE  67   6.037  -4.873  -8.883
  468    HA   ILE  67           HA       ILE  67   8.109  -3.611 -10.207
  469    HB   ILE  67           HB       ILE  67   8.144  -5.640  -8.701
  470   1HG1  ILE  67          2HG       ILE  67   9.745  -5.859 -11.265
  471   2HG1  ILE  67          3HG       ILE  67  10.092  -4.712  -9.986
  472   1HG2  ILE  67          1HG       ILE  67   7.603  -7.736  -9.417
  473   2HG2  ILE  67          2HG       ILE  67   6.416  -6.793 -10.351
  474   3HG2  ILE  67          3HG       ILE  67   7.913  -7.359 -11.129
  475   1HD1  ILE  67          1HD       ILE  67   9.779  -7.247  -8.707
  476   2HD1  ILE  67          2HD       ILE  67  10.801  -7.516 -10.139
  477   3HD1  ILE  67          3HD       ILE  67  11.280  -6.313  -8.918
  478    H    LYS  68           HN       LYS  68   7.830  -2.677 -12.186
  479    HA   LYS  68           HA       LYS  68   7.402  -4.465 -14.392
  480   1HB   LYS  68          2HB       LYS  68   5.114  -3.379 -13.367
  481   2HB   LYS  68          3HB       LYS  68   5.559  -2.157 -14.542
  482   1HG   LYS  68          2HG       LYS  68   5.765  -5.016 -15.442
  483   2HG   LYS  68          3HG       LYS  68   4.146  -4.392 -15.192
  484   1HD   LYS  68          2HD       LYS  68   4.837  -2.375 -16.649
  485   2HD   LYS  68          3HD       LYS  68   6.286  -3.271 -17.053
  486   1HE   LYS  68          2HE       LYS  68   4.992  -4.076 -18.775
  487   2HE   LYS  68          3HE       LYS  68   4.429  -5.206 -17.560
  488   1HZ   LYS  68          1HZ       LYS  68   2.490  -4.330 -18.286
  489   2HZ   LYS  68          2HZ       LYS  68   2.779  -3.286 -17.064
  490   3HZ   LYS  68          3HZ       LYS  68   3.101  -2.850 -18.604
  491    HHA  HEC  98           HGM      HEC  98  -4.497  -5.482   8.114
  492    HHB  HEC  98           HDM      HEC  98  -1.838  -3.363  13.349
  493    HHC  HEC  98           HAM      HEC  98   1.510   0.729   9.863
  494    HHD  HEC  98           HBM      HEC  98  -1.584  -1.196   4.810
  495   1HMA  HEC  98          1HM       HEC  98  -3.883  -6.690  13.144
  496   2HMA  HEC  98          2HM       HEC  98  -2.260  -6.069  13.527
  497   3HMA  HEC  98          3HM       HEC  98  -3.696  -5.078  13.873
  498   1HAA  HEC  98          1HA       HEC  98  -4.821  -7.326  11.322
  499   2HAA  HEC  98          2HA       HEC  98  -5.396  -6.579   9.812
  500   1HBA  HEC  98          3HB       HEC  98  -4.330  -8.297   8.708
  501   2HBA  HEC  98          4HB       HEC  98  -2.802  -7.505   9.160
  502   1HMB  HEC  98          1HM       HEC  98   0.509  -1.678  14.921
  503   2HMB  HEC  98          2HM       HEC  98  -0.672  -0.353  14.808
  504   3HMB  HEC  98          3HM       HEC  98  -1.216  -2.043  14.682
  505    HAB  HEC  98           HT2      HEC  98   2.000   1.098  11.781
  506   1HBB  HEC  98          1HT       HEC  98   3.816   0.544  12.800
  507   2HBB  HEC  98          2HT       HEC  98   2.984  -0.158  14.208
  508   3HBB  HEC  98          3HT       HEC  98   3.107  -1.085  12.693
  509   1HMC  HEC  98          1HM       HEC  98   2.811   1.627   6.975
  510   2HMC  HEC  98          2HM       HEC  98   1.550   2.852   7.246
  511   3HMC  HEC  98          3HM       HEC  98   2.234   1.960   8.625
  512    HAC  HEC  98           HT4      HEC  98  -0.905   0.914   4.474
  513   1HBC  HEC  98          1HT       HEC  98   1.149  -0.087   3.673
  514   2HBC  HEC  98          2HT       HEC  98   1.105   1.602   3.113
  515   3HBC  HEC  98          3HT       HEC  98   2.132   1.150   4.494
  516   1HMD  HEC  98          1HM       HEC  98  -3.999  -3.467   3.180
  517   2HMD  HEC  98          2HM       HEC  98  -3.720  -1.741   3.509
  518   3HMD  HEC  98          3HM       HEC  98  -2.345  -2.810   3.143
  519   1HAD  HEC  98          1HA       HEC  98  -4.731  -6.025   5.910
  520   2HAD  HEC  98          2HA       HEC  98  -5.405  -4.864   4.741
  521   1HBD  HEC  98          3HB       HEC  98  -2.917  -5.308   3.711
  522   2HBD  HEC  98          4HB       HEC  98  -3.318  -6.895   4.412
  523    HHA  HEC 128           HGM      HEC 128   8.164   3.206  -1.035
  524    HHB  HEC 128           HDM      HEC 128   3.699  -0.701  -2.976
  525    HHC  HEC 128           HAM      HEC 128  -0.366   2.173   0.939
  526    HHD  HEC 128           HBM      HEC 128   4.095   6.268   2.406
  527   1HMA  HEC 128          1HM       HEC 128   7.231  -0.943  -4.158
  528   2HMA  HEC 128          2HM       HEC 128   6.751  -1.963  -2.782
  529   3HMA  HEC 128          3HM       HEC 128   5.518  -1.361  -3.915
  530   1HAA  HEC 128          1HA       HEC 128   8.940   1.235  -3.274
  531   2HAA  HEC 128          2HA       HEC 128   9.214   1.596  -1.553
  532   1HBA  HEC 128          3HB       HEC 128   8.716  -1.038  -1.267
  533   2HBA  HEC 128          4HB       HEC 128   9.222  -1.093  -2.972
  534   1HMB  HEC 128          1HM       HEC 128  -0.016  -1.093  -3.341
  535   2HMB  HEC 128          2HM       HEC 128   1.652  -0.891  -3.924
  536   3HMB  HEC 128          3HM       HEC 128   1.275  -2.155  -2.730
  537    HAB  HEC 128           HT2      HEC 128  -1.373   0.623   0.113
  538   1HBB  HEC 128          1HT       HEC 128  -0.392  -1.990  -0.363
  539   2HBB  HEC 128          2HT       HEC 128  -1.588  -1.362   0.798
  540   3HBB  HEC 128          3HT       HEC 128  -2.097  -1.824  -0.843
  541   1HMC  HEC 128          1HM       HEC 128  -1.134   3.135   2.840
  542   2HMC  HEC 128          2HM       HEC 128  -1.080   4.834   3.365
  543   3HMC  HEC 128          3HM       HEC 128  -1.582   4.430   1.707
  544    HAC  HEC 128           HT4      HEC 128   2.234   7.034   3.219
  545   1HBC  HEC 128          1HT       HEC 128  -0.551   7.031   4.120
  546   2HBC  HEC 128          2HT       HEC 128   0.305   5.549   4.614
  547   3HBC  HEC 128          3HT       HEC 128   0.952   7.143   5.069
  548   1HMD  HEC 128          1HM       HEC 128   7.075   6.925   3.149
  549   2HMD  HEC 128          2HM       HEC 128   7.122   7.867   1.641
  550   3HMD  HEC 128          3HM       HEC 128   5.574   7.608   2.479
  551   1HAD  HEC 128          1HA       HEC 128   9.048   5.686   1.888
  552   2HAD  HEC 128          2HA       HEC 128   9.338   4.476   0.616
  553   1HBD  HEC 128          3HB       HEC 128   9.556   6.033  -1.008
  554   2HBD  HEC 128          4HB       HEC 128   8.387   7.146  -0.257
  555    HHA  HEC 158           HGM      HEC 158  -3.609  -6.998  -6.953
  556    HHB  HEC 158           HDM      HEC 158  -2.599  -5.425 -12.909
  557    HHC  HEC 158           HAM      HEC 158  -0.230   0.106 -10.934
  558    HHD  HEC 158           HBM      HEC 158  -0.886  -1.826  -5.048
  559   1HMA  HEC 158          1HM       HEC 158  -4.319  -6.854 -12.948
  560   2HMA  HEC 158          2HM       HEC 158  -3.607  -8.369 -12.344
  561   3HMA  HEC 158          3HM       HEC 158  -5.280  -7.940 -11.917
  562   1HAA  HEC 158          1HA       HEC 158  -4.859  -8.120  -7.875
  563   2HAA  HEC 158          2HA       HEC 158  -5.876  -8.226  -9.331
  564   1HBA  HEC 158          3HB       HEC 158  -3.367  -9.356 -10.091
  565   2HBA  HEC 158          4HB       HEC 158  -3.702 -10.014  -8.472
  566   1HMB  HEC 158          1HM       HEC 158  -0.335  -4.259 -14.669
  567   2HMB  HEC 158          2HM       HEC 158  -2.105  -4.444 -14.665
  568   3HMB  HEC 158          3HM       HEC 158  -1.368  -2.964 -15.321
  569    HAB  HEC 158           HT2      HEC 158   0.617  -0.494 -13.335
  570   1HBB  HEC 158          1HT       HEC 158  -2.003   0.542 -12.767
  571   2HBB  HEC 158          2HT       HEC 158  -0.375   1.246 -12.612
  572   3HBB  HEC 158          3HT       HEC 158  -1.204   1.257 -14.187
  573   1HMC  HEC 158          1HM       HEC 158   1.465   1.932  -8.381
  574   2HMC  HEC 158          2HM       HEC 158   0.953   1.449 -10.016
  575   3HMC  HEC 158          3HM       HEC 158  -0.152   2.377  -8.975
  576    HAC  HEC 158           HT4      HEC 158   0.266   0.033  -4.991
  577   1HBC  HEC 158          1HT       HEC 158  -0.358   2.326  -6.061
  578   2HBC  HEC 158          2HT       HEC 158   0.839   2.304  -4.745
  579   3HBC  HEC 158          3HT       HEC 158   1.377   2.455  -6.435
  580   1HMD  HEC 158          1HM       HEC 158  -0.774  -4.122  -2.925
  581   2HMD  HEC 158          2HM       HEC 158  -1.457  -2.512  -3.255
  582   3HMD  HEC 158          3HM       HEC 158  -2.503  -3.815  -2.639
  583   1HAD  HEC 158          1HA       HEC 158  -3.331  -5.681  -3.137
  584   2HAD  HEC 158          2HA       HEC 158  -4.544  -6.025  -4.393
  585   1HBD  HEC 158          3HB       HEC 158  -3.696  -8.109  -3.734
  586   2HBD  HEC 158          4HB       HEC 158  -2.907  -7.750  -5.289
  Start of MODEL   18
    1    H    ALA   1           HN       ALA   1   0.167  -5.046   5.989
    2    HA   ALA   1           HA       ALA   1  -0.311  -6.957   7.886
    3   1HB   ALA   1          1HB       ALA   1   0.478  -7.053   4.966
    4   2HB   ALA   1          2HB       ALA   1   0.176  -8.546   5.886
    5   3HB   ALA   1          3HB       ALA   1  -1.116  -7.336   5.705
    6    H    ASP   2           HN       ASP   2   2.084  -5.608   8.710
    7    HA   ASP   2           HA       ASP   2   4.062  -5.988   9.513
    8   1HB   ASP   2          2HB       ASP   2   2.673  -8.565   9.673
    9   2HB   ASP   2          3HB       ASP   2   4.401  -8.808   9.520
   10    H    VAL   3           HN       VAL   3   3.894  -5.655   6.647
   11    HA   VAL   3           HA       VAL   3   5.156  -5.799   4.838
   12    HB   VAL   3           HB       VAL   3   7.036  -7.107   6.798
   13   1HG1  VAL   3          1HG       VAL   3   7.357  -7.912   4.393
   14   2HG1  VAL   3          2HG       VAL   3   7.815  -6.236   4.007
   15   3HG1  VAL   3          3HG       VAL   3   8.767  -7.169   5.186
   16   1HG2  VAL   3          1HG       VAL   3   7.595  -4.514   5.426
   17   2HG2  VAL   3          2HG       VAL   3   6.328  -4.532   6.676
   18   3HG2  VAL   3          3HG       VAL   3   7.984  -5.046   7.081
   19    H    VAL   4           HN       VAL   4   4.202  -6.994   3.273
   20    HA   VAL   4           HA       VAL   4   4.558  -9.898   3.452
   21    HB   VAL   4           HB       VAL   4   2.032  -8.457   2.623
   22   1HG1  VAL   4          1HG       VAL   4   2.886 -11.340   2.592
   23   2HG1  VAL   4          2HG       VAL   4   1.174 -10.923   2.844
   24   3HG1  VAL   4          3HG       VAL   4   2.008 -10.402   1.361
   25   1HG2  VAL   4          1HG       VAL   4   2.849  -9.816   5.186
   26   2HG2  VAL   4          2HG       VAL   4   2.034  -8.251   4.945
   27   3HG2  VAL   4          3HG       VAL   4   1.141  -9.769   4.686
   28    H    THR   5           HN       THR   5   4.398 -10.967   1.281
   29    HA   THR   5           HA       THR   5   4.977  -9.096  -0.908
   30    HB   THR   5           HB       THR   5   6.564 -11.610  -0.161
   31    HG1  THR   5           HG1      THR   5   7.244  -9.923   1.184
   32   1HG2  THR   5          1HG       THR   5   7.910 -11.207  -2.036
   33   2HG2  THR   5          2HG       THR   5   6.342 -10.678  -2.691
   34   3HG2  THR   5          3HG       THR   5   7.502  -9.475  -2.079
   35    H    TYR   6           HN       TYR   6   3.554  -9.359  -2.498
   36    HA   TYR   6           HA       TYR   6   2.300 -12.003  -2.728
   37   1HB   TYR   6          2HB       TYR   6   1.606  -9.085  -3.272
   38   2HB   TYR   6          3HB       TYR   6   0.797 -10.300  -4.242
   39    HD1  TYR   6           HD1      TYR   6  -1.425 -10.264  -3.498
   40    HD2  TYR   6           HD2      TYR   6   1.737 -10.437  -0.621
   41    HE1  TYR   6           HE1      TYR   6  -3.125 -10.608  -1.639
   42    HE2  TYR   6           HE2      TYR   6   0.027 -10.780   1.228
   43    HH   TYR   6           HH       TYR   6  -2.396 -10.200   1.566
   44    H    GLU   7           HN       GLU   7   3.638 -13.168  -4.105
   45    HA   GLU   7           HA       GLU   7   4.791 -11.886  -6.357
   46   1HB   GLU   7          2HB       GLU   7   4.621 -14.835  -5.592
   47   2HB   GLU   7          3HB       GLU   7   5.596 -14.203  -6.905
   48   1HG   GLU   7          2HG       GLU   7   7.225 -13.454  -5.489
   49   2HG   GLU   7          3HG       GLU   7   6.063 -12.743  -4.385
   50    H    ASN   8           HN       ASN   8   3.626 -11.348  -8.149
   51    HA   ASN   8           HA       ASN   8   1.395 -13.102  -8.801
   52   1HB   ASN   8          2HB       ASN   8   1.933 -10.146  -9.217
   53   2HB   ASN   8          3HB       ASN   8   0.861 -10.964 -10.336
   54   1HD2  ASN   8          1HD       ASN   8   0.700  -8.990  -7.933
   55   2HD2  ASN   8          2HD       ASN   8  -0.668  -9.545  -7.027
   56    H    LYS   9           HN       LYS   9   0.958 -12.856 -11.412
   57    HA   LYS   9           HA       LYS   9   3.366 -13.825 -12.631
   58   1HB   LYS   9          2HB       LYS   9   0.566 -14.144 -13.003
   59   2HB   LYS   9          3HB       LYS   9   1.200 -13.467 -14.489
   60   1HG   LYS   9          2HG       LYS   9   1.489 -15.795 -14.799
   61   2HG   LYS   9          3HG       LYS   9   3.082 -15.265 -14.299
   62   1HD   LYS   9          2HD       LYS   9   2.749 -16.057 -12.039
   63   2HD   LYS   9          3HD       LYS   9   1.027 -16.270 -12.287
   64   1HE   LYS   9          2HE       LYS   9   1.603 -18.016 -14.080
   65   2HE   LYS   9          3HE       LYS   9   3.273 -17.897 -13.563
   66   1HZ   LYS   9          1HZ       LYS   9   1.637 -18.220 -11.325
   67   2HZ   LYS   9          2HZ       LYS   9   1.272 -19.386 -12.410
   68   3HZ   LYS   9          3HZ       LYS   9   2.807 -19.214 -11.882
   69    H    LYS  10           HN       LYS  10   1.200 -10.951 -12.913
   70    HA   LYS  10           HA       LYS  10   3.047  -9.798 -14.837
   71   1HB   LYS  10          2HB       LYS  10   0.320  -8.956 -13.822
   72   2HB   LYS  10          3HB       LYS  10   1.289  -7.977 -14.906
   73   1HG   LYS  10          2HG       LYS  10   1.025 -10.816 -15.755
   74   2HG   LYS  10          3HG       LYS  10  -0.494  -9.944 -15.710
   75   1HD   LYS  10          2HD       LYS  10   1.920  -8.665 -17.026
   76   2HD   LYS  10          3HD       LYS  10   1.007  -9.881 -17.897
   77   1HE   LYS  10          2HE       LYS  10  -1.086  -8.554 -17.572
   78   2HE   LYS  10          3HE       LYS  10  -0.188  -7.344 -16.676
   79   1HZ   LYS  10          1HZ       LYS  10  -0.470  -7.560 -19.417
   80   2HZ   LYS  10          2HZ       LYS  10   0.368  -6.433 -18.583
   81   3HZ   LYS  10          3HZ       LYS  10   1.113  -7.796 -19.088
   82    H    GLY  11           HN       GLY  11   4.466 -10.178 -12.595
   83   1HA   GLY  11          1HA       GLY  11   5.961  -8.582 -11.653
   84   2HA   GLY  11          2HA       GLY  11   4.630  -7.460 -11.459
   85    H    ASN  12           HN       ASN  12   4.572  -7.149  -9.240
   86    HA   ASN  12           HA       ASN  12   3.315  -9.022  -7.691
   87   1HB   ASN  12          2HB       ASN  12   5.127  -9.761  -6.154
   88   2HB   ASN  12          3HB       ASN  12   5.457 -10.304  -7.788
   89   1HD2  ASN  12          1HD       ASN  12   7.313  -9.933  -5.641
   90   2HD2  ASN  12          2HD       ASN  12   8.486  -8.755  -6.129
   91    H    VAL  13           HN       VAL  13   2.581  -7.903  -5.818
   92    HA   VAL  13           HA       VAL  13   3.806  -5.270  -5.393
   93    HB   VAL  13           HB       VAL  13   1.505  -5.220  -6.163
   94   1HG1  VAL  13          1HG       VAL  13   0.896  -6.914  -3.718
   95   2HG1  VAL  13          2HG       VAL  13  -0.325  -6.131  -4.749
   96   3HG1  VAL  13          3HG       VAL  13   0.730  -7.397  -5.423
   97   1HG2  VAL  13          1HG       VAL  13   2.441  -3.622  -4.365
   98   2HG2  VAL  13          2HG       VAL  13   0.677  -3.673  -4.606
   99   3HG2  VAL  13          3HG       VAL  13   1.412  -4.524  -3.226
  100    H    THR  14           HN       THR  14   5.014  -5.035  -3.589
  101    HA   THR  14           HA       THR  14   4.578  -6.985  -1.432
  102    HB   THR  14           HB       THR  14   7.001  -5.339  -2.321
  103    HG1  THR  14           HG1      THR  14   6.075  -8.111  -2.248
  104   1HG2  THR  14          1HG       THR  14   8.094  -5.901  -0.381
  105   2HG2  THR  14          2HG       THR  14   6.476  -6.179   0.308
  106   3HG2  THR  14          3HG       THR  14   7.396  -7.539  -0.382
  107    H    PHE  15           HN       PHE  15   3.210  -6.234   0.070
  108    HA   PHE  15           HA       PHE  15   2.804  -3.484   0.491
  109   1HB   PHE  15          2HB       PHE  15   2.304  -5.840   2.399
  110   2HB   PHE  15          3HB       PHE  15   1.385  -4.348   2.328
  111    HD1  PHE  15           HD1      PHE  15   0.100  -7.002   2.250
  112    HD2  PHE  15           HD2      PHE  15   1.579  -4.587  -0.911
  113    HE1  PHE  15           HE1      PHE  15  -1.524  -8.079   0.667
  114    HE2  PHE  15           HE2      PHE  15  -0.045  -5.664  -2.493
  115    HZ   PHE  15           HZ       PHE  15  -1.576  -7.396  -1.685
  116    H    ASP  16           HN       ASP  16   3.240  -2.234   2.462
  117    HA   ASP  16           HA       ASP  16   5.545  -3.265   3.912
  118   1HB   ASP  16          2HB       ASP  16   5.199  -0.318   3.275
  119   2HB   ASP  16          3HB       ASP  16   6.652  -1.146   3.797
  120    H    HIS  17           HN       HIS  17   4.875  -3.444   6.056
  121    HA   HIS  17           HA       HIS  17   3.017  -1.389   7.018
  122   1HB   HIS  17          2HB       HIS  17   2.036  -3.676   6.791
  123   2HB   HIS  17          3HB       HIS  17   3.217  -4.269   7.942
  124    HD1  HIS  17           HD1      HIS  17   3.098  -2.007  10.072
  125    HD2  HIS  17           HD2      HIS  17  -0.271  -3.747   8.276
  126    HE1  HIS  17           HE1      HIS  17   1.153  -1.622  11.677
  127    H    LYS  18           HN       LYS  18   5.381  -3.869   8.256
  128    HA   LYS  18           HA       LYS  18   5.980  -2.332  10.544
  129   1HB   LYS  18          2HB       LYS  18   6.325  -4.935   9.794
  130   2HB   LYS  18          3HB       LYS  18   7.961  -4.328   9.627
  131   1HG   LYS  18          2HG       LYS  18   7.893  -3.436  11.948
  132   2HG   LYS  18          3HG       LYS  18   6.232  -3.967  12.121
  133   1HD   LYS  18          2HD       LYS  18   6.813  -6.245  12.204
  134   2HD   LYS  18          3HD       LYS  18   8.300  -6.010  11.307
  135   1HE   LYS  18          2HE       LYS  18   8.246  -4.527  13.874
  136   2HE   LYS  18          3HE       LYS  18   8.106  -6.262  14.080
  137   1HZ   LYS  18          1HZ       LYS  18  10.200  -6.529  13.467
  138   2HZ   LYS  18          2HZ       LYS  18  10.079  -5.547  12.168
  139   3HZ   LYS  18          3HZ       LYS  18  10.392  -4.917  13.642
  140    H    ALA  19           HN       ALA  19   7.614  -2.827   7.357
  141    HA   ALA  19           HA       ALA  19   9.863  -1.291   7.927
  142   1HB   ALA  19          1HB       ALA  19  10.064  -1.178   5.446
  143   2HB   ALA  19          2HB       ALA  19   9.704  -2.822   6.026
  144   3HB   ALA  19          3HB       ALA  19   8.414  -1.830   5.304
  145    H    HIS  20           HN       HIS  20   6.573  -0.426   6.768
  146    HA   HIS  20           HA       HIS  20   7.302   2.290   6.321
  147   1HB   HIS  20          2HB       HIS  20   4.760   0.694   6.254
  148   2HB   HIS  20          3HB       HIS  20   4.670   2.444   6.285
  149    HD1  HIS  20           HD1      HIS  20   7.604   1.100   4.444
  150    HD2  HIS  20           HD2      HIS  20   3.651   2.208   3.581
  151    HE1  HIS  20           HE1      HIS  20   7.459   1.312   1.905
  152    H    ALA  21           HN       ALA  21   5.048   0.690   8.693
  153    HA   ALA  21           HA       ALA  21   4.436   2.717  10.293
  154   1HB   ALA  21          1HB       ALA  21   5.246  -0.128  10.960
  155   2HB   ALA  21          2HB       ALA  21   4.616   0.986  12.197
  156   3HB   ALA  21          3HB       ALA  21   3.609   0.551  10.795
  157    H    GLU  22           HN       GLU  22   7.644   1.149  10.036
  158    HA   GLU  22           HA       GLU  22   8.875   1.998  12.244
  159   1HB   GLU  22          2HB       GLU  22   9.900   1.933   9.379
  160   2HB   GLU  22          3HB       GLU  22  10.957   2.241  10.742
  161   1HG   GLU  22          2HG       GLU  22   9.302  -0.072  11.337
  162   2HG   GLU  22          3HG       GLU  22  10.045  -0.293   9.765
  163    H    LYS  23           HN       LYS  23   8.510   3.948   9.196
  164    HA   LYS  23           HA       LYS  23   9.082   6.325  10.826
  165   1HB   LYS  23          2HB       LYS  23   9.392   6.104   7.826
  166   2HB   LYS  23          3HB       LYS  23   9.983   7.370   8.883
  167   1HG   LYS  23          2HG       LYS  23  10.879   4.540   9.433
  168   2HG   LYS  23          3HG       LYS  23  11.574   5.367   8.052
  169   1HD   LYS  23          2HD       LYS  23  13.026   6.363   9.483
  170   2HD   LYS  23          3HD       LYS  23  11.678   7.296  10.103
  171   1HE   LYS  23          2HE       LYS  23  11.235   5.068  11.541
  172   2HE   LYS  23          3HE       LYS  23  12.939   4.797  11.236
  173   1HZ   LYS  23          1HZ       LYS  23  11.688   6.797  12.857
  174   2HZ   LYS  23          2HZ       LYS  23  13.164   6.114  12.999
  175   3HZ   LYS  23          3HZ       LYS  23  12.933   7.348  11.954
  176    H    LEU  24           HN       LEU  24   7.118   5.055   8.055
  177    HA   LEU  24           HA       LEU  24   5.446   7.156   7.695
  178   1HB   LEU  24          2HB       LEU  24   5.492   4.350   7.104
  179   2HB   LEU  24          3HB       LEU  24   3.865   4.812   7.561
  180    HG   LEU  24           HG       LEU  24   5.398   6.399   5.509
  181   1HD1  LEU  24          1HD       LEU  24   4.186   4.998   3.783
  182   2HD1  LEU  24          2HD       LEU  24   5.555   4.217   4.611
  183   3HD1  LEU  24          3HD       LEU  24   3.885   3.818   5.081
  184   1HD2  LEU  24          1HD       LEU  24   2.424   5.930   5.667
  185   2HD2  LEU  24          2HD       LEU  24   3.229   7.204   6.614
  186   3HD2  LEU  24          3HD       LEU  24   3.315   7.228   4.837
  187    H    GLY  25           HN       GLY  25   3.967   4.364   9.379
  188   1HA   GLY  25          1HA       GLY  25   3.571   4.822  11.863
  189   2HA   GLY  25          2HA       GLY  25   2.786   6.278  11.285
  190    H    CYS  26           HN       CYS  26   0.920   5.159  12.510
  191    HA   CYS  26           HA       CYS  26  -0.259   2.975  11.031
  192   1HB   CYS  26          2HB       CYS  26  -1.634   4.300  13.325
  193   2HB   CYS  26          3HB       CYS  26  -1.634   2.617  12.837
  194    H    ASP  27           HN       ASP  27  -1.370   6.204  12.316
  195    HA   ASP  27           HA       ASP  27  -3.645   6.496  11.032
  196   1HB   ASP  27          2HB       ASP  27  -1.801   8.207  12.270
  197   2HB   ASP  27          3HB       ASP  27  -1.964   8.906  10.671
  198    H    ALA  28           HN       ALA  28  -0.386   6.480   9.615
  199    HA   ALA  28           HA       ALA  28  -0.578   7.797   7.295
  200   1HB   ALA  28          1HB       ALA  28   1.434   6.781   7.275
  201   2HB   ALA  28          2HB       ALA  28   0.857   5.458   8.316
  202   3HB   ALA  28          3HB       ALA  28   0.611   5.376   6.555
  203    H    CYS  29           HN       CYS  29  -1.641   4.340   7.718
  204    HA   CYS  29           HA       CYS  29  -3.285   4.713   5.336
  205   1HB   CYS  29          2HB       CYS  29  -2.958   2.029   6.568
  206   2HB   CYS  29          3HB       CYS  29  -3.093   2.490   4.882
  207    H    HIS  30           HN       HIS  30  -3.255   3.659   8.788
  208    HA   HIS  30           HA       HIS  30  -6.149   3.447   8.733
  209   1HB   HIS  30          2HB       HIS  30  -4.403   2.970  11.139
  210   2HB   HIS  30          3HB       HIS  30  -5.984   2.306  10.778
  211    HD1  HIS  30           HD1      HIS  30  -6.106   0.226   9.221
  212    HD2  HIS  30           HD2      HIS  30  -2.217   1.659   9.870
  213    HE1  HIS  30           HE1      HIS  30  -4.525  -1.580   8.354
  214    H    GLU  31           HN       GLU  31  -6.319   4.169  11.645
  215    HA   GLU  31           HA       GLU  31  -5.520   6.912  11.697
  216   1HB   GLU  31          2HB       GLU  31  -8.492   6.236  11.801
  217   2HB   GLU  31          3HB       GLU  31  -7.786   7.831  11.964
  218   1HG   GLU  31          2HG       GLU  31  -6.805   7.569   9.633
  219   2HG   GLU  31          3HG       GLU  31  -7.673   6.054   9.482
  220    H    GLY  32           HN       GLY  32  -8.144   6.932  13.654
  221   1HA   GLY  32          1HA       GLY  32  -6.638   6.516  16.027
  222   2HA   GLY  32          2HA       GLY  32  -8.355   6.845  15.897
  223    H    THR  33           HN       THR  33  -8.212   4.344  13.847
  224    HA   THR  33           HA       THR  33  -7.899   2.196  15.770
  225    HB   THR  33           HB       THR  33 -10.570   3.074  14.575
  226    HG1  THR  33           HG1      THR  33  -9.900   3.852  16.702
  227   1HG2  THR  33          1HG       THR  33 -11.544   0.993  15.307
  228   2HG2  THR  33          2HG       THR  33 -10.118   0.518  14.353
  229   3HG2  THR  33          3HG       THR  33 -10.046   0.499  16.131
  230    HA   PRO  34           HA       PRO  34  -6.475   0.777  11.880
  231   1HB   PRO  34          2HB       PRO  34  -4.767  -1.117  12.860
  232   2HB   PRO  34          3HB       PRO  34  -4.298   0.550  12.595
  233   1HG   PRO  34          2HG       PRO  34  -4.879  -0.827  15.144
  234   2HG   PRO  34          3HG       PRO  34  -4.017   0.675  14.879
  235   1HD   PRO  34          2HD       PRO  34  -6.707   0.386  15.830
  236   2HD   PRO  34          3HD       PRO  34  -5.883   1.887  15.456
  237    H    ALA  35           HN       ALA  35  -6.429  -1.306  10.660
  238    HA   ALA  35           HA       ALA  35  -7.556  -3.590  11.674
  239   1HB   ALA  35          1HB       ALA  35  -9.485  -1.570  11.658
  240   2HB   ALA  35          2HB       ALA  35  -9.817  -2.491  10.170
  241   3HB   ALA  35          3HB       ALA  35  -9.794  -3.321  11.745
  242    H    LYS  36           HN       LYS  36  -8.378  -5.051   9.823
  243    HA   LYS  36           HA       LYS  36  -6.524  -4.935   7.747
  244   1HB   LYS  36          2HB       LYS  36  -7.226  -7.072   8.143
  245   2HB   LYS  36          3HB       LYS  36  -8.884  -6.602   8.462
  246   1HG   LYS  36          2HG       LYS  36  -9.394  -6.375   6.124
  247   2HG   LYS  36          3HG       LYS  36  -7.701  -6.360   5.670
  248   1HD   LYS  36          2HD       LYS  36  -8.663  -8.796   7.137
  249   2HD   LYS  36          3HD       LYS  36  -9.265  -8.585   5.505
  250   1HE   LYS  36          2HE       LYS  36  -7.066  -8.620   4.557
  251   2HE   LYS  36          3HE       LYS  36  -6.297  -8.308   6.100
  252   1HZ   LYS  36          1HZ       LYS  36  -7.443 -10.529   6.718
  253   2HZ   LYS  36          2HZ       LYS  36  -7.433 -10.784   5.105
  254   3HZ   LYS  36          3HZ       LYS  36  -6.029 -10.535   5.901
  255    H    ILE  37           HN       ILE  37  -6.475  -3.880   5.825
  256    HA   ILE  37           HA       ILE  37  -8.837  -2.296   5.175
  257    HB   ILE  37           HB       ILE  37  -6.043  -2.123   4.046
  258   1HG1  ILE  37          2HG       ILE  37  -7.224  -0.392   6.230
  259   2HG1  ILE  37          3HG       ILE  37  -6.204  -1.780   6.557
  260   1HG2  ILE  37          1HG       ILE  37  -8.379  -1.062   3.066
  261   2HG2  ILE  37          2HG       ILE  37  -7.749   0.262   4.073
  262   3HG2  ILE  37          3HG       ILE  37  -6.743  -0.424   2.775
  263   1HD1  ILE  37          1HD       ILE  37  -4.292  -0.755   5.749
  264   2HD1  ILE  37          2HD       ILE  37  -5.185   0.186   4.530
  265   3HD1  ILE  37          3HD       ILE  37  -5.194   0.702   6.234
  266    H    ALA  38           HN       ALA  38  -8.854  -5.199   4.800
  267    HA   ALA  38           HA       ALA  38  -8.888  -6.773   3.154
  268   1HB   ALA  38          1HB       ALA  38 -10.972  -4.683   2.889
  269   2HB   ALA  38          2HB       ALA  38 -10.800  -5.749   1.475
  270   3HB   ALA  38          3HB       ALA  38 -11.136  -6.445   3.079
  271    H    ILE  39           HN       ILE  39  -6.759  -6.688   2.234
  272    HA   ILE  39           HA       ILE  39  -6.341  -4.865   0.033
  273    HB   ILE  39           HB       ILE  39  -4.653  -6.875   1.494
  274   1HG1  ILE  39          2HG       ILE  39  -4.956  -4.714   2.571
  275   2HG1  ILE  39          3HG       ILE  39  -3.300  -4.906   2.027
  276   1HG2  ILE  39          1HG       ILE  39  -3.417  -7.236  -0.313
  277   2HG2  ILE  39          2HG       ILE  39  -4.366  -6.073  -1.269
  278   3HG2  ILE  39          3HG       ILE  39  -2.985  -5.509  -0.297
  279   1HD1  ILE  39          1HD       ILE  39  -5.310  -2.925   1.212
  280   2HD1  ILE  39          2HD       ILE  39  -3.543  -2.898   0.995
  281   3HD1  ILE  39          3HD       ILE  39  -4.572  -3.742  -0.187
  282    H    ASP  40           HN       ASP  40  -7.046  -5.297  -1.981
  283    HA   ASP  40           HA       ASP  40  -6.477  -7.658  -3.260
  284   1HB   ASP  40          2HB       ASP  40  -8.985  -7.680  -1.719
  285   2HB   ASP  40          3HB       ASP  40  -9.285  -7.944  -3.425
  286    H    LYS  41           HN       LYS  41  -7.868  -7.736  -5.454
  287    HA   LYS  41           HA       LYS  41  -7.582  -5.476  -6.848
  288   1HB   LYS  41          2HB       LYS  41  -9.417  -7.821  -7.107
  289   2HB   LYS  41          3HB       LYS  41  -9.693  -6.450  -8.163
  290   1HG   LYS  41          2HG       LYS  41  -7.732  -6.775  -9.335
  291   2HG   LYS  41          3HG       LYS  41  -6.835  -7.272  -7.913
  292   1HD   LYS  41          2HD       LYS  41  -6.958  -9.316  -9.012
  293   2HD   LYS  41          3HD       LYS  41  -8.420  -9.424  -8.050
  294   1HE   LYS  41          2HE       LYS  41  -9.161 -10.003 -10.225
  295   2HE   LYS  41          3HE       LYS  41  -9.632  -8.321 -10.080
  296   1HZ   LYS  41          1HZ       LYS  41  -7.520  -7.765 -11.187
  297   2HZ   LYS  41          2HZ       LYS  41  -7.246  -9.355 -11.442
  298   3HZ   LYS  41          3HZ       LYS  41  -8.536  -8.628 -12.131
  299    H    LYS  42           HN       LYS  42  -8.947  -3.713  -7.559
  300    HA   LYS  42           HA       LYS  42 -10.400  -2.074  -7.277
  301   1HB   LYS  42          2HB       LYS  42 -11.960  -4.303  -5.983
  302   2HB   LYS  42          3HB       LYS  42 -12.569  -2.661  -5.955
  303   1HG   LYS  42          2HG       LYS  42 -12.937  -2.600  -8.247
  304   2HG   LYS  42          3HG       LYS  42 -11.573  -3.640  -8.608
  305   1HD   LYS  42          2HD       LYS  42 -12.930  -5.566  -7.542
  306   2HD   LYS  42          3HD       LYS  42 -14.306  -4.482  -7.551
  307   1HE   LYS  42          2HE       LYS  42 -13.371  -4.206 -10.150
  308   2HE   LYS  42          3HE       LYS  42 -12.993  -5.885  -9.821
  309   1HZ   LYS  42          1HZ       LYS  42 -15.505  -5.483  -8.826
  310   2HZ   LYS  42          2HZ       LYS  42 -15.500  -4.708 -10.263
  311   3HZ   LYS  42          3HZ       LYS  42 -15.111  -6.291 -10.189
  312    H    SER  43           HN       SER  43 -10.620  -3.824  -4.097
  313    HA   SER  43           HA       SER  43 -10.645  -1.573  -2.575
  314   1HB   SER  43          2HB       SER  43 -10.174  -4.442  -2.172
  315   2HB   SER  43          3HB       SER  43  -9.247  -3.480  -1.038
  316    HG   SER  43           HG       SER  43 -11.580  -2.299  -0.974
  317    H    ALA  44           HN       ALA  44  -7.750  -3.765  -2.882
  318    HA   ALA  44           HA       ALA  44  -5.941  -1.933  -1.864
  319   1HB   ALA  44          1HB       ALA  44  -5.692  -4.337  -3.697
  320   2HB   ALA  44          2HB       ALA  44  -4.272  -3.431  -3.123
  321   3HB   ALA  44          3HB       ALA  44  -5.349  -4.234  -1.954
  322    H    HIS  45           HN       HIS  45  -7.621  -1.996  -4.902
  323    HA   HIS  45           HA       HIS  45  -5.593  -0.372  -6.190
  324   1HB   HIS  45          2HB       HIS  45  -7.963  -1.941  -7.056
  325   2HB   HIS  45          3HB       HIS  45  -7.625  -0.489  -7.976
  326    HD1  HIS  45           HD1      HIS  45  -7.250  -2.676  -9.758
  327    HD2  HIS  45           HD2      HIS  45  -4.246  -1.779  -6.972
  328    HE1  HIS  45           HE1      HIS  45  -5.112  -3.755 -10.640
  329    H    LYS  46           HN       LYS  46  -7.853   0.163  -3.874
  330    HA   LYS  46           HA       LYS  46  -8.659   2.738  -5.035
  331   1HB   LYS  46          2HB       LYS  46 -10.154   0.679  -3.683
  332   2HB   LYS  46          3HB       LYS  46 -10.205   2.149  -2.730
  333   1HG   LYS  46          2HG       LYS  46 -10.966   3.446  -4.695
  334   2HG   LYS  46          3HG       LYS  46 -10.806   2.036  -5.724
  335   1HD   LYS  46          2HD       LYS  46 -12.522   0.846  -4.300
  336   2HD   LYS  46          3HD       LYS  46 -12.718   2.309  -3.356
  337   1HE   LYS  46          2HE       LYS  46 -14.299   2.950  -4.859
  338   2HE   LYS  46          3HE       LYS  46 -12.997   3.212  -6.002
  339   1HZ   LYS  46          1HZ       LYS  46 -13.956   0.501  -5.690
  340   2HZ   LYS  46          2HZ       LYS  46 -14.925   1.549  -6.481
  341   3HZ   LYS  46          3HZ       LYS  46 -13.413   1.263  -7.028
  342    H    ASP  47           HN       ASP  47  -9.412   3.924  -2.526
  343    HA   ASP  47           HA       ASP  47  -7.273   5.275  -1.835
  344   1HB   ASP  47          2HB       ASP  47  -9.436   4.204   0.032
  345   2HB   ASP  47          3HB       ASP  47  -8.296   5.443   0.516
  346    H    ALA  48           HN       ALA  48  -8.039   1.914  -0.951
  347    HA   ALA  48           HA       ALA  48  -6.657   1.351   1.246
  348   1HB   ALA  48          1HB       ALA  48  -7.808  -0.330  -0.088
  349   2HB   ALA  48          2HB       ALA  48  -6.615  -0.158  -1.397
  350   3HB   ALA  48          3HB       ALA  48  -6.125  -0.848   0.169
  351    H    CYS  49           HN       CYS  49  -5.076   1.326  -2.035
  352    HA   CYS  49           HA       CYS  49  -2.548   1.782  -0.651
  353   1HB   CYS  49          2HB       CYS  49  -3.253   0.009  -2.670
  354   2HB   CYS  49          3HB       CYS  49  -2.400   1.280  -3.522
  355    H    LYS  50           HN       LYS  50  -3.753   2.617  -3.972
  356    HA   LYS  50           HA       LYS  50  -2.383   4.874  -4.378
  357   1HB   LYS  50          2HB       LYS  50  -4.239   5.586  -5.860
  358   2HB   LYS  50          3HB       LYS  50  -3.781   3.909  -6.076
  359   1HG   LYS  50          2HG       LYS  50  -5.812   3.132  -5.358
  360   2HG   LYS  50          3HG       LYS  50  -5.878   4.260  -4.018
  361   1HD   LYS  50          2HD       LYS  50  -6.141   5.686  -6.560
  362   2HD   LYS  50          3HD       LYS  50  -7.331   4.404  -6.456
  363   1HE   LYS  50          2HE       LYS  50  -7.349   5.581  -3.882
  364   2HE   LYS  50          3HE       LYS  50  -7.202   6.940  -4.977
  365   1HZ   LYS  50          1HZ       LYS  50  -9.453   6.544  -4.826
  366   2HZ   LYS  50          2HZ       LYS  50  -9.069   5.818  -6.238
  367   3HZ   LYS  50          3HZ       LYS  50  -9.309   4.919  -4.894
  368    H    THR  51           HN       THR  51  -1.923   6.276  -2.709
  369    HA   THR  51           HA       THR  51  -3.789   8.255  -2.093
  370    HB   THR  51           HB       THR  51  -4.614   6.085  -0.777
  371    HG1  THR  51           HG1      THR  51  -5.674   7.868  -0.008
  372   1HG2  THR  51          1HG       THR  51  -2.749   7.301   1.294
  373   2HG2  THR  51          2HG       THR  51  -3.630   5.756   1.363
  374   3HG2  THR  51          3HG       THR  51  -2.205   5.921   0.312
  375    H    CYS  52           HN       CYS  52  -0.889   6.388  -1.125
  376    HA   CYS  52           HA       CYS  52   0.275   8.911  -0.220
  377   1HB   CYS  52          2HB       CYS  52   0.184   6.658   1.171
  378   2HB   CYS  52          3HB       CYS  52   1.606   6.272   0.223
  379    H    HIS  53           HN       HIS  53   1.355   5.812  -1.814
  380    HA   HIS  53           HA       HIS  53   3.591   6.611  -2.990
  381   1HB   HIS  53          2HB       HIS  53   1.398   4.787  -3.930
  382   2HB   HIS  53          3HB       HIS  53   2.767   5.095  -4.980
  383    HD1  HIS  53           HD1      HIS  53   4.086   2.959  -4.829
  384    HD2  HIS  53           HD2      HIS  53   2.966   4.418  -1.059
  385    HE1  HIS  53           HE1      HIS  53   5.241   1.466  -3.113
  386    H    LYS  54           HN       LYS  54   0.268   7.205  -4.307
  387    HA   LYS  54           HA       LYS  54   1.323   8.735  -6.484
  388   1HB   LYS  54          2HB       LYS  54  -1.537   8.448  -5.520
  389   2HB   LYS  54          3HB       LYS  54  -1.015   9.075  -7.071
  390   1HG   LYS  54          2HG       LYS  54  -0.489   6.979  -7.907
  391   2HG   LYS  54          3HG       LYS  54   0.049   6.370  -6.354
  392   1HD   LYS  54          2HD       LYS  54  -1.962   5.177  -6.748
  393   2HD   LYS  54          3HD       LYS  54  -2.451   6.443  -5.640
  394   1HE   LYS  54          2HE       LYS  54  -2.601   7.058  -8.586
  395   2HE   LYS  54          3HE       LYS  54  -3.788   5.943  -7.938
  396   1HZ   LYS  54          1HZ       LYS  54  -3.583   8.071  -6.182
  397   2HZ   LYS  54          2HZ       LYS  54  -3.721   8.703  -7.683
  398   3HZ   LYS  54          3HZ       LYS  54  -4.853   7.667  -7.125
  399    H    SER  55           HN       SER  55   2.657  10.030  -4.777
  400    HA   SER  55           HA       SER  55   1.576  12.570  -4.715
  401   1HB   SER  55          2HB       SER  55   0.228  11.445  -2.827
  402   2HB   SER  55          3HB       SER  55   1.729  11.356  -1.927
  403    HG   SER  55           HG       SER  55   1.637  13.871  -2.754
  404    H    ASN  56           HN       ASN  56   3.712  10.246  -2.931
  405    HA   ASN  56           HA       ASN  56   5.756  12.303  -2.904
  406   1HB   ASN  56          2HB       ASN  56   5.091  10.907  -0.807
  407   2HB   ASN  56          3HB       ASN  56   5.879   9.549  -1.584
  408   1HD2  ASN  56          1HD       ASN  56   8.092   9.531  -1.896
  409   2HD2  ASN  56          2HD       ASN  56   9.177  10.598  -1.070
  410    H    ASN  57           HN       ASN  57   5.484   8.687  -3.368
  411    HA   ASN  57           HA       ASN  57   7.814   8.164  -4.507
  412   1HB   ASN  57          2HB       ASN  57   5.087   7.037  -4.683
  413   2HB   ASN  57          3HB       ASN  57   6.014   6.710  -6.134
  414   1HD2  ASN  57          1HD       ASN  57   6.365   4.588  -5.850
  415   2HD2  ASN  57          2HD       ASN  57   7.309   3.890  -4.576
  416    H    GLY  58           HN       GLY  58   8.308   7.701  -6.954
  417   1HA   GLY  58          1HA       GLY  58   7.890  10.109  -8.444
  418   2HA   GLY  58          2HA       GLY  58   8.775   8.680  -8.940
  419    HA   PRO  59           HA       PRO  59   5.316   7.203 -11.140
  420   1HB   PRO  59          2HB       PRO  59   4.861   4.615 -10.390
  421   2HB   PRO  59          3HB       PRO  59   6.159   5.086 -11.471
  422   1HG   PRO  59          2HG       PRO  59   6.311   4.294  -8.627
  423   2HG   PRO  59          3HG       PRO  59   7.593   4.351  -9.821
  424   1HD   PRO  59          2HD       PRO  59   7.113   6.249  -7.724
  425   2HD   PRO  59          3HD       PRO  59   8.322   6.367  -8.988
  426    H    THR  60           HN       THR  60   3.034   6.171 -11.222
  427    HA   THR  60           HA       THR  60   1.691   6.654  -8.676
  428    HB   THR  60           HB       THR  60   1.583   8.369 -11.117
  429    HG1  THR  60           HG1      THR  60   1.516   9.772  -9.382
  430   1HG2  THR  60          1HG       THR  60  -0.877   7.158  -9.860
  431   2HG2  THR  60          2HG       THR  60  -0.890   8.914 -10.154
  432   3HG2  THR  60          3HG       THR  60  -0.648   7.786 -11.510
  433    H    LYS  61           HN       LYS  61   1.463   5.609 -12.122
  434    HA   LYS  61           HA       LYS  61  -0.453   3.587 -11.185
  435   1HB   LYS  61          2HB       LYS  61  -1.786   3.911 -12.998
  436   2HB   LYS  61          3HB       LYS  61  -1.151   5.537 -12.849
  437   1HG   LYS  61          2HG       LYS  61   0.666   4.940 -14.502
  438   2HG   LYS  61          3HG       LYS  61  -0.063   3.358 -14.694
  439   1HD   LYS  61          2HD       LYS  61  -1.371   4.254 -16.317
  440   2HD   LYS  61          3HD       LYS  61  -2.224   5.121 -15.057
  441   1HE   LYS  61          2HE       LYS  61  -0.849   7.085 -15.326
  442   2HE   LYS  61          3HE       LYS  61   0.345   6.216 -16.269
  443   1HZ   LYS  61          1HZ       LYS  61  -2.050   5.900 -17.569
  444   2HZ   LYS  61          2HZ       LYS  61  -1.986   7.478 -17.154
  445   3HZ   LYS  61          3HZ       LYS  61  -0.784   6.818 -18.041
  446    H    CYS  62           HN       CYS  62   0.056   1.467 -11.550
  447    HA   CYS  62           HA       CYS  62   1.181  -0.305 -12.196
  448   1HB   CYS  62          2HB       CYS  62   2.217   1.420 -14.457
  449   2HB   CYS  62          3HB       CYS  62   2.430  -0.314 -14.332
  450    H    GLY  63           HN       GLY  63   3.567   2.204 -13.286
  451   1HA   GLY  63          1HA       GLY  63   5.813   1.080 -12.189
  452   2HA   GLY  63          2HA       GLY  63   5.590   2.791 -12.492
  453    H    GLY  64           HN       GLY  64   3.135   2.670 -10.545
  454   1HA   GLY  64          1HA       GLY  64   4.472   3.635  -8.270
  455   2HA   GLY  64          2HA       GLY  64   2.775   3.216  -8.395
  456    H    CYS  65           HN       CYS  65   2.026   1.129  -7.752
  457    HA   CYS  65           HA       CYS  65   3.570  -0.069  -5.742
  458   1HB   CYS  65          2HB       CYS  65   0.991  -0.804  -7.110
  459   2HB   CYS  65          3HB       CYS  65   1.731  -1.875  -5.936
  460    H    HIS  66           HN       HIS  66   2.412  -1.300  -8.975
  461    HA   HIS  66           HA       HIS  66   4.015  -3.584  -8.903
  462   1HB   HIS  66          2HB       HIS  66   2.701  -2.098 -11.191
  463   2HB   HIS  66          3HB       HIS  66   3.521  -3.635 -11.384
  464    HD1  HIS  66           HD1      HIS  66   2.258  -5.752 -10.718
  465    HD2  HIS  66           HD2      HIS  66   0.295  -2.228  -9.570
  466    HE1  HIS  66           HE1      HIS  66  -0.062  -6.454  -9.921
  467    H    ILE  67           HN       ILE  67   6.009  -4.087  -9.958
  468    HA   ILE  67           HA       ILE  67   7.486  -1.794 -10.996
  469    HB   ILE  67           HB       ILE  67   8.390  -3.590  -8.746
  470   1HG1  ILE  67          2HG       ILE  67   8.189  -0.569  -8.850
  471   2HG1  ILE  67          3HG       ILE  67   6.919  -1.601  -8.223
  472   1HG2  ILE  67          1HG       ILE  67  10.467  -1.993  -8.955
  473   2HG2  ILE  67          2HG       ILE  67  10.345  -3.469  -9.942
  474   3HG2  ILE  67          3HG       ILE  67   9.947  -1.887 -10.655
  475   1HD1  ILE  67          1HD       ILE  67   8.052  -2.032  -6.286
  476   2HD1  ILE  67          2HD       ILE  67   9.603  -2.238  -7.134
  477   3HD1  ILE  67          3HD       ILE  67   9.021  -0.606  -6.729
  478    H    LYS  68           HN       LYS  68   6.796  -2.950 -13.006
  479    HA   LYS  68           HA       LYS  68   8.900  -4.699 -13.814
  480   1HB   LYS  68          2HB       LYS  68   7.222  -6.205 -12.603
  481   2HB   LYS  68          3HB       LYS  68   6.114  -5.870 -13.919
  482   1HG   LYS  68          2HG       LYS  68   7.133  -7.463 -15.165
  483   2HG   LYS  68          3HG       LYS  68   8.608  -6.517 -15.149
  484   1HD   LYS  68          2HD       LYS  68   9.003  -7.565 -12.772
  485   2HD   LYS  68          3HD       LYS  68   7.777  -8.727 -13.237
  486   1HE   LYS  68          2HE       LYS  68   9.808  -9.765 -13.902
  487   2HE   LYS  68          3HE       LYS  68   9.178  -9.102 -15.397
  488   1HZ   LYS  68          1HZ       LYS  68  11.525  -8.602 -14.997
  489   2HZ   LYS  68          2HZ       LYS  68  10.625  -7.251 -15.179
  490   3HZ   LYS  68          3HZ       LYS  68  11.121  -7.707 -13.692
  491    HHA  HEC  98           HGM      HEC  98  -4.701  -4.701   8.721
  492    HHB  HEC  98           HDM      HEC  98  -2.597  -1.605  13.717
  493    HHC  HEC  98           HAM      HEC  98   1.347   1.598   9.937
  494    HHD  HEC  98           HBM      HEC  98  -1.199  -1.262   5.022
  495   1HMA  HEC  98          1HM       HEC  98  -4.520  -3.105  14.352
  496   2HMA  HEC  98          2HM       HEC  98  -4.822  -4.806  13.926
  497   3HMA  HEC  98          3HM       HEC  98  -3.181  -4.278  14.366
  498   1HAA  HEC  98          1HA       HEC  98  -5.440  -5.882  12.181
  499   2HAA  HEC  98          2HA       HEC  98  -5.897  -5.373  10.539
  500   1HBA  HEC  98          3HB       HEC  98  -4.830  -7.279   9.803
  501   2HBA  HEC  98          4HB       HEC  98  -3.308  -6.444  10.193
  502   1HMB  HEC  98          1HM       HEC  98  -0.322   0.563  15.174
  503   2HMB  HEC  98          2HM       HEC  98  -1.711   1.530  14.626
  504   3HMB  HEC  98          3HM       HEC  98  -1.897  -0.218  14.902
  505    HAB  HEC  98           HT2      HEC  98   1.639   2.323  11.789
  506   1HBB  HEC  98          1HT       HEC  98   2.822   0.621  12.948
  507   2HBB  HEC  98          2HT       HEC  98   3.080   2.249  13.619
  508   3HBB  HEC  98          3HT       HEC  98   2.024   1.095  14.467
  509   1HMC  HEC  98          1HM       HEC  98   2.725   2.073   8.421
  510   2HMC  HEC  98          2HM       HEC  98   2.733   2.192   6.646
  511   3HMC  HEC  98          3HM       HEC  98   1.660   3.239   7.602
  512    HAC  HEC  98           HT4      HEC  98  -0.518   1.392   4.555
  513   1HBC  HEC  98          1HT       HEC  98   1.248  -0.884   4.544
  514   2HBC  HEC  98          2HT       HEC  98   0.206  -0.273   3.237
  515   3HBC  HEC  98          3HT       HEC  98   1.872   0.331   3.403
  516   1HMD  HEC  98          1HM       HEC  98  -2.514  -2.009   3.611
  517   2HMD  HEC  98          2HM       HEC  98  -2.164  -3.753   3.626
  518   3HMD  HEC  98          3HM       HEC  98  -3.849  -3.185   3.577
  519   1HAD  HEC  98          1HA       HEC  98  -4.955  -5.495   6.611
  520   2HAD  HEC  98          2HA       HEC  98  -4.939  -4.814   4.967
  521   1HBD  HEC  98          3HB       HEC  98  -2.699  -5.838   4.629
  522   2HBD  HEC  98          4HB       HEC  98  -2.869  -6.622   6.219
  523    HHA  HEC 128           HGM      HEC 128   9.302   2.492  -0.620
  524    HHB  HEC 128           HDM      HEC 128   4.972  -1.690  -2.275
  525    HHC  HEC 128           HAM      HEC 128   0.683   1.608   1.018
  526    HHD  HEC 128           HBM      HEC 128   5.032   5.915   2.179
  527   1HMA  HEC 128          1HM       HEC 128   7.690  -2.004  -3.589
  528   2HMA  HEC 128          2HM       HEC 128   8.739  -2.504  -2.241
  529   3HMA  HEC 128          3HM       HEC 128   6.994  -2.841  -2.181
  530   1HAA  HEC 128          1HA       HEC 128  10.246  -0.741  -2.171
  531   2HAA  HEC 128          2HA       HEC 128  10.276   1.020  -1.918
  532   1HBA  HEC 128          3HB       HEC 128  10.875   0.823   0.329
  533   2HBA  HEC 128          4HB       HEC 128   9.916  -0.659   0.558
  534   1HMB  HEC 128          1HM       HEC 128   1.277  -2.196  -2.758
  535   2HMB  HEC 128          2HM       HEC 128   2.957  -2.008  -3.313
  536   3HMB  HEC 128          3HM       HEC 128   2.579  -3.129  -1.984
  537    HAB  HEC 128           HT2      HEC 128  -0.325   0.099   0.135
  538   1HBB  HEC 128          1HT       HEC 128   0.743  -2.120   1.130
  539   2HBB  HEC 128          2HT       HEC 128  -0.962  -1.619   1.226
  540   3HBB  HEC 128          3HT       HEC 128  -0.443  -2.773  -0.025
  541   1HMC  HEC 128          1HM       HEC 128  -0.440   4.727   2.087
  542   2HMC  HEC 128          2HM       HEC 128  -0.465   2.982   1.742
  543   3HMC  HEC 128          3HM       HEC 128  -0.052   3.561   3.373
  544    HAC  HEC 128           HT4      HEC 128   3.086   6.693   2.980
  545   1HBC  HEC 128          1HT       HEC 128   1.377   7.145   4.396
  546   2HBC  HEC 128          2HT       HEC 128   0.142   6.817   3.158
  547   3HBC  HEC 128          3HT       HEC 128   0.857   5.474   4.079
  548   1HMD  HEC 128          1HM       HEC 128   6.496   7.267   2.172
  549   2HMD  HEC 128          2HM       HEC 128   7.978   6.702   2.981
  550   3HMD  HEC 128          3HM       HEC 128   8.075   7.449   1.369
  551   1HAD  HEC 128          1HA       HEC 128  10.376   4.138   0.494
  552   2HAD  HEC 128          2HA       HEC 128  10.009   5.876   0.591
  553   1HBD  HEC 128          3HB       HEC 128   9.943   5.834   2.943
  554   2HBD  HEC 128          4HB       HEC 128   9.890   4.055   2.989
  555    HHA  HEC 158           HGM      HEC 158  -3.044  -7.504  -7.408
  556    HHB  HEC 158           HDM      HEC 158  -2.427  -5.422 -13.260
  557    HHC  HEC 158           HAM      HEC 158  -1.464   0.404 -10.973
  558    HHD  HEC 158           HBM      HEC 158  -1.652  -1.939  -5.202
  559   1HMA  HEC 158          1HM       HEC 158  -4.600  -8.223 -12.596
  560   2HMA  HEC 158          2HM       HEC 158  -3.353  -7.287 -13.455
  561   3HMA  HEC 158          3HM       HEC 158  -2.922  -8.814 -12.649
  562   1HAA  HEC 158          1HA       HEC 158  -4.004  -8.837  -8.406
  563   2HAA  HEC 158          2HA       HEC 158  -4.935  -9.123  -9.895
  564   1HBA  HEC 158          3HB       HEC 158  -2.615  -9.810 -10.954
  565   2HBA  HEC 158          4HB       HEC 158  -2.057  -9.948  -9.269
  566   1HMB  HEC 158          1HM       HEC 158  -0.817  -4.184 -14.772
  567   2HMB  HEC 158          2HM       HEC 158  -2.493  -3.765 -15.194
  568   3HMB  HEC 158          3HM       HEC 158  -1.191  -2.578 -15.441
  569    HAB  HEC 158           HT2      HEC 158  -0.602   0.258 -13.244
  570   1HBB  HEC 158          1HT       HEC 158  -2.809   0.891 -12.445
  571   2HBB  HEC 158          2HT       HEC 158  -2.195   1.767 -13.868
  572   3HBB  HEC 158          3HT       HEC 158  -3.441   0.511 -14.065
  573   1HMC  HEC 158          1HM       HEC 158  -1.044   1.987 -10.031
  574   2HMC  HEC 158          2HM       HEC 158  -1.776   2.617  -8.536
  575   3HMC  HEC 158          3HM       HEC 158  -0.027   2.303  -8.605
  576    HAC  HEC 158           HT4      HEC 158  -1.051   0.194  -5.029
  577   1HBC  HEC 158          1HT       HEC 158  -0.625   2.743  -6.651
  578   2HBC  HEC 158          2HT       HEC 158  -2.067   2.322  -5.695
  579   3HBC  HEC 158          3HT       HEC 158  -0.514   2.624  -4.878
  580   1HMD  HEC 158          1HM       HEC 158  -0.931  -4.052  -3.261
  581   2HMD  HEC 158          2HM       HEC 158  -2.255  -2.873  -3.415
  582   3HMD  HEC 158          3HM       HEC 158  -2.604  -4.539  -2.896
  583   1HAD  HEC 158          1HA       HEC 158  -2.844  -6.487  -3.543
  584   2HAD  HEC 158          2HA       HEC 158  -4.248  -6.732  -4.609
  585   1HBD  HEC 158          3HB       HEC 158  -1.833  -7.894  -5.721
  586   2HBD  HEC 158          4HB       HEC 158  -2.203  -8.532  -4.101
  Start of MODEL   19
    1    H    ALA   1           HN       ALA   1   2.371  -5.965  10.122
    2    HA   ALA   1           HA       ALA   1   2.697  -7.870  11.677
    3   1HB   ALA   1          1HB       ALA   1   3.312 -10.002  10.738
    4   2HB   ALA   1          2HB       ALA   1   1.809  -9.483   9.936
    5   3HB   ALA   1          3HB       ALA   1   3.368  -9.325   9.093
    6    H    ASP   2           HN       ASP   2   4.205  -6.478   8.789
    7    HA   ASP   2           HA       ASP   2   6.254  -5.333  10.043
    8   1HB   ASP   2          2HB       ASP   2   6.719  -8.206   9.840
    9   2HB   ASP   2          3HB       ASP   2   7.920  -7.351   8.892
   10    H    VAL   3           HN       VAL   3   6.058  -7.724   7.285
   11    HA   VAL   3           HA       VAL   3   6.019  -5.578   5.376
   12    HB   VAL   3           HB       VAL   3   8.378  -5.658   5.794
   13   1HG1  VAL   3          1HG       VAL   3   7.930  -8.588   5.816
   14   2HG1  VAL   3          2HG       VAL   3   9.429  -8.044   5.025
   15   3HG1  VAL   3          3HG       VAL   3   9.102  -7.596   6.716
   16   1HG2  VAL   3          1HG       VAL   3   8.693  -7.133   3.348
   17   2HG2  VAL   3          2HG       VAL   3   7.184  -6.193   3.273
   18   3HG2  VAL   3          3HG       VAL   3   8.728  -5.373   3.611
   19    H    VAL   4           HN       VAL   4   3.881  -6.842   5.421
   20    HA   VAL   4           HA       VAL   4   3.771  -9.490   4.578
   21    HB   VAL   4           HB       VAL   4   1.749  -7.321   4.004
   22   1HG1  VAL   4          1HG       VAL   4   0.246  -9.394   4.651
   23   2HG1  VAL   4          2HG       VAL   4   0.908  -9.224   3.008
   24   3HG1  VAL   4          3HG       VAL   4   1.691 -10.317   4.175
   25   1HG2  VAL   4          1HG       VAL   4   2.586  -8.561   6.595
   26   2HG2  VAL   4          2HG       VAL   4   2.015  -6.912   6.245
   27   3HG2  VAL   4          3HG       VAL   4   0.853  -8.258   6.327
   28    H    THR   5           HN       THR   5   2.645 -10.098   2.368
   29    HA   THR   5           HA       THR   5   3.517  -8.441   0.163
   30    HB   THR   5           HB       THR   5   4.826 -11.069   0.955
   31    HG1  THR   5           HG1      THR   5   5.569  -8.458  -0.167
   32   1HG2  THR   5          1HG       THR   5   4.017 -11.296  -1.444
   33   2HG2  THR   5          2HG       THR   5   4.870  -9.781  -1.824
   34   3HG2  THR   5          3HG       THR   5   5.789 -11.215  -1.308
   35    H    TYR   6           HN       TYR   6   2.844  -9.455  -1.978
   36    HA   TYR   6           HA       TYR   6   0.794 -11.458  -1.790
   37   1HB   TYR   6          2HB       TYR   6   0.352  -8.458  -2.085
   38   2HB   TYR   6          3HB       TYR   6  -0.687  -9.514  -3.020
   39    HD1  TYR   6           HD1      TYR   6   0.171  -8.336   0.346
   40    HD2  TYR   6           HD2      TYR   6  -2.322 -10.980  -1.911
   41    HE1  TYR   6           HE1      TYR   6  -1.341  -8.645   2.366
   42    HE2  TYR   6           HE2      TYR   6  -3.826 -11.281   0.116
   43    HH   TYR   6           HH       TYR   6  -4.240 -10.693   2.150
   44    H    GLU   7           HN       GLU   7   2.621 -12.282  -3.217
   45    HA   GLU   7           HA       GLU   7   3.065 -11.002  -5.669
   46   1HB   GLU   7          2HB       GLU   7   4.274 -13.069  -6.269
   47   2HB   GLU   7          3HB       GLU   7   4.700 -12.546  -4.651
   48   1HG   GLU   7          2HG       GLU   7   4.305 -14.812  -4.262
   49   2HG   GLU   7          3HG       GLU   7   2.718 -14.155  -3.907
   50    H    ASN   8           HN       ASN   8   2.304 -11.548  -7.797
   51    HA   ASN   8           HA       ASN   8   0.004 -13.329  -7.789
   52   1HB   ASN   8          2HB       ASN   8  -0.887 -11.615  -9.620
   53   2HB   ASN   8          3HB       ASN   8  -1.131 -11.267  -7.921
   54   1HD2  ASN   8          1HD       ASN   8  -0.337  -9.472  -7.071
   55   2HD2  ASN   8          2HD       ASN   8   0.737  -8.356  -7.844
   56    H    LYS   9           HN       LYS   9  -0.629 -13.580 -10.381
   57    HA   LYS   9           HA       LYS   9   1.579 -14.839 -11.552
   58   1HB   LYS   9          2HB       LYS   9  -1.258 -14.356 -12.191
   59   2HB   LYS   9          3HB       LYS   9  -0.225 -14.507 -13.599
   60   1HG   LYS   9          2HG       LYS   9  -0.747 -16.752 -13.194
   61   2HG   LYS   9          3HG       LYS   9   0.770 -16.607 -12.329
   62   1HD   LYS   9          2HD       LYS   9  -0.939 -15.842 -10.342
   63   2HD   LYS   9          3HD       LYS   9  -2.015 -16.885 -11.251
   64   1HE   LYS   9          2HE       LYS   9   0.672 -18.070 -10.895
   65   2HE   LYS   9          3HE       LYS   9  -0.118 -17.726  -9.368
   66   1HZ   LYS   9          1HZ       LYS   9  -1.842 -18.916 -11.305
   67   2HZ   LYS   9          2HZ       LYS   9  -0.590 -19.873 -10.879
   68   3HZ   LYS   9          3HZ       LYS   9  -1.611 -19.307  -9.736
   69    H    LYS  10           HN       LYS  10  -0.215 -11.851 -12.597
   70    HA   LYS  10           HA       LYS  10   1.422 -11.105 -14.624
   71   1HB   LYS  10          2HB       LYS  10  -0.061  -9.393 -12.612
   72   2HB   LYS  10          3HB       LYS  10   0.687  -8.755 -14.062
   73   1HG   LYS  10          2HG       LYS  10  -1.077 -11.138 -14.471
   74   2HG   LYS  10          3HG       LYS  10  -1.894  -9.677 -13.954
   75   1HD   LYS  10          2HD       LYS  10  -1.547  -8.619 -15.957
   76   2HD   LYS  10          3HD       LYS  10   0.107  -9.185 -16.082
   77   1HE   LYS  10          2HE       LYS  10  -1.982 -11.301 -16.400
   78   2HE   LYS  10          3HE       LYS  10  -1.951 -10.089 -17.667
   79   1HZ   LYS  10          1HZ       LYS  10  -0.415 -12.144 -17.771
   80   2HZ   LYS  10          2HZ       LYS  10   0.133 -10.694 -18.286
   81   3HZ   LYS  10          3HZ       LYS  10   0.568 -11.256 -16.816
   82    H    GLY  11           HN       GLY  11   1.695  -9.476 -11.397
   83   1HA   GLY  11          1HA       GLY  11   4.633  -9.584 -11.742
   84   2HA   GLY  11          2HA       GLY  11   3.783  -8.157 -11.185
   85    H    ASN  12           HN       ASN  12   3.924  -7.855  -9.012
   86    HA   ASN  12           HA       ASN  12   3.019  -9.693  -7.201
   87   1HB   ASN  12          2HB       ASN  12   4.859 -11.149  -7.324
   88   2HB   ASN  12          3HB       ASN  12   5.966  -9.881  -7.808
   89   1HD2  ASN  12          1HD       ASN  12   7.358  -9.203  -6.372
   90   2HD2  ASN  12          2HD       ASN  12   7.236  -9.329  -4.649
   91    H    VAL  13           HN       VAL  13   2.385  -8.267  -5.574
   92    HA   VAL  13           HA       VAL  13   3.800  -5.740  -5.365
   93    HB   VAL  13           HB       VAL  13   1.355  -5.811  -5.596
   94   1HG1  VAL  13          1HG       VAL  13   0.199  -7.397  -4.530
   95   2HG1  VAL  13          2HG       VAL  13   1.588  -7.790  -3.488
   96   3HG1  VAL  13          3HG       VAL  13   0.466  -6.491  -3.021
   97   1HG2  VAL  13          1HG       VAL  13   2.722  -4.062  -4.208
   98   2HG2  VAL  13          2HG       VAL  13   0.944  -4.061  -4.129
   99   3HG2  VAL  13          3HG       VAL  13   1.894  -4.797  -2.815
  100    H    THR  14           HN       THR  14   4.039  -4.878  -3.000
  101    HA   THR  14           HA       THR  14   4.606  -6.961  -1.071
  102    HB   THR  14           HB       THR  14   6.775  -5.182  -2.304
  103    HG1  THR  14           HG1      THR  14   6.159  -8.041  -2.057
  104   1HG2  THR  14          1HG       THR  14   6.592  -6.382   0.345
  105   2HG2  THR  14          2HG       THR  14   7.824  -7.241  -0.611
  106   3HG2  THR  14          3HG       THR  14   7.952  -5.482  -0.369
  107    H    PHE  15           HN       PHE  15   3.588  -6.272   0.695
  108    HA   PHE  15           HA       PHE  15   3.217  -3.432   1.053
  109   1HB   PHE  15          2HB       PHE  15   2.451  -5.903   2.721
  110   2HB   PHE  15          3HB       PHE  15   1.805  -4.294   2.973
  111    HD1  PHE  15           HD1      PHE  15   1.956  -4.247  -0.376
  112    HD2  PHE  15           HD2      PHE  15  -0.093  -6.378   2.668
  113    HE1  PHE  15           HE1      PHE  15   0.090  -4.744  -1.979
  114    HE2  PHE  15           HE2      PHE  15  -1.959  -6.874   1.064
  115    HZ   PHE  15           HZ       PHE  15  -1.844  -6.051  -1.240
  116    H    ASP  16           HN       ASP  16   3.751  -2.320   3.086
  117    HA   ASP  16           HA       ASP  16   5.990  -3.608   4.437
  118   1HB   ASP  16          2HB       ASP  16   5.675  -0.777   3.395
  119   2HB   ASP  16          3HB       ASP  16   6.720  -1.078   4.769
  120    H    HIS  17           HN       HIS  17   5.702  -3.667   6.686
  121    HA   HIS  17           HA       HIS  17   3.545  -1.993   7.741
  122   1HB   HIS  17          2HB       HIS  17   3.799  -4.725   7.817
  123   2HB   HIS  17          3HB       HIS  17   4.489  -4.270   9.362
  124    HD1  HIS  17           HD1      HIS  17   2.821  -4.127  11.208
  125    HD2  HIS  17           HD2      HIS  17   1.097  -3.320   7.470
  126    HE1  HIS  17           HE1      HIS  17   0.332  -3.759  11.633
  127    H    LYS  18           HN       LYS  18   6.748  -3.469   8.625
  128    HA   LYS  18           HA       LYS  18   7.093  -1.333  10.575
  129   1HB   LYS  18          2HB       LYS  18   7.672  -4.049  10.614
  130   2HB   LYS  18          3HB       LYS  18   9.238  -3.312  10.339
  131   1HG   LYS  18          2HG       LYS  18   9.215  -3.115  12.636
  132   2HG   LYS  18          3HG       LYS  18   8.353  -1.634  12.274
  133   1HD   LYS  18          2HD       LYS  18   6.273  -3.446  12.262
  134   2HD   LYS  18          3HD       LYS  18   7.334  -4.180  13.447
  135   1HE   LYS  18          2HE       LYS  18   7.347  -2.170  14.815
  136   2HE   LYS  18          3HE       LYS  18   6.571  -1.230  13.557
  137   1HZ   LYS  18          1HZ       LYS  18   4.619  -1.915  14.270
  138   2HZ   LYS  18          2HZ       LYS  18   5.029  -3.492  14.175
  139   3HZ   LYS  18          3HZ       LYS  18   5.340  -2.648  15.538
  140    H    ALA  19           HN       ALA  19   7.736  -2.027   7.294
  141    HA   ALA  19           HA       ALA  19  10.239  -0.560   7.252
  142   1HB   ALA  19          1HB       ALA  19   8.601  -2.181   5.312
  143   2HB   ALA  19          2HB       ALA  19   9.794  -1.017   4.685
  144   3HB   ALA  19          3HB       ALA  19  10.318  -2.338   5.756
  145    H    HIS  20           HN       HIS  20   6.766  -0.119   6.748
  146    HA   HIS  20           HA       HIS  20   7.258   2.457   5.493
  147   1HB   HIS  20          2HB       HIS  20   4.975   0.559   5.650
  148   2HB   HIS  20          3HB       HIS  20   4.564   2.262   5.608
  149    HD1  HIS  20           HD1      HIS  20   7.631   1.227   3.727
  150    HD2  HIS  20           HD2      HIS  20   3.559   1.878   2.956
  151    HE1  HIS  20           HE1      HIS  20   7.391   1.330   1.189
  152    H    ALA  21           HN       ALA  21   5.794   0.932   8.414
  153    HA   ALA  21           HA       ALA  21   4.765   3.216   9.574
  154   1HB   ALA  21          1HB       ALA  21   4.223   1.055  10.447
  155   2HB   ALA  21          2HB       ALA  21   5.936   0.659  10.722
  156   3HB   ALA  21          3HB       ALA  21   5.135   1.892  11.724
  157    H    GLU  22           HN       GLU  22   8.061   2.322   8.923
  158    HA   GLU  22           HA       GLU  22   9.358   3.492  11.031
  159   1HB   GLU  22          2HB       GLU  22  10.115   3.163   8.105
  160   2HB   GLU  22          3HB       GLU  22  11.230   3.847   9.272
  161   1HG   GLU  22          2HG       GLU  22  10.042   1.414  10.358
  162   2HG   GLU  22          3HG       GLU  22  10.713   1.084   8.773
  163    H    LYS  23           HN       LYS  23   8.157   4.944   7.945
  164    HA   LYS  23           HA       LYS  23   8.753   7.578   9.096
  165   1HB   LYS  23          2HB       LYS  23   8.411   6.810   6.181
  166   2HB   LYS  23          3HB       LYS  23   8.794   8.407   6.792
  167   1HG   LYS  23          2HG       LYS  23  10.639   6.433   7.909
  168   2HG   LYS  23          3HG       LYS  23  10.623   6.322   6.161
  169   1HD   LYS  23          2HD       LYS  23  12.060   8.087   6.177
  170   2HD   LYS  23          3HD       LYS  23  10.667   9.077   6.562
  171   1HE   LYS  23          2HE       LYS  23  11.146   8.422   9.059
  172   2HE   LYS  23          3HE       LYS  23  12.716   7.902   8.478
  173   1HZ   LYS  23          1HZ       LYS  23  12.931  10.148   7.492
  174   2HZ   LYS  23          2HZ       LYS  23  11.570  10.595   8.275
  175   3HZ   LYS  23          3HZ       LYS  23  12.888  10.137   9.124
  176    H    LEU  24           HN       LEU  24   6.323   5.557   7.360
  177    HA   LEU  24           HA       LEU  24   4.327   7.540   7.368
  178   1HB   LEU  24          2HB       LEU  24   4.580   4.682   6.723
  179   2HB   LEU  24          3HB       LEU  24   2.985   5.163   7.268
  180    HG   LEU  24           HG       LEU  24   4.233   6.888   5.194
  181   1HD1  LEU  24          1HD       LEU  24   4.206   4.061   4.849
  182   2HD1  LEU  24          2HD       LEU  24   2.946   4.758   3.802
  183   3HD1  LEU  24          3HD       LEU  24   4.627   5.328   3.671
  184   1HD2  LEU  24          1HD       LEU  24   2.096   7.422   4.672
  185   2HD2  LEU  24          2HD       LEU  24   1.492   5.771   4.948
  186   3HD2  LEU  24          3HD       LEU  24   1.804   6.848   6.331
  187    H    GLY  25           HN       GLY  25   3.485   4.496   8.949
  188   1HA   GLY  25          1HA       GLY  25   3.704   4.619  11.517
  189   2HA   GLY  25          2HA       GLY  25   2.694   6.038  11.326
  190    H    CYS  26           HN       CYS  26   1.259   4.606  12.779
  191    HA   CYS  26           HA       CYS  26  -0.063   2.486  11.328
  192   1HB   CYS  26          2HB       CYS  26  -0.986   3.375  14.017
  193   2HB   CYS  26          3HB       CYS  26  -0.906   1.766  13.329
  194    H    ASP  27           HN       ASP  27  -0.917   5.566  13.081
  195    HA   ASP  27           HA       ASP  27  -3.527   5.662  12.307
  196   1HB   ASP  27          2HB       ASP  27  -1.449   7.674  13.118
  197   2HB   ASP  27          3HB       ASP  27  -2.903   8.316  12.379
  198    H    ALA  28           HN       ALA  28  -0.605   6.039  10.447
  199    HA   ALA  28           HA       ALA  28  -1.310   7.891   8.530
  200   1HB   ALA  28          1HB       ALA  28   0.593   5.647   8.840
  201   2HB   ALA  28          2HB       ALA  28   0.175   6.026   7.151
  202   3HB   ALA  28          3HB       ALA  28   0.853   7.289   8.205
  203    H    CYS  29           HN       CYS  29  -1.654   4.271   8.329
  204    HA   CYS  29           HA       CYS  29  -3.629   4.706   6.237
  205   1HB   CYS  29          2HB       CYS  29  -2.700   1.984   7.044
  206   2HB   CYS  29          3HB       CYS  29  -3.208   2.578   5.476
  207    H    HIS  30           HN       HIS  30  -3.093   3.383   9.529
  208    HA   HIS  30           HA       HIS  30  -5.872   2.559   9.666
  209   1HB   HIS  30          2HB       HIS  30  -3.657   2.266  11.713
  210   2HB   HIS  30          3HB       HIS  30  -5.247   1.532  11.788
  211    HD1  HIS  30           HD1      HIS  30  -5.587  -0.678  10.570
  212    HD2  HIS  30           HD2      HIS  30  -1.951   1.182   9.612
  213    HE1  HIS  30           HE1      HIS  30  -4.251  -2.376   9.212
  214    H    GLU  31           HN       GLU  31  -6.668   3.040  12.203
  215    HA   GLU  31           HA       GLU  31  -5.964   5.463  13.288
  216   1HB   GLU  31          2HB       GLU  31  -7.056   6.150  10.979
  217   2HB   GLU  31          3HB       GLU  31  -8.572   5.814  11.793
  218   1HG   GLU  31          2HG       GLU  31  -7.834   7.380  13.664
  219   2HG   GLU  31          3HG       GLU  31  -6.432   7.796  12.699
  220    H    GLY  32           HN       GLY  32  -6.447   4.901  15.366
  221   1HA   GLY  32          1HA       GLY  32  -7.626   4.245  17.163
  222   2HA   GLY  32          2HA       GLY  32  -9.090   4.556  16.250
  223    H    THR  33           HN       THR  33  -6.622   2.117  17.094
  224    HA   THR  33           HA       THR  33  -6.747  -0.103  17.219
  225    HB   THR  33           HB       THR  33  -9.697   0.165  16.451
  226    HG1  THR  33           HG1      THR  33  -8.801   1.580  18.255
  227   1HG2  THR  33          1HG       THR  33  -8.368  -1.727  18.440
  228   2HG2  THR  33          2HG       THR  33  -9.999  -1.844  17.737
  229   3HG2  THR  33          3HG       THR  33  -8.569  -2.172  16.729
  230    HA   PRO  34           HA       PRO  34  -5.996  -0.671  12.939
  231   1HB   PRO  34          2HB       PRO  34  -3.866  -2.359  13.232
  232   2HB   PRO  34          3HB       PRO  34  -3.706  -0.615  13.177
  233   1HG   PRO  34          2HG       PRO  34  -3.524  -2.419  15.512
  234   2HG   PRO  34          3HG       PRO  34  -2.960  -0.768  15.353
  235   1HD   PRO  34          2HD       PRO  34  -5.315  -1.651  16.732
  236   2HD   PRO  34          3HD       PRO  34  -4.812   0.007  16.475
  237    H    ALA  35           HN       ALA  35  -6.075  -2.432  11.363
  238    HA   ALA  35           HA       ALA  35  -6.792  -4.993  12.382
  239   1HB   ALA  35          1HB       ALA  35  -8.953  -4.309  12.808
  240   2HB   ALA  35          2HB       ALA  35  -8.901  -3.015  11.586
  241   3HB   ALA  35          3HB       ALA  35  -9.114  -4.709  11.081
  242    H    LYS  36           HN       LYS  36  -8.008  -6.120  10.195
  243    HA   LYS  36           HA       LYS  36  -5.875  -6.021   8.295
  244   1HB   LYS  36          2HB       LYS  36  -6.900  -7.923   7.321
  245   2HB   LYS  36          3HB       LYS  36  -7.064  -8.104   9.057
  246   1HG   LYS  36          2HG       LYS  36  -9.277  -8.462   8.629
  247   2HG   LYS  36          3HG       LYS  36  -9.383  -6.722   8.450
  248   1HD   LYS  36          2HD       LYS  36 -10.379  -7.695   6.472
  249   2HD   LYS  36          3HD       LYS  36  -8.846  -6.999   5.982
  250   1HE   LYS  36          2HE       LYS  36  -7.881  -9.060   5.558
  251   2HE   LYS  36          3HE       LYS  36  -8.716  -9.849   6.881
  252   1HZ   LYS  36          1HZ       LYS  36 -10.671  -9.134   5.126
  253   2HZ   LYS  36          2HZ       LYS  36  -9.463  -9.685   4.174
  254   3HZ   LYS  36          3HZ       LYS  36 -10.072 -10.637   5.353
  255    H    ILE  37           HN       ILE  37  -5.701  -4.535   6.715
  256    HA   ILE  37           HA       ILE  37  -7.999  -2.962   6.017
  257    HB   ILE  37           HB       ILE  37  -5.142  -2.949   5.037
  258   1HG1  ILE  37          2HG       ILE  37  -6.602  -1.264   7.090
  259   2HG1  ILE  37          3HG       ILE  37  -5.284  -2.380   7.383
  260   1HG2  ILE  37          1HG       ILE  37  -7.544  -1.489   4.141
  261   2HG2  ILE  37          2HG       ILE  37  -6.122  -0.474   4.478
  262   3HG2  ILE  37          3HG       ILE  37  -6.004  -1.807   3.306
  263   1HD1  ILE  37          1HD       ILE  37  -4.068  -0.838   5.527
  264   2HD1  ILE  37          2HD       ILE  37  -5.222   0.358   6.162
  265   3HD1  ILE  37          3HD       ILE  37  -4.058  -0.424   7.257
  266    H    ALA  38           HN       ALA  38  -8.926  -2.790   3.887
  267    HA   ALA  38           HA       ALA  38  -9.388  -5.261   2.686
  268   1HB   ALA  38          1HB       ALA  38 -10.578  -3.930   0.998
  269   2HB   ALA  38          2HB       ALA  38 -10.915  -3.304   2.629
  270   3HB   ALA  38          3HB       ALA  38  -9.767  -2.451   1.569
  271    H    ILE  39           HN       ILE  39  -8.851  -3.303   0.030
  272    HA   ILE  39           HA       ILE  39  -7.115  -2.991  -1.379
  273    HB   ILE  39           HB       ILE  39  -5.478  -4.824   0.375
  274   1HG1  ILE  39          2HG       ILE  39  -6.297  -2.051   0.744
  275   2HG1  ILE  39          3HG       ILE  39  -5.532  -3.159   1.866
  276   1HG2  ILE  39          1HG       ILE  39  -3.590  -4.139  -0.837
  277   2HG2  ILE  39          2HG       ILE  39  -4.823  -4.486  -2.073
  278   3HG2  ILE  39          3HG       ILE  39  -4.465  -2.802  -1.622
  279   1HD1  ILE  39          1HD       ILE  39  -3.336  -2.749   0.582
  280   2HD1  ILE  39          2HD       ILE  39  -4.184  -1.414  -0.234
  281   3HD1  ILE  39          3HD       ILE  39  -3.958  -1.380   1.531
  282    H    ASP  40           HN       ASP  40  -6.483  -4.143  -3.298
  283    HA   ASP  40           HA       ASP  40  -6.259  -6.697  -3.768
  284   1HB   ASP  40          2HB       ASP  40  -8.696  -7.342  -4.521
  285   2HB   ASP  40          3HB       ASP  40  -8.250  -7.515  -2.835
  286    H    LYS  41           HN       LYS  41  -7.240  -7.319  -6.143
  287    HA   LYS  41           HA       LYS  41  -6.512  -5.201  -7.844
  288   1HB   LYS  41          2HB       LYS  41  -6.196  -7.636  -8.303
  289   2HB   LYS  41          3HB       LYS  41  -7.926  -7.795  -8.525
  290   1HG   LYS  41          2HG       LYS  41  -7.262  -5.594 -10.144
  291   2HG   LYS  41          3HG       LYS  41  -5.903  -6.679 -10.356
  292   1HD   LYS  41          2HD       LYS  41  -7.421  -8.528 -10.978
  293   2HD   LYS  41          3HD       LYS  41  -8.823  -7.531 -10.645
  294   1HE   LYS  41          2HE       LYS  41  -7.348  -5.951 -12.429
  295   2HE   LYS  41          3HE       LYS  41  -7.077  -7.574 -13.032
  296   1HZ   LYS  41          1HZ       LYS  41  -9.689  -7.600 -12.516
  297   2HZ   LYS  41          2HZ       LYS  41  -9.490  -6.048 -12.981
  298   3HZ   LYS  41          3HZ       LYS  41  -9.046  -7.262 -13.978
  299    H    LYS  42           HN       LYS  42  -8.124  -3.688  -6.601
  300    HA   LYS  42           HA       LYS  42 -10.034  -2.853  -8.363
  301   1HB   LYS  42          2HB       LYS  42 -10.951  -5.207  -7.151
  302   2HB   LYS  42          3HB       LYS  42 -11.783  -3.923  -6.297
  303   1HG   LYS  42          2HG       LYS  42 -12.474  -2.929  -8.504
  304   2HG   LYS  42          3HG       LYS  42 -11.684  -4.255  -9.333
  305   1HD   LYS  42          2HD       LYS  42 -13.286  -5.826  -8.662
  306   2HD   LYS  42          3HD       LYS  42 -13.684  -4.958  -7.192
  307   1HE   LYS  42          2HE       LYS  42 -14.587  -3.098  -8.870
  308   2HE   LYS  42          3HE       LYS  42 -14.628  -4.421 -10.019
  309   1HZ   LYS  42          1HZ       LYS  42 -16.082  -5.607  -8.634
  310   2HZ   LYS  42          2HZ       LYS  42 -15.872  -4.597  -7.368
  311   3HZ   LYS  42          3HZ       LYS  42 -16.678  -4.088  -8.694
  312    H    SER  43           HN       SER  43  -8.975  -3.283  -4.986
  313    HA   SER  43           HA       SER  43  -9.935  -0.587  -4.457
  314   1HB   SER  43          2HB       SER  43 -10.604  -2.579  -2.953
  315   2HB   SER  43          3HB       SER  43  -8.941  -2.599  -2.401
  316    HG   SER  43           HG       SER  43  -9.528  -0.087  -2.118
  317    H    ALA  44           HN       ALA  44  -7.096  -2.778  -4.452
  318    HA   ALA  44           HA       ALA  44  -5.271  -1.115  -3.197
  319   1HB   ALA  44          1HB       ALA  44  -4.103  -3.002  -3.544
  320   2HB   ALA  44          2HB       ALA  44  -5.311  -3.566  -4.724
  321   3HB   ALA  44          3HB       ALA  44  -3.946  -2.557  -5.261
  322    H    HIS  45           HN       HIS  45  -6.936  -0.763  -6.224
  323    HA   HIS  45           HA       HIS  45  -4.892   1.073  -7.197
  324   1HB   HIS  45          2HB       HIS  45  -7.259  -0.280  -8.496
  325   2HB   HIS  45          3HB       HIS  45  -6.432   1.063  -9.258
  326    HD1  HIS  45           HD1      HIS  45  -5.681  -0.552 -11.201
  327    HD2  HIS  45           HD2      HIS  45  -4.159  -1.522  -7.415
  328    HE1  HIS  45           HE1      HIS  45  -3.799  -2.229 -11.596
  329    H    LYS  46           HN       LYS  46  -7.445   1.123  -5.094
  330    HA   LYS  46           HA       LYS  46  -8.400   3.730  -6.032
  331   1HB   LYS  46          2HB       LYS  46  -9.860   1.551  -5.325
  332   2HB   LYS  46          3HB       LYS  46  -9.760   2.365  -3.777
  333   1HG   LYS  46          2HG       LYS  46 -11.184   4.015  -4.436
  334   2HG   LYS  46          3HG       LYS  46 -10.309   4.281  -5.932
  335   1HD   LYS  46          2HD       LYS  46 -11.876   3.148  -7.115
  336   2HD   LYS  46          3HD       LYS  46 -11.677   1.730  -6.105
  337   1HE   LYS  46          2HE       LYS  46 -13.123   3.220  -4.373
  338   2HE   LYS  46          3HE       LYS  46 -13.669   3.977  -5.856
  339   1HZ   LYS  46          1HZ       LYS  46 -15.099   2.237  -5.627
  340   2HZ   LYS  46          2HZ       LYS  46 -13.983   1.553  -6.605
  341   3HZ   LYS  46          3HZ       LYS  46 -13.988   1.213  -5.007
  342    H    ASP  47           HN       ASP  47  -9.376   4.400  -3.301
  343    HA   ASP  47           HA       ASP  47  -7.316   5.944  -2.489
  344   1HB   ASP  47          2HB       ASP  47  -9.630   4.710  -0.943
  345   2HB   ASP  47          3HB       ASP  47  -8.528   5.837  -0.179
  346    H    ALA  48           HN       ALA  48  -7.903   2.500  -1.992
  347    HA   ALA  48           HA       ALA  48  -6.714   1.839   0.314
  348   1HB   ALA  48          1HB       ALA  48  -7.669   0.357  -1.541
  349   2HB   ALA  48          2HB       ALA  48  -6.064   0.444  -2.304
  350   3HB   ALA  48          3HB       ALA  48  -6.241  -0.277  -0.686
  351    H    CYS  49           HN       CYS  49  -4.778   1.874  -2.764
  352    HA   CYS  49           HA       CYS  49  -2.502   2.679  -1.114
  353   1HB   CYS  49          2HB       CYS  49  -2.830   0.816  -3.359
  354   2HB   CYS  49          3HB       CYS  49  -1.466   1.903  -3.544
  355    H    LYS  50           HN       LYS  50  -4.085   3.113  -4.362
  356    HA   LYS  50           HA       LYS  50  -2.561   5.333  -5.104
  357   1HB   LYS  50          2HB       LYS  50  -5.200   4.180  -5.984
  358   2HB   LYS  50          3HB       LYS  50  -4.641   5.708  -6.635
  359   1HG   LYS  50          2HG       LYS  50  -2.355   4.326  -6.974
  360   2HG   LYS  50          3HG       LYS  50  -3.445   2.956  -6.950
  361   1HD   LYS  50          2HD       LYS  50  -3.464   3.474  -9.228
  362   2HD   LYS  50          3HD       LYS  50  -4.858   4.386  -8.681
  363   1HE   LYS  50          2HE       LYS  50  -3.886   6.263  -9.508
  364   2HE   LYS  50          3HE       LYS  50  -2.661   6.128  -8.262
  365   1HZ   LYS  50          1HZ       LYS  50  -1.474   4.610  -9.784
  366   2HZ   LYS  50          2HZ       LYS  50  -2.558   4.963 -10.954
  367   3HZ   LYS  50          3HZ       LYS  50  -1.600   6.138 -10.347
  368    H    THR  51           HN       THR  51  -2.342   6.947  -3.575
  369    HA   THR  51           HA       THR  51  -4.130   8.967  -3.420
  370    HB   THR  51           HB       THR  51  -4.911   6.666  -1.691
  371    HG1  THR  51           HG1      THR  51  -6.140   7.824  -3.432
  372   1HG2  THR  51          1HG       THR  51  -5.979   8.496  -0.110
  373   2HG2  THR  51          2HG       THR  51  -4.312   7.964   0.213
  374   3HG2  THR  51          3HG       THR  51  -4.608   9.502  -0.634
  375    H    CYS  52           HN       CYS  52  -2.601   7.207  -0.646
  376    HA   CYS  52           HA       CYS  52  -1.351   9.524   0.271
  377   1HB   CYS  52          2HB       CYS  52  -1.667   7.904   1.884
  378   2HB   CYS  52          3HB       CYS  52  -1.100   6.602   0.857
  379    H    HIS  53           HN       HIS  53  -0.289   6.756  -1.798
  380    HA   HIS  53           HA       HIS  53   2.382   7.474  -1.977
  381   1HB   HIS  53          2HB       HIS  53   0.504   5.698  -3.391
  382   2HB   HIS  53          3HB       HIS  53   1.831   6.263  -4.387
  383    HD1  HIS  53           HD1      HIS  53   3.849   4.804  -4.296
  384    HD2  HIS  53           HD2      HIS  53   1.624   4.623  -0.744
  385    HE1  HIS  53           HE1      HIS  53   5.024   3.102  -2.802
  386    H    LYS  54           HN       LYS  54  -0.534   8.674  -3.639
  387    HA   LYS  54           HA       LYS  54   0.928  10.078  -5.640
  388   1HB   LYS  54          2HB       LYS  54  -1.933   9.892  -4.767
  389   2HB   LYS  54          3HB       LYS  54  -1.448  11.240  -5.777
  390   1HG   LYS  54          2HG       LYS  54  -0.389   9.554  -7.380
  391   2HG   LYS  54          3HG       LYS  54  -1.096   8.274  -6.413
  392   1HD   LYS  54          2HD       LYS  54  -2.855   8.503  -7.876
  393   2HD   LYS  54          3HD       LYS  54  -3.323   9.798  -6.791
  394   1HE   LYS  54          2HE       LYS  54  -2.537  11.489  -8.238
  395   2HE   LYS  54          3HE       LYS  54  -1.398  10.424  -9.038
  396   1HZ   LYS  54          1HZ       LYS  54  -4.118   9.607  -9.313
  397   2HZ   LYS  54          2HZ       LYS  54  -3.809  11.064  -9.982
  398   3HZ   LYS  54          3HZ       LYS  54  -2.955   9.753 -10.450
  399    H    SER  55           HN       SER  55   2.508  10.932  -3.911
  400    HA   SER  55           HA       SER  55   1.693  13.623  -3.400
  401   1HB   SER  55          2HB       SER  55   1.414  11.746  -1.315
  402   2HB   SER  55          3HB       SER  55   2.928  12.555  -0.959
  403    HG   SER  55           HG       SER  55   1.787  14.615  -1.145
  404    H    ASN  56           HN       ASN  56   4.227  11.394  -2.034
  405    HA   ASN  56           HA       ASN  56   6.239  13.272  -2.673
  406   1HB   ASN  56          2HB       ASN  56   6.105  10.532  -1.412
  407   2HB   ASN  56          3HB       ASN  56   7.660  11.039  -2.039
  408   1HD2  ASN  56          1HD       ASN  56   4.937  12.196  -0.070
  409   2HD2  ASN  56          2HD       ASN  56   5.863  13.091   1.089
  410    H    ASN  57           HN       ASN  57   6.418   9.722  -3.342
  411    HA   ASN  57           HA       ASN  57   7.417  10.383  -5.976
  412   1HB   ASN  57          2HB       ASN  57   7.440   7.751  -4.407
  413   2HB   ASN  57          3HB       ASN  57   8.175   7.968  -5.983
  414   1HD2  ASN  57          1HD       ASN  57   8.858   7.738  -2.853
  415   2HD2  ASN  57          2HD       ASN  57  10.277   8.720  -2.707
  416    H    GLY  58           HN       GLY  58   5.462   7.698  -4.454
  417   1HA   GLY  58          1HA       GLY  58   3.633   6.591  -5.143
  418   2HA   GLY  58          2HA       GLY  58   3.114   8.088  -5.891
  419    HA   PRO  59           HA       PRO  59   4.424   4.933  -9.071
  420   1HB   PRO  59          2HB       PRO  59   2.098   3.603  -9.613
  421   2HB   PRO  59          3HB       PRO  59   3.340   2.967  -8.553
  422   1HG   PRO  59          2HG       PRO  59   0.728   4.153  -7.842
  423   2HG   PRO  59          3HG       PRO  59   1.778   3.145  -6.867
  424   1HD   PRO  59          2HD       PRO  59   1.446   5.986  -6.655
  425   2HD   PRO  59          3HD       PRO  59   2.579   4.993  -5.760
  426    H    THR  60           HN       THR  60   2.942   4.412 -11.302
  427    HA   THR  60           HA       THR  60   1.255   6.444 -12.102
  428    HB   THR  60           HB       THR  60   4.164   7.150 -12.098
  429    HG1  THR  60           HG1      THR  60   2.879   8.649 -11.068
  430   1HG2  THR  60          1HG       THR  60   2.356   7.463 -14.518
  431   2HG2  THR  60          2HG       THR  60   3.481   8.774 -14.090
  432   3HG2  THR  60          3HG       THR  60   4.108   7.152 -14.468
  433    H    LYS  61           HN       LYS  61   4.047   4.391 -13.099
  434    HA   LYS  61           HA       LYS  61   2.340   3.475 -15.305
  435   1HB   LYS  61          2HB       LYS  61   4.438   3.173 -16.627
  436   2HB   LYS  61          3HB       LYS  61   4.018   4.843 -16.307
  437   1HG   LYS  61          2HG       LYS  61   5.596   4.751 -14.286
  438   2HG   LYS  61          3HG       LYS  61   6.121   3.178 -14.851
  439   1HD   LYS  61          2HD       LYS  61   6.138   5.242 -16.978
  440   2HD   LYS  61          3HD       LYS  61   7.201   5.626 -15.639
  441   1HE   LYS  61          2HE       LYS  61   7.558   2.832 -16.206
  442   2HE   LYS  61          3HE       LYS  61   7.583   3.669 -17.745
  443   1HZ   LYS  61          1HZ       LYS  61   9.060   5.224 -16.075
  444   2HZ   LYS  61          2HZ       LYS  61   9.505   3.701 -15.688
  445   3HZ   LYS  61          3HZ       LYS  61   9.638   4.224 -17.229
  446    H    CYS  62           HN       CYS  62   1.686   1.997 -13.418
  447    HA   CYS  62           HA       CYS  62   1.771   0.060 -12.383
  448   1HB   CYS  62          2HB       CYS  62   3.380  -0.681 -14.831
  449   2HB   CYS  62          3HB       CYS  62   2.843  -1.849 -13.638
  450    H    GLY  63           HN       GLY  63   5.034  -0.377 -13.852
  451   1HA   GLY  63          1HA       GLY  63   6.523  -1.352 -11.983
  452   2HA   GLY  63          2HA       GLY  63   7.099   0.038 -12.882
  453    H    GLY  64           HN       GLY  64   5.493   2.129 -11.875
  454   1HA   GLY  64          1HA       GLY  64   6.773   3.157  -9.791
  455   2HA   GLY  64          2HA       GLY  64   5.056   3.400 -10.035
  456    H    CYS  65           HN       CYS  65   3.965   0.870  -9.492
  457    HA   CYS  65           HA       CYS  65   4.597   0.665  -6.649
  458   1HB   CYS  65          2HB       CYS  65   2.157   0.885  -8.057
  459   2HB   CYS  65          3HB       CYS  65   2.209  -0.747  -7.421
  460    H    HIS  66           HN       HIS  66   3.277  -1.507  -9.263
  461    HA   HIS  66           HA       HIS  66   4.280  -3.826  -8.100
  462   1HB   HIS  66          2HB       HIS  66   3.306  -3.127 -10.867
  463   2HB   HIS  66          3HB       HIS  66   3.909  -4.730 -10.498
  464    HD1  HIS  66           HD1      HIS  66   2.097  -6.324  -9.893
  465    HD2  HIS  66           HD2      HIS  66   1.165  -2.396  -8.757
  466    HE1  HIS  66           HE1      HIS  66  -0.228  -6.416  -8.847
  467    H    ILE  67           HN       ILE  67   6.030  -5.249  -8.847
  468    HA   ILE  67           HA       ILE  67   8.368  -3.678  -9.473
  469    HB   ILE  67           HB       ILE  67   7.939  -6.564  -8.710
  470   1HG1  ILE  67          2HG       ILE  67   9.482  -4.601  -7.069
  471   2HG1  ILE  67          3HG       ILE  67   7.737  -4.441  -7.097
  472   1HG2  ILE  67          1HG       ILE  67   9.860  -6.836  -9.909
  473   2HG2  ILE  67          2HG       ILE  67  10.375  -5.146  -9.693
  474   3HG2  ILE  67          3HG       ILE  67  10.554  -6.309  -8.358
  475   1HD1  ILE  67          1HD       ILE  67   9.428  -6.662  -5.998
  476   2HD1  ILE  67          2HD       ILE  67   7.917  -5.966  -5.367
  477   3HD1  ILE  67          3HD       ILE  67   7.868  -7.116  -6.724
  478    H    LYS  68           HN       LYS  68   8.147  -3.019 -11.631
  479    HA   LYS  68           HA       LYS  68   8.115  -5.242 -13.552
  480   1HB   LYS  68          2HB       LYS  68   6.120  -3.574 -13.460
  481   2HB   LYS  68          3HB       LYS  68   7.222  -2.443 -14.217
  482   1HG   LYS  68          2HG       LYS  68   6.315  -3.430 -16.119
  483   2HG   LYS  68          3HG       LYS  68   7.697  -4.479 -15.878
  484   1HD   LYS  68          2HD       LYS  68   6.134  -5.975 -14.453
  485   2HD   LYS  68          3HD       LYS  68   4.807  -5.015 -15.076
  486   1HE   LYS  68          2HE       LYS  68   4.871  -6.754 -16.645
  487   2HE   LYS  68          3HE       LYS  68   5.862  -5.551 -17.445
  488   1HZ   LYS  68          1HZ       LYS  68   6.755  -7.899 -17.210
  489   2HZ   LYS  68          2HZ       LYS  68   7.775  -6.667 -16.878
  490   3HZ   LYS  68          3HZ       LYS  68   7.087  -7.508 -15.659
  491    HHA  HEC  98           HGM      HEC  98  -4.039  -5.283   8.249
  492    HHB  HEC  98           HDM      HEC  98  -1.645  -2.749  13.427
  493    HHC  HEC  98           HAM      HEC  98   1.548   1.355   9.812
  494    HHD  HEC  98           HBM      HEC  98  -1.295  -1.003   4.795
  495   1HMA  HEC  98          1HM       HEC  98  -2.165  -6.049  13.490
  496   2HMA  HEC  98          2HM       HEC  98  -2.739  -4.467  14.070
  497   3HMA  HEC  98          3HM       HEC  98  -3.908  -5.689  13.518
  498   1HAA  HEC  98          1HA       HEC  98  -4.262  -7.028  11.539
  499   2HAA  HEC  98          2HA       HEC  98  -4.958  -6.331  10.057
  500   1HBA  HEC  98          3HB       HEC  98  -3.825  -7.981   8.914
  501   2HBA  HEC  98          4HB       HEC  98  -2.344  -7.065   9.276
  502   1HMB  HEC  98          1HM       HEC  98  -1.156  -1.308  14.700
  503   2HMB  HEC  98          2HM       HEC  98   0.550  -0.879  14.963
  504   3HMB  HEC  98          3HM       HEC  98  -0.669   0.402  14.759
  505    HAB  HEC  98           HT2      HEC  98   1.936   1.871  11.724
  506   1HBB  HEC  98          1HT       HEC  98   3.712   1.623  13.110
  507   2HBB  HEC  98          2HT       HEC  98   2.900   0.385  14.099
  508   3HBB  HEC  98          3HT       HEC  98   3.371   0.017  12.421
  509   1HMC  HEC  98          1HM       HEC  98   2.573   2.279   8.376
  510   2HMC  HEC  98          2HM       HEC  98   2.619   2.438   6.605
  511   3HMC  HEC  98          3HM       HEC  98   1.438   3.373   7.551
  512    HAC  HEC  98           HT4      HEC  98  -0.649   1.030   4.312
  513   1HBC  HEC  98          1HT       HEC  98   1.893   2.419   3.906
  514   2HBC  HEC  98          2HT       HEC  98   2.140   0.752   4.476
  515   3HBC  HEC  98          3HT       HEC  98   1.186   1.057   3.004
  516   1HMD  HEC  98          1HM       HEC  98  -3.934  -2.901   3.354
  517   2HMD  HEC  98          2HM       HEC  98  -2.639  -1.682   3.420
  518   3HMD  HEC  98          3HM       HEC  98  -2.238  -3.391   3.130
  519   1HAD  HEC  98          1HA       HEC  98  -4.293  -5.890   6.085
  520   2HAD  HEC  98          2HA       HEC  98  -4.826  -4.876   4.723
  521   1HBD  HEC  98          3HB       HEC  98  -2.075  -5.585   4.357
  522   2HBD  HEC  98          4HB       HEC  98  -3.033  -7.048   4.690
  523    HHA  HEC 128           HGM      HEC 128   8.227   3.552  -0.692
  524    HHB  HEC 128           HDM      HEC 128   4.615  -1.153  -2.637
  525    HHC  HEC 128           HAM      HEC 128  -0.154   1.243   0.774
  526    HHD  HEC 128           HBM      HEC 128   3.461   6.103   2.233
  527   1HMA  HEC 128          1HM       HEC 128   7.587  -1.953  -2.147
  528   2HMA  HEC 128          2HM       HEC 128   6.662  -1.426  -3.573
  529   3HMA  HEC 128          3HM       HEC 128   8.361  -0.933  -3.383
  530   1HAA  HEC 128          1HA       HEC 128   9.656   0.666  -2.478
  531   2HAA  HEC 128          2HA       HEC 128   9.432   2.355  -1.962
  532   1HBA  HEC 128          3HB       HEC 128   9.797   1.816   0.358
  533   2HBA  HEC 128          4HB       HEC 128   9.532   0.079   0.083
  534   1HMB  HEC 128          1HM       HEC 128   1.074  -2.469  -2.926
  535   2HMB  HEC 128          2HM       HEC 128   2.335  -1.600  -3.833
  536   3HMB  HEC 128          3HM       HEC 128   2.792  -2.815  -2.614
  537    HAB  HEC 128           HT2      HEC 128  -0.978  -0.252  -0.468
  538   1HBB  HEC 128          1HT       HEC 128  -1.322  -2.724   0.170
  539   2HBB  HEC 128          2HT       HEC 128   0.421  -2.620   0.516
  540   3HBB  HEC 128          3HT       HEC 128  -0.710  -1.490   1.297
  541   1HMC  HEC 128          1HM       HEC 128  -1.793   3.977   1.771
  542   2HMC  HEC 128          2HM       HEC 128  -1.427   2.235   1.753
  543   3HMC  HEC 128          3HM       HEC 128  -1.241   3.169   3.257
  544    HAC  HEC 128           HT4      HEC 128   1.422   6.536   3.016
  545   1HBC  HEC 128          1HT       HEC 128  -0.381   5.005   4.263
  546   2HBC  HEC 128          2HT       HEC 128  -0.446   6.781   4.353
  547   3HBC  HEC 128          3HT       HEC 128  -1.509   5.908   3.224
  548   1HMD  HEC 128          1HM       HEC 128   6.733   7.641   2.506
  549   2HMD  HEC 128          2HM       HEC 128   5.375   8.145   1.474
  550   3HMD  HEC 128          3HM       HEC 128   5.060   7.306   3.012
  551   1HAD  HEC 128          1HA       HEC 128   8.842   5.891   0.124
  552   2HAD  HEC 128          2HA       HEC 128   8.309   6.934   1.464
  553   1HBD  HEC 128          3HB       HEC 128   9.089   4.037   1.799
  554   2HBD  HEC 128          4HB       HEC 128  10.209   5.406   1.998
  555    HHA  HEC 158           HGM      HEC 158  -3.062  -7.130  -7.035
  556    HHB  HEC 158           HDM      HEC 158  -2.156  -5.606 -13.021
  557    HHC  HEC 158           HAM      HEC 158  -0.713   0.283 -11.189
  558    HHD  HEC 158           HBM      HEC 158  -1.215  -1.546  -5.254
  559   1HMA  HEC 158          1HM       HEC 158  -2.701  -8.634 -12.389
  560   2HMA  HEC 158          2HM       HEC 158  -4.430  -8.491 -11.988
  561   3HMA  HEC 158          3HM       HEC 158  -3.658  -7.281 -13.040
  562   1HAA  HEC 158          1HA       HEC 158  -4.117  -8.455  -7.945
  563   2HAA  HEC 158          2HA       HEC 158  -5.047  -8.776  -9.428
  564   1HBA  HEC 158          3HB       HEC 158  -2.259  -9.476  -9.908
  565   2HBA  HEC 158          4HB       HEC 158  -2.796 -10.271  -8.409
  566   1HMB  HEC 158          1HM       HEC 158  -0.551  -4.731 -14.562
  567   2HMB  HEC 158          2HM       HEC 158  -2.044  -3.968 -15.157
  568   3HMB  HEC 158          3HM       HEC 158  -0.484  -3.133 -15.342
  569    HAB  HEC 158           HT2      HEC 158   0.323  -0.336 -13.646
  570   1HBB  HEC 158          1HT       HEC 158  -1.951   1.117 -14.296
  571   2HBB  HEC 158          2HT       HEC 158  -2.131   0.510 -12.632
  572   3HBB  HEC 158          3HT       HEC 158  -0.678   1.430 -13.092
  573   1HMC  HEC 158          1HM       HEC 158  -0.475   2.751  -8.606
  574   2HMC  HEC 158          2HM       HEC 158   0.927   2.012  -9.416
  575   3HMC  HEC 158          3HM       HEC 158  -0.646   2.081 -10.245
  576    HAC  HEC 158           HT4      HEC 158  -0.035   0.261  -5.280
  577   1HBC  HEC 158          1HT       HEC 158  -0.198   2.724  -4.928
  578   2HBC  HEC 158          2HT       HEC 158  -0.666   2.919  -6.634
  579   3HBC  HEC 158          3HT       HEC 158  -1.722   2.020  -5.519
  580   1HMD  HEC 158          1HM       HEC 158  -2.116  -2.322  -3.367
  581   2HMD  HEC 158          2HM       HEC 158  -2.291  -3.980  -2.746
  582   3HMD  HEC 158          3HM       HEC 158  -0.684  -3.366  -3.200
  583   1HAD  HEC 158          1HA       HEC 158  -3.078  -5.674  -3.262
  584   2HAD  HEC 158          2HA       HEC 158  -4.203  -6.228  -4.525
  585   1HBD  HEC 158          3HB       HEC 158  -1.729  -7.417  -5.119
  586   2HBD  HEC 158          4HB       HEC 158  -1.948  -7.571  -3.360
  Start of MODEL   20
    1    H    ALA   1           HN       ALA   1   3.242 -10.034   9.261
    2    HA   ALA   1           HA       ALA   1   3.331  -7.955   8.498
    3   1HB   ALA   1          1HB       ALA   1   4.095  -6.904  11.227
    4   2HB   ALA   1          2HB       ALA   1   3.090  -6.144   9.970
    5   3HB   ALA   1          3HB       ALA   1   2.451  -7.509  10.917
    6    H    ASP   2           HN       ASP   2   5.249  -5.887   9.813
    7    HA   ASP   2           HA       ASP   2   7.289  -5.209   9.538
    8   1HB   ASP   2          2HB       ASP   2   7.766  -8.165   9.961
    9   2HB   ASP   2          3HB       ASP   2   9.122  -7.162   9.485
   10    H    VAL   3           HN       VAL   3   5.787  -5.448   7.182
   11    HA   VAL   3           HA       VAL   3   6.191  -5.195   4.995
   12    HB   VAL   3           HB       VAL   3   8.842  -6.594   5.258
   13   1HG1  VAL   3          1HG       VAL   3   8.245  -6.208   2.994
   14   2HG1  VAL   3          2HG       VAL   3   7.663  -4.563   3.346
   15   3HG1  VAL   3          3HG       VAL   3   9.405  -4.926   3.417
   16   1HG2  VAL   3          1HG       VAL   3   9.504  -5.031   6.722
   17   2HG2  VAL   3          2HG       VAL   3   9.416  -3.883   5.365
   18   3HG2  VAL   3          3HG       VAL   3   8.035  -4.057   6.475
   19    H    VAL   4           HN       VAL   4   4.732  -6.468   3.976
   20    HA   VAL   4           HA       VAL   4   5.134  -9.366   4.169
   21    HB   VAL   4           HB       VAL   4   2.640  -8.017   3.189
   22   1HG1  VAL   4          1HG       VAL   4   1.938 -10.131   3.099
   23   2HG1  VAL   4          2HG       VAL   4   3.481 -10.703   3.779
   24   3HG1  VAL   4          3HG       VAL   4   2.142 -10.254   4.863
   25   1HG2  VAL   4          1HG       VAL   4   3.234  -6.907   5.319
   26   2HG2  VAL   4          2HG       VAL   4   1.767  -7.903   5.463
   27   3HG2  VAL   4          3HG       VAL   4   3.313  -8.498   6.112
   28    H    THR   5           HN       THR   5   4.995 -10.667   2.243
   29    HA   THR   5           HA       THR   5   5.461  -9.105  -0.213
   30    HB   THR   5           HB       THR   5   6.780 -11.622   0.905
   31    HG1  THR   5           HG1      THR   5   7.626  -9.055  -0.244
   32   1HG2  THR   5          1HG       THR   5   7.678 -10.514  -1.717
   33   2HG2  THR   5          2HG       THR   5   7.598 -12.207  -1.176
   34   3HG2  THR   5          3HG       THR   5   6.133 -11.396  -1.777
   35    H    TYR   6           HN       TYR   6   3.920  -9.294  -1.701
   36    HA   TYR   6           HA       TYR   6   2.177 -11.644  -1.513
   37   1HB   TYR   6          2HB       TYR   6   2.037  -8.737  -2.259
   38   2HB   TYR   6          3HB       TYR   6   1.146  -9.777  -3.352
   39    HD1  TYR   6           HD1      TYR   6   1.567  -9.187   0.331
   40    HD2  TYR   6           HD2      TYR   6  -1.073 -10.267  -2.857
   41    HE1  TYR   6           HE1      TYR   6  -0.388  -9.229   1.956
   42    HE2  TYR   6           HE2      TYR   6  -3.020 -10.305  -1.222
   43    HH   TYR   6           HH       TYR   6  -2.729 -10.570   1.918
   44    H    GLU   7           HN       GLU   7   1.457 -12.683  -3.530
   45    HA   GLU   7           HA       GLU   7   3.283 -12.217  -5.740
   46   1HB   GLU   7          2HB       GLU   7   2.900 -14.757  -4.185
   47   2HB   GLU   7          3HB       GLU   7   3.069 -14.909  -5.923
   48   1HG   GLU   7          2HG       GLU   7   5.092 -13.101  -5.316
   49   2HG   GLU   7          3HG       GLU   7   5.089 -14.119  -3.891
   50    H    ASN   8           HN       ASN   8   2.378 -12.620  -7.826
   51    HA   ASN   8           HA       ASN   8  -0.264 -13.727  -7.914
   52   1HB   ASN   8          2HB       ASN   8  -1.009 -11.655  -9.331
   53   2HB   ASN   8          3HB       ASN   8  -0.989 -11.478  -7.589
   54   1HD2  ASN   8          1HD       ASN   8   0.181  -9.935  -6.690
   55   2HD2  ASN   8          2HD       ASN   8   1.344  -8.926  -7.484
   56    H    LYS   9           HN       LYS   9  -0.980 -13.268 -10.515
   57    HA   LYS   9           HA       LYS   9   1.293 -14.333 -11.989
   58   1HB   LYS   9          2HB       LYS   9  -1.692 -14.320 -12.454
   59   2HB   LYS   9          3HB       LYS   9  -0.562 -14.766 -13.717
   60   1HG   LYS   9          2HG       LYS   9   0.275 -16.639 -12.471
   61   2HG   LYS   9          3HG       LYS   9  -0.407 -16.054 -10.967
   62   1HD   LYS   9          2HD       LYS   9  -1.922 -17.754 -11.590
   63   2HD   LYS   9          3HD       LYS   9  -2.731 -16.301 -12.145
   64   1HE   LYS   9          2HE       LYS   9  -2.890 -17.731 -14.021
   65   2HE   LYS   9          3HE       LYS   9  -1.516 -16.721 -14.425
   66   1HZ   LYS   9          1HZ       LYS   9  -0.920 -19.104 -12.923
   67   2HZ   LYS   9          2HZ       LYS   9  -1.433 -19.343 -14.455
   68   3HZ   LYS   9          3HZ       LYS   9  -0.111 -18.427 -14.171
   69    H    LYS  10           HN       LYS  10   1.282 -11.519 -11.176
   70    HA   LYS  10           HA       LYS  10   1.881 -10.407 -13.710
   71   1HB   LYS  10          2HB       LYS  10  -0.820 -10.189 -12.974
   72   2HB   LYS  10          3HB       LYS  10  -0.127  -8.625 -12.597
   73   1HG   LYS  10          2HG       LYS  10   0.521  -8.212 -14.827
   74   2HG   LYS  10          3HG       LYS  10   0.582  -9.915 -15.238
   75   1HD   LYS  10          2HD       LYS  10  -2.093  -8.805 -14.424
   76   2HD   LYS  10          3HD       LYS  10  -1.470  -8.309 -15.984
   77   1HE   LYS  10          2HE       LYS  10  -0.991 -11.103 -15.875
   78   2HE   LYS  10          3HE       LYS  10  -2.586 -10.898 -15.179
   79   1HZ   LYS  10          1HZ       LYS  10  -1.786 -10.616 -17.858
   80   2HZ   LYS  10          2HZ       LYS  10  -3.296 -10.688 -17.239
   81   3HZ   LYS  10          3HZ       LYS  10  -2.528  -9.252 -17.350
   82    H    GLY  11           HN       GLY  11   3.711 -10.757 -11.932
   83   1HA   GLY  11          1HA       GLY  11   5.350  -9.451 -10.996
   84   2HA   GLY  11          2HA       GLY  11   4.241  -8.098 -10.888
   85    H    ASN  12           HN       ASN  12   4.715  -7.630  -8.683
   86    HA   ASN  12           HA       ASN  12   3.187  -9.159  -6.875
   87   1HB   ASN  12          2HB       ASN  12   5.234  -9.510  -5.291
   88   2HB   ASN  12          3HB       ASN  12   5.056 -10.628  -6.629
   89   1HD2  ASN  12          1HD       ASN  12   7.168  -8.734  -4.995
   90   2HD2  ASN  12          2HD       ASN  12   8.400  -8.483  -6.187
   91    H    VAL  13           HN       VAL  13   2.980  -7.962  -4.794
   92    HA   VAL  13           HA       VAL  13   4.239  -5.308  -4.870
   93    HB   VAL  13           HB       VAL  13   1.956  -5.084  -5.576
   94   1HG1  VAL  13          1HG       VAL  13   1.161  -7.251  -4.580
   95   2HG1  VAL  13          2HG       VAL  13   1.090  -6.435  -3.000
   96   3HG1  VAL  13          3HG       VAL  13   0.056  -5.877  -4.337
   97   1HG2  VAL  13          1HG       VAL  13   2.710  -3.278  -4.208
   98   2HG2  VAL  13          2HG       VAL  13   1.051  -3.664  -3.689
   99   3HG2  VAL  13          3HG       VAL  13   2.438  -4.206  -2.714
  100    H    THR  14           HN       THR  14   5.866  -5.703  -3.377
  101    HA   THR  14           HA       THR  14   5.294  -7.173  -0.975
  102    HB   THR  14           HB       THR  14   7.668  -5.761  -2.241
  103    HG1  THR  14           HG1      THR  14   8.374  -8.022  -2.005
  104   1HG2  THR  14          1HG       THR  14   7.363  -6.731   0.633
  105   2HG2  THR  14          2HG       THR  14   8.933  -6.808  -0.200
  106   3HG2  THR  14          3HG       THR  14   8.136  -5.237   0.053
  107    H    PHE  15           HN       PHE  15   3.541  -6.029  -0.024
  108    HA   PHE  15           HA       PHE  15   3.380  -3.368   0.446
  109   1HB   PHE  15          2HB       PHE  15   2.727  -5.835   2.156
  110   2HB   PHE  15          3HB       PHE  15   2.187  -4.234   2.624
  111    HD1  PHE  15           HD1      PHE  15   0.888  -7.042   1.463
  112    HD2  PHE  15           HD2      PHE  15   1.292  -3.026   0.155
  113    HE1  PHE  15           HE1      PHE  15  -1.149  -7.307   0.020
  114    HE2  PHE  15           HE2      PHE  15  -0.744  -3.290  -1.288
  115    HZ   PHE  15           HZ       PHE  15  -1.940  -5.427  -1.339
  116    H    ASP  16           HN       ASP  16   3.674  -2.130   2.544
  117    HA   ASP  16           HA       ASP  16   6.149  -2.995   3.819
  118   1HB   ASP  16          2HB       ASP  16   5.249  -0.254   2.870
  119   2HB   ASP  16          3HB       ASP  16   6.420  -0.391   4.166
  120    H    HIS  17           HN       HIS  17   6.031  -3.029   6.095
  121    HA   HIS  17           HA       HIS  17   3.665  -1.754   7.263
  122   1HB   HIS  17          2HB       HIS  17   4.135  -4.435   7.170
  123   2HB   HIS  17          3HB       HIS  17   4.899  -4.034   8.695
  124    HD1  HIS  17           HD1      HIS  17   3.373  -4.050  10.671
  125    HD2  HIS  17           HD2      HIS  17   1.307  -3.334   7.091
  126    HE1  HIS  17           HE1      HIS  17   0.898  -3.940  11.284
  127    H    LYS  18           HN       LYS  18   7.026  -2.939   7.978
  128    HA   LYS  18           HA       LYS  18   7.216  -1.007  10.123
  129   1HB   LYS  18          2HB       LYS  18   8.359  -3.543   9.544
  130   2HB   LYS  18          3HB       LYS  18   9.678  -2.391   9.568
  131   1HG   LYS  18          2HG       LYS  18   7.644  -2.105  11.754
  132   2HG   LYS  18          3HG       LYS  18   8.648  -3.540  11.822
  133   1HD   LYS  18          2HD       LYS  18  10.623  -2.326  12.143
  134   2HD   LYS  18          3HD       LYS  18  10.025  -0.914  11.296
  135   1HE   LYS  18          2HE       LYS  18   9.874  -0.111  13.467
  136   2HE   LYS  18          3HE       LYS  18   8.284  -0.839  13.342
  137   1HZ   LYS  18          1HZ       LYS  18  10.022  -1.432  15.233
  138   2HZ   LYS  18          2HZ       LYS  18   8.857  -2.464  14.739
  139   3HZ   LYS  18          3HZ       LYS  18  10.380  -2.618  14.169
  140    H    ALA  19           HN       ALA  19   8.503  -1.620   6.825
  141    HA   ALA  19           HA       ALA  19  10.386   0.459   6.860
  142   1HB   ALA  19          1HB       ALA  19   9.694   0.175   4.225
  143   2HB   ALA  19          2HB       ALA  19  10.819  -0.900   5.090
  144   3HB   ALA  19          3HB       ALA  19   9.112  -1.366   4.900
  145    H    HIS  20           HN       HIS  20   6.871   0.328   6.349
  146    HA   HIS  20           HA       HIS  20   6.850   3.041   5.356
  147   1HB   HIS  20          2HB       HIS  20   4.902   0.801   5.581
  148   2HB   HIS  20          3HB       HIS  20   4.242   2.423   5.664
  149    HD1  HIS  20           HD1      HIS  20   7.222   1.587   3.470
  150    HD2  HIS  20           HD2      HIS  20   3.115   2.360   3.107
  151    HE1  HIS  20           HE1      HIS  20   6.763   1.856   0.973
  152    H    ALA  21           HN       ALA  21   5.567   1.169   8.193
  153    HA   ALA  21           HA       ALA  21   4.366   3.070   9.623
  154   1HB   ALA  21          1HB       ALA  21   5.350   1.866  11.657
  155   2HB   ALA  21          2HB       ALA  21   4.522   0.840  10.461
  156   3HB   ALA  21          3HB       ALA  21   6.300   0.901  10.503
  157    H    GLU  22           HN       GLU  22   7.838   2.861   8.890
  158    HA   GLU  22           HA       GLU  22   8.816   4.505  10.834
  159   1HB   GLU  22          2HB       GLU  22   9.724   4.362   7.925
  160   2HB   GLU  22          3HB       GLU  22  10.690   4.935   9.270
  161   1HG   GLU  22          2HG       GLU  22   9.705   2.370  10.053
  162   2HG   GLU  22          3HG       GLU  22  10.226   2.196   8.389
  163    H    LYS  23           HN       LYS  23   7.512   5.381   7.562
  164    HA   LYS  23           HA       LYS  23   7.597   8.186   8.352
  165   1HB   LYS  23          2HB       LYS  23   7.084   6.841   5.683
  166   2HB   LYS  23          3HB       LYS  23   7.029   8.572   5.945
  167   1HG   LYS  23          2HG       LYS  23   9.485   7.560   7.096
  168   2HG   LYS  23          3HG       LYS  23   9.337   6.925   5.469
  169   1HD   LYS  23          2HD       LYS  23   8.954   9.233   4.594
  170   2HD   LYS  23          3HD       LYS  23   9.075   9.876   6.221
  171   1HE   LYS  23          2HE       LYS  23  11.370   8.157   5.397
  172   2HE   LYS  23          3HE       LYS  23  11.201   9.636   4.473
  173   1HZ   LYS  23          1HZ       LYS  23  11.741   9.307   7.296
  174   2HZ   LYS  23          2HZ       LYS  23  12.374  10.374   6.235
  175   3HZ   LYS  23          3HZ       LYS  23  10.880  10.621   6.848
  176    H    LEU  24           HN       LEU  24   5.270   5.780   6.932
  177    HA   LEU  24           HA       LEU  24   3.010   7.268   7.046
  178   1HB   LEU  24          2HB       LEU  24   3.472   4.331   7.528
  179   2HB   LEU  24          3HB       LEU  24   1.864   5.028   7.476
  180    HG   LEU  24           HG       LEU  24   2.468   5.919   5.158
  181   1HD1  LEU  24          1HD       LEU  24   4.249   4.256   4.109
  182   2HD1  LEU  24          2HD       LEU  24   4.725   5.804   4.847
  183   3HD1  LEU  24          3HD       LEU  24   4.895   4.290   5.768
  184   1HD2  LEU  24          1HD       LEU  24   2.539   2.980   4.911
  185   2HD2  LEU  24          2HD       LEU  24   1.260   3.620   5.971
  186   3HD2  LEU  24          3HD       LEU  24   1.371   4.167   4.281
  187    H    GLY  25           HN       GLY  25   3.141   4.711   9.530
  188   1HA   GLY  25          1HA       GLY  25   3.507   5.356  11.877
  189   2HA   GLY  25          2HA       GLY  25   2.540   6.782  11.559
  190    H    CYS  26           HN       CYS  26   1.869   3.528  10.194
  191    HA   CYS  26           HA       CYS  26   0.201   2.127  10.456
  192   1HB   CYS  26          2HB       CYS  26  -0.702   3.131  13.096
  193   2HB   CYS  26          3HB       CYS  26  -0.450   1.491  12.534
  194    H    ASP  27           HN       ASP  27  -1.092   4.893  12.431
  195    HA   ASP  27           HA       ASP  27  -3.581   4.932  11.631
  196   1HB   ASP  27          2HB       ASP  27  -1.726   7.341  11.886
  197   2HB   ASP  27          3HB       ASP  27  -3.469   7.494  11.779
  198    H    ALA  28           HN       ALA  28  -0.750   6.200   9.783
  199    HA   ALA  28           HA       ALA  28  -1.838   7.595   7.780
  200   1HB   ALA  28          1HB       ALA  28   0.582   6.313   8.295
  201   2HB   ALA  28          2HB       ALA  28   0.046   5.590   6.758
  202   3HB   ALA  28          3HB       ALA  28   0.225   7.356   6.897
  203    H    CYS  29           HN       CYS  29  -2.233   4.124   8.406
  204    HA   CYS  29           HA       CYS  29  -3.891   3.994   5.992
  205   1HB   CYS  29          2HB       CYS  29  -2.889   1.472   7.184
  206   2HB   CYS  29          3HB       CYS  29  -3.183   1.896   5.508
  207    H    HIS  30           HN       HIS  30  -3.371   2.258   9.159
  208    HA   HIS  30           HA       HIS  30  -6.102   1.604   9.381
  209   1HB   HIS  30          2HB       HIS  30  -4.000   1.632  11.561
  210   2HB   HIS  30          3HB       HIS  30  -5.505   0.735  11.560
  211    HD1  HIS  30           HD1      HIS  30  -5.602  -1.472  10.206
  212    HD2  HIS  30           HD2      HIS  30  -1.947   0.559   9.889
  213    HE1  HIS  30           HE1      HIS  30  -3.973  -3.100   9.108
  214    H    GLU  31           HN       GLU  31  -6.953   2.193  11.920
  215    HA   GLU  31           HA       GLU  31  -6.517   4.896  12.568
  216   1HB   GLU  31          2HB       GLU  31  -8.308   4.568  10.466
  217   2HB   GLU  31          3HB       GLU  31  -9.377   4.638  11.853
  218   1HG   GLU  31          2HG       GLU  31  -7.574   6.689  12.408
  219   2HG   GLU  31          3HG       GLU  31  -7.694   6.771  10.661
  220    H    GLY  32           HN       GLY  32  -6.435   4.566  14.755
  221   1HA   GLY  32          1HA       GLY  32  -6.992   3.866  16.818
  222   2HA   GLY  32          2HA       GLY  32  -8.654   4.103  16.313
  223    H    THR  33           HN       THR  33  -6.159   1.783  17.065
  224    HA   THR  33           HA       THR  33  -6.128  -0.438  17.194
  225    HB   THR  33           HB       THR  33  -9.166  -0.060  17.340
  226    HG1  THR  33           HG1      THR  33  -7.520   1.135  18.799
  227   1HG2  THR  33          1HG       THR  33  -7.471  -2.157  18.757
  228   2HG2  THR  33          2HG       THR  33  -9.236  -2.134  18.525
  229   3HG2  THR  33          3HG       THR  33  -8.162  -2.484  17.150
  230    HA   PRO  34           HA       PRO  34  -6.614  -1.350  12.931
  231   1HB   PRO  34          2HB       PRO  34  -4.423  -2.970  12.723
  232   2HB   PRO  34          3HB       PRO  34  -4.358  -1.236  12.483
  233   1HG   PRO  34          2HG       PRO  34  -3.433  -2.821  14.799
  234   2HG   PRO  34          3HG       PRO  34  -3.007  -1.182  14.352
  235   1HD   PRO  34          2HD       PRO  34  -4.822  -1.978  16.425
  236   2HD   PRO  34          3HD       PRO  34  -4.484  -0.341  15.899
  237    H    ALA  35           HN       ALA  35  -5.874  -3.859  11.898
  238    HA   ALA  35           HA       ALA  35  -6.612  -6.037  13.295
  239   1HB   ALA  35          1HB       ALA  35  -8.758  -5.700  13.906
  240   2HB   ALA  35          2HB       ALA  35  -8.916  -4.274  12.851
  241   3HB   ALA  35          3HB       ALA  35  -9.167  -5.906  12.186
  242    H    LYS  36           HN       LYS  36  -7.435  -4.216  10.278
  243    HA   LYS  36           HA       LYS  36  -5.874  -5.830   8.656
  244   1HB   LYS  36          2HB       LYS  36  -7.227  -7.434   7.737
  245   2HB   LYS  36          3HB       LYS  36  -7.816  -7.438   9.387
  246   1HG   LYS  36          2HG       LYS  36  -9.887  -7.037   8.546
  247   2HG   LYS  36          3HG       LYS  36  -9.338  -5.416   8.168
  248   1HD   LYS  36          2HD       LYS  36  -9.932  -6.028   6.028
  249   2HD   LYS  36          3HD       LYS  36  -8.312  -6.695   6.007
  250   1HE   LYS  36          2HE       LYS  36  -9.232  -8.915   6.753
  251   2HE   LYS  36          3HE       LYS  36 -10.850  -8.241   6.726
  252   1HZ   LYS  36          1HZ       LYS  36  -9.266  -9.138   4.568
  253   2HZ   LYS  36          2HZ       LYS  36 -10.869  -8.831   4.615
  254   3HZ   LYS  36          3HZ       LYS  36  -9.815  -7.623   4.298
  255    H    ILE  37           HN       ILE  37  -6.773  -5.524   6.193
  256    HA   ILE  37           HA       ILE  37  -8.015  -2.889   6.017
  257    HB   ILE  37           HB       ILE  37  -5.334  -3.638   4.853
  258   1HG1  ILE  37          2HG       ILE  37  -6.260  -1.792   7.023
  259   2HG1  ILE  37          3HG       ILE  37  -4.889  -2.883   6.991
  260   1HG2  ILE  37          1HG       ILE  37  -5.340  -1.541   3.667
  261   2HG2  ILE  37          2HG       ILE  37  -6.771  -2.486   3.188
  262   3HG2  ILE  37          3HG       ILE  37  -6.942  -1.126   4.324
  263   1HD1  ILE  37          1HD       ILE  37  -3.738  -1.416   5.341
  264   2HD1  ILE  37          2HD       ILE  37  -5.133  -0.312   5.361
  265   3HD1  ILE  37          3HD       ILE  37  -4.147  -0.525   6.827
  266    H    ALA  38           HN       ALA  38  -8.914  -2.449   3.860
  267    HA   ALA  38           HA       ALA  38  -9.761  -4.949   2.636
  268   1HB   ALA  38          1HB       ALA  38 -10.708  -2.105   2.119
  269   2HB   ALA  38          2HB       ALA  38 -11.531  -3.620   1.673
  270   3HB   ALA  38          3HB       ALA  38 -11.382  -3.159   3.385
  271    H    ILE  39           HN       ILE  39  -7.666  -5.434   1.638
  272    HA   ILE  39           HA       ILE  39  -6.964  -3.590  -0.523
  273    HB   ILE  39           HB       ILE  39  -5.461  -5.683   1.012
  274   1HG1  ILE  39          2HG       ILE  39  -5.569  -3.316   1.814
  275   2HG1  ILE  39          3HG       ILE  39  -3.949  -3.909   1.506
  276   1HG2  ILE  39          1HG       ILE  39  -4.307  -6.312  -0.773
  277   2HG2  ILE  39          2HG       ILE  39  -5.198  -5.173  -1.809
  278   3HG2  ILE  39          3HG       ILE  39  -3.733  -4.637  -0.952
  279   1HD1  ILE  39          1HD       ILE  39  -4.960  -2.784  -0.952
  280   2HD1  ILE  39          2HD       ILE  39  -5.232  -1.616   0.363
  281   3HD1  ILE  39          3HD       ILE  39  -3.592  -2.226   0.039
  282    H    ASP  40           HN       ASP  40  -7.403  -4.092  -2.612
  283    HA   ASP  40           HA       ASP  40  -7.302  -6.615  -3.652
  284   1HB   ASP  40          2HB       ASP  40  -9.674  -6.263  -2.137
  285   2HB   ASP  40          3HB       ASP  40 -10.181  -6.061  -3.803
  286    H    LYS  41           HN       LYS  41  -8.299  -6.604  -5.969
  287    HA   LYS  41           HA       LYS  41  -7.572  -4.475  -7.413
  288   1HB   LYS  41          2HB       LYS  41  -9.762  -6.498  -7.881
  289   2HB   LYS  41          3HB       LYS  41  -9.370  -5.283  -9.079
  290   1HG   LYS  41          2HG       LYS  41  -7.154  -6.111  -9.384
  291   2HG   LYS  41          3HG       LYS  41  -7.166  -6.978  -7.862
  292   1HD   LYS  41          2HD       LYS  41  -8.253  -8.803  -8.749
  293   2HD   LYS  41          3HD       LYS  41  -9.303  -7.824  -9.754
  294   1HE   LYS  41          2HE       LYS  41  -6.375  -7.912 -10.474
  295   2HE   LYS  41          3HE       LYS  41  -7.332  -9.344 -10.801
  296   1HZ   LYS  41          1HZ       LYS  41  -8.305  -8.321 -12.479
  297   2HZ   LYS  41          2HZ       LYS  41  -8.674  -6.991 -11.605
  298   3HZ   LYS  41          3HZ       LYS  41  -7.216  -7.113 -12.330
  299    H    LYS  42           HN       LYS  42  -8.420  -2.508  -8.144
  300    HA   LYS  42           HA       LYS  42  -9.915  -0.841  -8.332
  301   1HB   LYS  42          2HB       LYS  42 -11.653  -2.858  -7.732
  302   2HB   LYS  42          3HB       LYS  42 -11.885  -1.810  -6.347
  303   1HG   LYS  42          2HG       LYS  42 -12.198   0.141  -7.939
  304   2HG   LYS  42          3HG       LYS  42 -12.095  -0.983  -9.280
  305   1HD   LYS  42          2HD       LYS  42 -14.175  -1.933  -8.839
  306   2HD   LYS  42          3HD       LYS  42 -14.055  -1.670  -7.111
  307   1HE   LYS  42          2HE       LYS  42 -15.623  -0.034  -7.610
  308   2HE   LYS  42          3HE       LYS  42 -14.167   0.915  -7.832
  309   1HZ   LYS  42          1HZ       LYS  42 -14.602   1.094  -9.973
  310   2HZ   LYS  42          2HZ       LYS  42 -14.835  -0.511 -10.175
  311   3HZ   LYS  42          3HZ       LYS  42 -16.074   0.441  -9.699
  312    H    SER  43           HN       SER  43 -10.018  -2.164  -4.943
  313    HA   SER  43           HA       SER  43  -9.768   0.412  -3.858
  314   1HB   SER  43          2HB       SER  43  -9.924  -2.383  -2.870
  315   2HB   SER  43          3HB       SER  43  -9.001  -1.314  -1.831
  316    HG   SER  43           HG       SER  43 -10.797  -0.296  -1.235
  317    H    ALA  44           HN       ALA  44  -7.509  -2.452  -3.780
  318    HA   ALA  44           HA       ALA  44  -5.322  -1.079  -2.799
  319   1HB   ALA  44          1HB       ALA  44  -5.463  -3.507  -2.847
  320   2HB   ALA  44          2HB       ALA  44  -5.514  -3.507  -4.626
  321   3HB   ALA  44          3HB       ALA  44  -4.035  -2.996  -3.778
  322    H    HIS  45           HN       HIS  45  -6.929  -0.772  -5.836
  323    HA   HIS  45           HA       HIS  45  -4.529   0.175  -7.162
  324   1HB   HIS  45          2HB       HIS  45  -7.279  -0.621  -8.012
  325   2HB   HIS  45          3HB       HIS  45  -6.437   0.560  -8.995
  326    HD1  HIS  45           HD1      HIS  45  -6.711  -1.634 -10.713
  327    HD2  HIS  45           HD2      HIS  45  -3.821  -1.844  -7.680
  328    HE1  HIS  45           HE1      HIS  45  -5.077  -3.467 -11.407
  329    H    LYS  46           HN       LYS  46  -7.695   1.313  -5.887
  330    HA   LYS  46           HA       LYS  46  -6.578   3.963  -5.675
  331   1HB   LYS  46          2HB       LYS  46  -9.165   3.666  -7.205
  332   2HB   LYS  46          3HB       LYS  46  -8.178   5.099  -6.998
  333   1HG   LYS  46          2HG       LYS  46  -6.337   4.019  -8.309
  334   2HG   LYS  46          3HG       LYS  46  -7.325   2.588  -8.518
  335   1HD   LYS  46          2HD       LYS  46  -9.104   4.338  -9.483
  336   2HD   LYS  46          3HD       LYS  46  -7.685   5.334  -9.731
  337   1HE   LYS  46          2HE       LYS  46  -6.770   2.952 -10.746
  338   2HE   LYS  46          3HE       LYS  46  -8.481   2.791 -11.093
  339   1HZ   LYS  46          1HZ       LYS  46  -6.577   4.637 -12.185
  340   2HZ   LYS  46          2HZ       LYS  46  -7.914   3.993 -12.866
  341   3HZ   LYS  46          3HZ       LYS  46  -8.044   5.278 -11.865
  342    H    ASP  47           HN       ASP  47  -8.062   5.402  -4.374
  343    HA   ASP  47           HA       ASP  47  -9.274   5.772  -2.616
  344   1HB   ASP  47          2HB       ASP  47 -10.974   4.398  -4.182
  345   2HB   ASP  47          3HB       ASP  47 -10.840   3.205  -2.905
  346    H    ALA  48           HN       ALA  48  -6.977   3.594  -2.773
  347    HA   ALA  48           HA       ALA  48  -7.202   2.829   0.008
  348   1HB   ALA  48          1HB       ALA  48  -6.425   0.579  -1.771
  349   2HB   ALA  48          2HB       ALA  48  -7.391   0.576  -0.275
  350   3HB   ALA  48          3HB       ALA  48  -8.145   1.036  -1.822
  351    H    CYS  49           HN       CYS  49  -5.389   2.693  -3.117
  352    HA   CYS  49           HA       CYS  49  -2.939   2.973  -1.538
  353   1HB   CYS  49          2HB       CYS  49  -3.546   1.605  -4.122
  354   2HB   CYS  49          3HB       CYS  49  -1.956   2.311  -3.911
  355    H    LYS  50           HN       LYS  50  -4.145   3.768  -4.887
  356    HA   LYS  50           HA       LYS  50  -2.541   6.042  -5.131
  357   1HB   LYS  50          2HB       LYS  50  -5.005   5.071  -6.590
  358   2HB   LYS  50          3HB       LYS  50  -4.186   6.557  -7.028
  359   1HG   LYS  50          2HG       LYS  50  -2.290   4.328  -6.676
  360   2HG   LYS  50          3HG       LYS  50  -3.506   3.962  -7.883
  361   1HD   LYS  50          2HD       LYS  50  -2.328   6.709  -8.038
  362   2HD   LYS  50          3HD       LYS  50  -1.225   5.396  -8.399
  363   1HE   LYS  50          2HE       LYS  50  -3.777   4.905  -9.716
  364   2HE   LYS  50          3HE       LYS  50  -3.218   6.517 -10.115
  365   1HZ   LYS  50          1HZ       LYS  50  -2.320   4.185 -11.179
  366   2HZ   LYS  50          2HZ       LYS  50  -1.644   5.660 -11.374
  367   3HZ   LYS  50          3HZ       LYS  50  -1.101   4.659 -10.202
  368    H    THR  51           HN       THR  51  -2.753   7.218  -3.138
  369    HA   THR  51           HA       THR  51  -4.672   9.269  -3.264
  370    HB   THR  51           HB       THR  51  -6.109   7.291  -2.481
  371    HG1  THR  51           HG1      THR  51  -7.006   9.176  -1.722
  372   1HG2  THR  51          1HG       THR  51  -4.215   6.399  -0.909
  373   2HG2  THR  51          2HG       THR  51  -4.674   7.737   0.172
  374   3HG2  THR  51          3HG       THR  51  -5.863   6.476  -0.238
  375    H    CYS  52           HN       CYS  52  -2.425   7.322  -1.247
  376    HA   CYS  52           HA       CYS  52  -1.641   9.807   0.065
  377   1HB   CYS  52          2HB       CYS  52  -2.123   8.208   1.691
  378   2HB   CYS  52          3HB       CYS  52  -1.373   6.906   0.790
  379    H    HIS  53           HN       HIS  53  -0.867   7.656  -2.501
  380    HA   HIS  53           HA       HIS  53   1.977   8.242  -2.335
  381   1HB   HIS  53          2HB       HIS  53   0.319   6.132  -3.522
  382   2HB   HIS  53          3HB       HIS  53   1.562   6.717  -4.609
  383    HD1  HIS  53           HD1      HIS  53   4.102   6.554  -3.701
  384    HD2  HIS  53           HD2      HIS  53   1.210   4.467  -1.492
  385    HE1  HIS  53           HE1      HIS  53   5.378   4.900  -2.235
  386    H    LYS  54           HN       LYS  54  -0.372  10.165  -3.012
  387    HA   LYS  54           HA       LYS  54   0.452  10.876  -5.726
  388   1HB   LYS  54          2HB       LYS  54  -1.897  11.829  -4.059
  389   2HB   LYS  54          3HB       LYS  54  -1.550  12.322  -5.704
  390   1HG   LYS  54          2HG       LYS  54  -1.784   9.995  -6.500
  391   2HG   LYS  54          3HG       LYS  54  -1.994   9.420  -4.857
  392   1HD   LYS  54          2HD       LYS  54  -4.229   9.636  -5.309
  393   2HD   LYS  54          3HD       LYS  54  -3.964  11.328  -4.940
  394   1HE   LYS  54          2HE       LYS  54  -3.188  11.134  -7.632
  395   2HE   LYS  54          3HE       LYS  54  -4.558  10.047  -7.535
  396   1HZ   LYS  54          1HZ       LYS  54  -5.875  11.788  -7.445
  397   2HZ   LYS  54          2HZ       LYS  54  -5.140  12.368  -6.108
  398   3HZ   LYS  54          3HZ       LYS  54  -4.602  12.799  -7.587
  399    H    SER  55           HN       SER  55   2.569  11.291  -4.208
  400    HA   SER  55           HA       SER  55   2.925  14.032  -4.348
  401   1HB   SER  55          2HB       SER  55   1.627  14.282  -2.338
  402   2HB   SER  55          3HB       SER  55   2.413  12.919  -1.566
  403    HG   SER  55           HG       SER  55   3.094  15.449  -1.300
  404    H    ASN  56           HN       ASN  56   3.893  11.158  -2.332
  405    HA   ASN  56           HA       ASN  56   6.548  11.787  -2.162
  406   1HB   ASN  56          2HB       ASN  56   6.870   9.493  -1.471
  407   2HB   ASN  56          3HB       ASN  56   5.248   9.913  -0.959
  408   1HD2  ASN  56          1HD       ASN  56   7.179   7.807  -2.742
  409   2HD2  ASN  56          2HD       ASN  56   5.956   6.893  -3.558
  410    H    ASN  57           HN       ASN  57   8.041   9.605  -3.203
  411    HA   ASN  57           HA       ASN  57   7.528   9.793  -6.064
  412   1HB   ASN  57          2HB       ASN  57   9.970   9.961  -6.454
  413   2HB   ASN  57          3HB       ASN  57   9.445  11.273  -5.416
  414   1HD2  ASN  57          1HD       ASN  57   9.907  11.248  -3.213
  415   2HD2  ASN  57          2HD       ASN  57  11.159  10.265  -2.528
  416    H    GLY  58           HN       GLY  58   7.507   7.746  -7.041
  417   1HA   GLY  58          1HA       GLY  58   9.193   5.634  -6.532
  418   2HA   GLY  58          2HA       GLY  58   7.851   5.417  -5.426
  419    HA   PRO  59           HA       PRO  59   5.887   3.563  -8.860
  420   1HB   PRO  59          2HB       PRO  59   3.585   2.789  -7.607
  421   2HB   PRO  59          3HB       PRO  59   5.063   1.849  -7.563
  422   1HG   PRO  59          2HG       PRO  59   3.868   3.523  -5.441
  423   2HG   PRO  59          3HG       PRO  59   5.079   2.265  -5.294
  424   1HD   PRO  59          2HD       PRO  59   5.527   5.096  -5.209
  425   2HD   PRO  59          3HD       PRO  59   6.749   3.840  -5.180
  426    H    THR  60           HN       THR  60   3.005   4.580  -7.233
  427    HA   THR  60           HA       THR  60   1.447   6.072  -7.774
  428    HB   THR  60           HB       THR  60   3.664   7.470  -9.359
  429    HG1  THR  60           HG1      THR  60   4.097   8.389  -7.266
  430   1HG2  THR  60          1HG       THR  60   1.110   8.245  -9.422
  431   2HG2  THR  60          2HG       THR  60   1.450   8.794  -7.763
  432   3HG2  THR  60          3HG       THR  60   2.389   9.447  -9.128
  433    H    LYS  61           HN       LYS  61   3.512   5.616 -10.726
  434    HA   LYS  61           HA       LYS  61   1.051   5.295 -12.245
  435   1HB   LYS  61          2HB       LYS  61   2.208   6.015 -14.054
  436   2HB   LYS  61          3HB       LYS  61   3.233   6.729 -12.825
  437   1HG   LYS  61          2HG       LYS  61   4.480   4.375 -12.908
  438   2HG   LYS  61          3HG       LYS  61   3.714   4.240 -14.479
  439   1HD   LYS  61          2HD       LYS  61   5.525   5.402 -15.247
  440   2HD   LYS  61          3HD       LYS  61   4.701   6.814 -14.613
  441   1HE   LYS  61          2HE       LYS  61   6.041   5.609 -12.389
  442   2HE   LYS  61          3HE       LYS  61   7.189   5.600 -13.713
  443   1HZ   LYS  61          1HZ       LYS  61   7.501   7.688 -13.029
  444   2HZ   LYS  61          2HZ       LYS  61   6.191   8.030 -13.943
  445   3HZ   LYS  61          3HZ       LYS  61   6.033   7.835 -12.330
  446    H    CYS  62           HN       CYS  62   1.039   3.479 -13.928
  447    HA   CYS  62           HA       CYS  62   1.022   1.070 -12.683
  448   1HB   CYS  62          2HB       CYS  62   0.174   1.893 -15.043
  449   2HB   CYS  62          3HB       CYS  62   1.671   1.177 -15.602
  450    H    GLY  63           HN       GLY  63   2.484  -0.909 -13.643
  451   1HA   GLY  63          1HA       GLY  63   4.485  -1.914 -13.362
  452   2HA   GLY  63          2HA       GLY  63   5.057  -0.677 -14.464
  453    H    GLY  64           HN       GLY  64   3.748  -0.078 -11.165
  454   1HA   GLY  64          1HA       GLY  64   6.422   0.925 -10.399
  455   2HA   GLY  64          2HA       GLY  64   4.896   1.585  -9.847
  456    H    CYS  65           HN       CYS  65   3.404   0.019  -8.608
  457    HA   CYS  65           HA       CYS  65   4.820  -1.008  -6.447
  458   1HB   CYS  65          2HB       CYS  65   2.028  -1.880  -7.136
  459   2HB   CYS  65          3HB       CYS  65   2.753  -1.649  -5.557
  460    H    HIS  66           HN       HIS  66   3.332  -2.508  -9.379
  461    HA   HIS  66           HA       HIS  66   3.922  -5.150  -8.581
  462   1HB   HIS  66          2HB       HIS  66   3.129  -3.867 -11.197
  463   2HB   HIS  66          3HB       HIS  66   3.489  -5.578 -11.084
  464    HD1  HIS  66           HD1      HIS  66   1.642  -7.102 -10.267
  465    HD2  HIS  66           HD2      HIS  66   0.850  -3.050  -9.520
  466    HE1  HIS  66           HE1      HIS  66  -0.759  -6.988  -9.411
  467    H    ILE  67           HN       ILE  67   5.996  -5.786  -8.208
  468    HA   ILE  67           HA       ILE  67   8.142  -4.606  -9.707
  469    HB   ILE  67           HB       ILE  67   8.133  -6.817  -7.648
  470   1HG1  ILE  67          2HG       ILE  67   7.263  -4.932  -6.549
  471   2HG1  ILE  67          3HG       ILE  67   8.968  -4.945  -6.146
  472   1HG2  ILE  67          1HG       ILE  67  10.391  -6.863  -7.701
  473   2HG2  ILE  67          2HG       ILE  67  10.136  -6.319  -9.376
  474   3HG2  ILE  67          3HG       ILE  67  10.533  -5.136  -8.107
  475   1HD1  ILE  67          1HD       ILE  67   7.452  -3.068  -7.941
  476   2HD1  ILE  67          2HD       ILE  67   8.734  -2.717  -6.758
  477   3HD1  ILE  67          3HD       ILE  67   9.152  -3.412  -8.343
  478    H    LYS  68           HN       LYS  68   7.392  -5.246 -11.872
  479    HA   LYS  68           HA       LYS  68   7.412  -8.078 -12.430
  480   1HB   LYS  68          2HB       LYS  68   6.186  -5.800 -13.551
  481   2HB   LYS  68          3HB       LYS  68   7.321  -6.361 -14.762
  482   1HG   LYS  68          2HG       LYS  68   5.952  -8.640 -13.555
  483   2HG   LYS  68          3HG       LYS  68   4.775  -7.475 -14.126
  484   1HD   LYS  68          2HD       LYS  68   5.591  -7.565 -16.375
  485   2HD   LYS  68          3HD       LYS  68   7.106  -8.302 -15.891
  486   1HE   LYS  68          2HE       LYS  68   6.129 -10.279 -16.481
  487   2HE   LYS  68          3HE       LYS  68   5.288 -10.165 -14.948
  488   1HZ   LYS  68          1HZ       LYS  68   3.473  -9.112 -16.033
  489   2HZ   LYS  68          2HZ       LYS  68   4.269  -9.022 -17.456
  490   3HZ   LYS  68          3HZ       LYS  68   3.821 -10.476 -16.861
  491    HHA  HEC  98           HGM      HEC  98  -3.746  -5.933   8.326
  492    HHB  HEC  98           HDM      HEC  98  -1.320  -3.418  13.499
  493    HHC  HEC  98           HAM      HEC  98   1.659   0.853   9.894
  494    HHD  HEC  98           HBM      HEC  98  -1.218  -1.505   4.896
  495   1HMA  HEC  98          1HM       HEC  98  -3.114  -6.885  13.406
  496   2HMA  HEC  98          2HM       HEC  98  -1.499  -6.212  13.733
  497   3HMA  HEC  98          3HM       HEC  98  -2.952  -5.248  14.086
  498   1HAA  HEC  98          1HA       HEC  98  -3.933  -7.690  11.589
  499   2HAA  HEC  98          2HA       HEC  98  -4.541  -7.058  10.041
  500   1HBA  HEC  98          3HB       HEC  98  -3.356  -8.861   9.160
  501   2HBA  HEC  98          4HB       HEC  98  -1.977  -7.746   9.300
  502   1HMB  HEC  98          1HM       HEC  98   0.529  -0.479  14.993
  503   2HMB  HEC  98          2HM       HEC  98  -1.139  -1.052  14.761
  504   3HMB  HEC  98          3HM       HEC  98   0.190  -2.224  14.924
  505    HAB  HEC  98           HT2      HEC  98   2.061   1.353  11.810
  506   1HBB  HEC  98          1HT       HEC  98   3.181  -0.781  13.368
  507   2HBB  HEC  98          2HT       HEC  98   3.918   0.437  12.300
  508   3HBB  HEC  98          3HT       HEC  98   3.527   0.852  13.987
  509   1HMC  HEC  98          1HM       HEC  98   2.690   1.786   8.393
  510   2HMC  HEC  98          2HM       HEC  98   2.554   2.091   6.645
  511   3HMC  HEC  98          3HM       HEC  98   1.439   2.891   7.777
  512    HAC  HEC  98           HT4      HEC  98   0.231   2.159   5.074
  513   1HBC  HEC  98          1HT       HEC  98  -1.902   0.420   5.207
  514   2HBC  HEC  98          2HT       HEC  98  -1.673   1.656   3.948
  515   3HBC  HEC  98          3HT       HEC  98  -1.170  -0.024   3.647
  516   1HMD  HEC  98          1HM       HEC  98  -1.857  -2.888   3.340
  517   2HMD  HEC  98          2HM       HEC  98  -3.088  -4.172   3.273
  518   3HMD  HEC  98          3HM       HEC  98  -3.571  -2.492   3.606
  519   1HAD  HEC  98          1HA       HEC  98  -3.974  -6.536   6.149
  520   2HAD  HEC  98          2HA       HEC  98  -4.657  -5.496   4.878
  521   1HBD  HEC  98          3HB       HEC  98  -2.154  -5.805   3.933
  522   2HBD  HEC  98          4HB       HEC  98  -2.354  -7.343   4.807
  523    HHA  HEC 128           HGM      HEC 128   8.120   3.696  -1.233
  524    HHB  HEC 128           HDM      HEC 128   3.697  -0.260  -3.169
  525    HHC  HEC 128           HAM      HEC 128  -0.331   2.409   0.926
  526    HHD  HEC 128           HBM      HEC 128   4.071   6.566   2.394
  527   1HMA  HEC 128          1HM       HEC 128   5.598  -0.698  -4.359
  528   2HMA  HEC 128          2HM       HEC 128   7.363  -0.489  -4.271
  529   3HMA  HEC 128          3HM       HEC 128   6.527  -1.504  -3.073
  530   1HAA  HEC 128          1HA       HEC 128   8.881   1.766  -3.558
  531   2HAA  HEC 128          2HA       HEC 128   9.186   2.158  -1.849
  532   1HBA  HEC 128          3HB       HEC 128  10.268   0.113  -1.777
  533   2HBA  HEC 128          4HB       HEC 128   8.629  -0.579  -1.724
  534   1HMB  HEC 128          1HM       HEC 128   1.035  -0.212  -4.141
  535   2HMB  HEC 128          2HM       HEC 128   1.819  -1.528  -3.235
  536   3HMB  HEC 128          3HM       HEC 128   0.074  -1.238  -3.050
  537    HAB  HEC 128           HT2      HEC 128  -1.503   1.202  -0.448
  538   1HBB  HEC 128          1HT       HEC 128  -0.271  -0.692   0.982
  539   2HBB  HEC 128          2HT       HEC 128  -1.995  -0.253   1.024
  540   3HBB  HEC 128          3HT       HEC 128  -1.450  -1.626   0.032
  541   1HMC  HEC 128          1HM       HEC 128  -1.170   3.281   2.582
  542   2HMC  HEC 128          2HM       HEC 128  -0.965   4.730   3.595
  543   3HMC  HEC 128          3HM       HEC 128  -1.558   4.887   1.924
  544    HAC  HEC 128           HT4      HEC 128   2.209   7.222   3.363
  545   1HBC  HEC 128          1HT       HEC 128   0.565   7.596   4.972
  546   2HBC  HEC 128          2HT       HEC 128  -0.711   6.818   4.006
  547   3HBC  HEC 128          3HT       HEC 128   0.513   5.823   4.829
  548   1HMD  HEC 128          1HM       HEC 128   7.539   7.808   2.150
  549   2HMD  HEC 128          2HM       HEC 128   5.878   8.331   1.782
  550   3HMD  HEC 128          3HM       HEC 128   6.197   7.328   3.215
  551   1HAD  HEC 128          1HA       HEC 128   9.262   5.217  -0.012
  552   2HAD  HEC 128          2HA       HEC 128   8.897   6.884   0.495
  553   1HBD  HEC 128          3HB       HEC 128   9.459   6.488   2.624
  554   2HBD  HEC 128          4HB       HEC 128   8.716   4.871   2.634
  555    HHA  HEC 158           HGM      HEC 158  -3.236  -7.636  -7.037
  556    HHB  HEC 158           HDM      HEC 158  -2.745  -6.179 -13.087
  557    HHC  HEC 158           HAM      HEC 158  -1.164  -0.275 -11.425
  558    HHD  HEC 158           HBM      HEC 158  -1.256  -2.038  -5.450
  559   1HMA  HEC 158          1HM       HEC 158  -3.345  -9.320 -12.265
  560   2HMA  HEC 158          2HM       HEC 158  -5.042  -8.892 -11.943
  561   3HMA  HEC 158          3HM       HEC 158  -4.061  -7.882 -13.030
  562   1HAA  HEC 158          1HA       HEC 158  -4.356  -8.966  -7.857
  563   2HAA  HEC 158          2HA       HEC 158  -5.385  -9.302  -9.270
  564   1HBA  HEC 158          3HB       HEC 158  -2.788 -10.071 -10.110
  565   2HBA  HEC 158          4HB       HEC 158  -2.883 -10.640  -8.427
  566   1HMB  HEC 158          1HM       HEC 158  -0.736  -4.619 -15.065
  567   2HMB  HEC 158          2HM       HEC 158  -2.366  -5.296 -14.845
  568   3HMB  HEC 158          3HM       HEC 158  -2.159  -3.712 -15.628
  569    HAB  HEC 158           HT2      HEC 158  -0.385  -0.776 -13.775
  570   1HBB  HEC 158          1HT       HEC 158  -2.450   0.532 -14.781
  571   2HBB  HEC 158          2HT       HEC 158  -3.204  -0.282 -13.391
  572   3HBB  HEC 158          3HT       HEC 158  -1.764   0.736 -13.153
  573   1HMC  HEC 158          1HM       HEC 158  -0.127   1.266 -10.602
  574   2HMC  HEC 158          2HM       HEC 158  -1.359   2.049  -9.585
  575   3HMC  HEC 158          3HM       HEC 158   0.317   1.907  -9.003
  576    HAC  HEC 158           HT4      HEC 158  -0.435   0.009  -5.514
  577   1HBC  HEC 158          1HT       HEC 158  -1.309   2.154  -6.814
  578   2HBC  HEC 158          2HT       HEC 158  -0.250   2.319  -5.394
  579   3HBC  HEC 158          3HT       HEC 158   0.430   2.463  -7.032
  580   1HMD  HEC 158          1HM       HEC 158  -0.777  -4.314  -3.197
  581   2HMD  HEC 158          2HM       HEC 158  -1.486  -2.742  -3.635
  582   3HMD  HEC 158          3HM       HEC 158  -2.510  -4.014  -2.929
  583   1HAD  HEC 158          1HA       HEC 158  -3.263  -6.036  -3.333
  584   2HAD  HEC 158          2HA       HEC 158  -4.093  -6.930  -4.628
  585   1HBD  HEC 158          3HB       HEC 158  -1.410  -7.692  -4.815
  586   2HBD  HEC 158          4HB       HEC 158  -1.777  -7.657  -3.073
  Start of MODEL   21
    1    H    ALA   1           HN       ALA   1   2.936  -5.435  12.095
    2    HA   ALA   1           HA       ALA   1   4.360  -7.908  11.652
    3   1HB   ALA   1          1HB       ALA   1   2.993  -5.960   9.751
    4   2HB   ALA   1          2HB       ALA   1   3.607  -7.575   9.322
    5   3HB   ALA   1          3HB       ALA   1   2.254  -7.413  10.467
    6    H    ASP   2           HN       ASP   2   5.511  -7.306   9.100
    7    HA   ASP   2           HA       ASP   2   7.446  -5.252   9.784
    8   1HB   ASP   2          2HB       ASP   2   7.905  -8.161   9.382
    9   2HB   ASP   2          3HB       ASP   2   8.960  -7.149   8.418
   10    H    VAL   3           HN       VAL   3   6.199  -7.639   7.342
   11    HA   VAL   3           HA       VAL   3   5.701  -5.684   5.409
   12    HB   VAL   3           HB       VAL   3   8.160  -5.579   5.334
   13   1HG1  VAL   3          1HG       VAL   3   8.102  -8.300   5.715
   14   2HG1  VAL   3          2HG       VAL   3   8.490  -8.175   3.983
   15   3HG1  VAL   3          3HG       VAL   3   9.522  -7.365   5.187
   16   1HG2  VAL   3          1HG       VAL   3   8.149  -6.506   2.746
   17   2HG2  VAL   3          2HG       VAL   3   6.415  -6.258   3.061
   18   3HG2  VAL   3          3HG       VAL   3   7.559  -4.910   3.271
   19    H    VAL   4           HN       VAL   4   3.899  -6.569   4.552
   20    HA   VAL   4           HA       VAL   4   3.595  -9.433   4.586
   21    HB   VAL   4           HB       VAL   4   1.788  -7.214   3.604
   22   1HG1  VAL   4          1HG       VAL   4   1.073  -9.214   2.549
   23   2HG1  VAL   4          2HG       VAL   4   1.334 -10.179   4.022
   24   3HG1  VAL   4          3HG       VAL   4   0.003  -8.999   3.955
   25   1HG2  VAL   4          1HG       VAL   4   1.879  -6.771   5.857
   26   2HG2  VAL   4          2HG       VAL   4   0.584  -7.991   5.837
   27   3HG2  VAL   4          3HG       VAL   4   2.241  -8.458   6.291
   28    H    THR   5           HN       THR   5   3.803 -10.820   2.870
   29    HA   THR   5           HA       THR   5   4.621  -9.576   0.333
   30    HB   THR   5           HB       THR   5   5.099 -12.431   1.320
   31    HG1  THR   5           HG1      THR   5   6.684  -9.962   1.450
   32   1HG2  THR   5          1HG       THR   5   5.630 -11.141  -1.154
   33   2HG2  THR   5          2HG       THR   5   7.174 -11.103  -0.270
   34   3HG2  THR   5          3HG       THR   5   6.361 -12.657  -0.574
   35    H    TYR   6           HN       TYR   6   3.624 -10.056  -1.594
   36    HA   TYR   6           HA       TYR   6   1.326 -11.875  -1.399
   37   1HB   TYR   6          2HB       TYR   6   1.648  -8.973  -2.183
   38   2HB   TYR   6          3HB       TYR   6   0.618  -9.914  -3.243
   39    HD1  TYR   6           HD1      TYR   6  -1.635  -9.631  -2.815
   40    HD2  TYR   6           HD2      TYR   6   1.091  -9.668   0.482
   41    HE1  TYR   6           HE1      TYR   6  -3.573  -9.321  -1.199
   42    HE2  TYR   6           HE2      TYR   6  -0.856  -9.357   2.087
   43    HH   TYR   6           HH       TYR   6  -3.223  -9.779   2.144
   44    H    GLU   7           HN       GLU   7   2.171 -13.594  -2.566
   45    HA   GLU   7           HA       GLU   7   3.766 -13.139  -4.843
   46   1HB   GLU   7          2HB       GLU   7   2.735 -15.456  -3.314
   47   2HB   GLU   7          3HB       GLU   7   2.895 -15.773  -5.030
   48   1HG   GLU   7          2HG       GLU   7   5.273 -14.626  -4.747
   49   2HG   GLU   7          3HG       GLU   7   5.045 -14.981  -3.047
   50    H    ASN   8           HN       ASN   8   3.223 -13.145  -7.037
   51    HA   ASN   8           HA       ASN   8   0.537 -13.885  -7.739
   52   1HB   ASN   8          2HB       ASN   8   1.653 -11.064  -7.961
   53   2HB   ASN   8          3HB       ASN   8   0.479 -11.620  -9.137
   54   1HD2  ASN   8          1HD       ASN   8   0.968 -10.253  -6.124
   55   2HD2  ASN   8          2HD       ASN   8  -0.626 -10.387  -5.457
   56    H    LYS   9           HN       LYS   9   0.371 -13.459 -10.343
   57    HA   LYS   9           HA       LYS   9   2.771 -14.656 -11.429
   58   1HB   LYS   9          2HB       LYS   9   0.027 -14.964 -11.880
   59   2HB   LYS   9          3HB       LYS   9   0.609 -14.142 -13.314
   60   1HG   LYS   9          2HG       LYS   9   2.009 -16.591 -12.156
   61   2HG   LYS   9          3HG       LYS   9   0.723 -16.719 -13.340
   62   1HD   LYS   9          2HD       LYS   9   2.037 -15.297 -14.924
   63   2HD   LYS   9          3HD       LYS   9   3.319 -15.155 -13.739
   64   1HE   LYS   9          2HE       LYS   9   3.686 -17.608 -13.793
   65   2HE   LYS   9          3HE       LYS   9   2.343 -17.809 -14.900
   66   1HZ   LYS   9          1HZ       LYS   9   4.816 -17.503 -15.700
   67   2HZ   LYS   9          2HZ       LYS   9   3.544 -17.014 -16.600
   68   3HZ   LYS   9          3HZ       LYS   9   4.375 -15.931 -15.704
   69    H    LYS  10           HN       LYS  10   0.551 -12.008 -12.566
   70    HA   LYS  10           HA       LYS  10   2.264 -10.865 -14.334
   71   1HB   LYS  10          2HB       LYS  10  -0.019  -9.863 -12.682
   72   2HB   LYS  10          3HB       LYS  10   0.954  -8.684 -13.538
   73   1HG   LYS  10          2HG       LYS  10   0.273 -11.042 -15.196
   74   2HG   LYS  10          3HG       LYS  10  -1.139 -10.170 -14.636
   75   1HD   LYS  10          2HD       LYS  10  -0.780  -8.554 -16.181
   76   2HD   LYS  10          3HD       LYS  10   0.785  -8.205 -15.475
   77   1HE   LYS  10          2HE       LYS  10   1.843  -9.975 -16.848
   78   2HE   LYS  10          3HE       LYS  10   0.283 -10.443 -17.496
   79   1HZ   LYS  10          1HZ       LYS  10   0.206  -7.955 -18.153
   80   2HZ   LYS  10          2HZ       LYS  10   1.832  -8.051 -18.041
   81   3HZ   LYS  10          3HZ       LYS  10   1.026  -9.022 -19.077
   82    H    GLY  11           HN       GLY  11   1.860  -9.877 -10.856
   83   1HA   GLY  11          1HA       GLY  11   4.674  -9.528 -10.523
   84   2HA   GLY  11          2HA       GLY  11   3.858  -7.993 -10.742
   85    H    ASN  12           HN       ASN  12   5.207  -9.129  -8.313
   86    HA   ASN  12           HA       ASN  12   2.970  -9.616  -6.566
   87   1HB   ASN  12          2HB       ASN  12   5.949  -9.413  -5.885
   88   2HB   ASN  12          3HB       ASN  12   4.698 -10.090  -4.861
   89   1HD2  ASN  12          1HD       ASN  12   6.871 -11.567  -5.414
   90   2HD2  ASN  12          2HD       ASN  12   6.506 -12.884  -6.478
   91    H    VAL  13           HN       VAL  13   2.633  -8.235  -4.614
   92    HA   VAL  13           HA       VAL  13   3.906  -5.600  -4.821
   93    HB   VAL  13           HB       VAL  13   1.811  -5.231  -5.780
   94   1HG1  VAL  13          1HG       VAL  13   0.864  -7.469  -5.147
   95   2HG1  VAL  13          2HG       VAL  13   0.464  -6.788  -3.551
   96   3HG1  VAL  13          3HG       VAL  13  -0.290  -6.119  -5.018
   97   1HG2  VAL  13          1HG       VAL  13   0.694  -4.507  -3.201
   98   2HG2  VAL  13          2HG       VAL  13   2.429  -4.118  -3.280
   99   3HG2  VAL  13          3HG       VAL  13   1.314  -3.466  -4.505
  100    H    THR  14           HN       THR  14   5.374  -6.532  -3.183
  101    HA   THR  14           HA       THR  14   4.325  -7.425  -0.698
  102    HB   THR  14           HB       THR  14   7.111  -6.363  -1.397
  103    HG1  THR  14           HG1      THR  14   5.723  -8.937  -1.658
  104   1HG2  THR  14          1HG       THR  14   7.567  -8.473   0.179
  105   2HG2  THR  14          2HG       THR  14   7.210  -6.886   0.903
  106   3HG2  THR  14          3HG       THR  14   5.928  -8.115   0.776
  107    H    PHE  15           HN       PHE  15   3.277  -6.252   0.768
  108    HA   PHE  15           HA       PHE  15   3.247  -3.448   0.669
  109   1HB   PHE  15          2HB       PHE  15   2.535  -5.544   2.807
  110   2HB   PHE  15          3HB       PHE  15   2.096  -3.853   2.957
  111    HD1  PHE  15           HD1      PHE  15   1.492  -6.943   1.052
  112    HD2  PHE  15           HD2      PHE  15   0.259  -2.938   1.722
  113    HE1  PHE  15           HE1      PHE  15  -0.623  -7.379  -0.229
  114    HE2  PHE  15           HE2      PHE  15  -1.855  -3.374   0.441
  115    HZ   PHE  15           HZ       PHE  15  -2.271  -5.589  -0.520
  116    H    ASP  16           HN       ASP  16   3.463  -2.513   3.269
  117    HA   ASP  16           HA       ASP  16   6.062  -3.300   4.215
  118   1HB   ASP  16          2HB       ASP  16   5.757  -0.351   4.007
  119   2HB   ASP  16          3HB       ASP  16   7.179  -1.342   3.749
  120    H    HIS  17           HN       HIS  17   5.580  -3.606   6.397
  121    HA   HIS  17           HA       HIS  17   3.563  -1.868   7.578
  122   1HB   HIS  17          2HB       HIS  17   3.972  -4.610   7.695
  123   2HB   HIS  17          3HB       HIS  17   4.607  -4.051   9.229
  124    HD1  HIS  17           HD1      HIS  17   2.912  -3.867  11.049
  125    HD2  HIS  17           HD2      HIS  17   1.188  -3.458   7.247
  126    HE1  HIS  17           HE1      HIS  17   0.396  -3.653  11.423
  127    H    LYS  18           HN       LYS  18   6.825  -3.277   8.355
  128    HA   LYS  18           HA       LYS  18   7.223  -1.119  10.259
  129   1HB   LYS  18          2HB       LYS  18   7.732  -3.512  10.819
  130   2HB   LYS  18          3HB       LYS  18   9.009  -3.483   9.620
  131   1HG   LYS  18          2HG       LYS  18  10.388  -2.642  11.212
  132   2HG   LYS  18          3HG       LYS  18   9.461  -1.156  11.153
  133   1HD   LYS  18          2HD       LYS  18   8.260  -3.362  12.780
  134   2HD   LYS  18          3HD       LYS  18   9.746  -2.682  13.411
  135   1HE   LYS  18          2HE       LYS  18   8.507  -0.356  12.846
  136   2HE   LYS  18          3HE       LYS  18   7.072  -1.349  13.001
  137   1HZ   LYS  18          1HZ       LYS  18   8.669  -0.336  15.025
  138   2HZ   LYS  18          2HZ       LYS  18   7.311  -1.232  15.168
  139   3HZ   LYS  18          3HZ       LYS  18   8.768  -1.965  15.102
  140    H    ALA  19           HN       ALA  19   7.828  -1.905   6.943
  141    HA   ALA  19           HA       ALA  19  10.242  -0.373   6.727
  142   1HB   ALA  19          1HB       ALA  19   9.082  -0.702   4.185
  143   2HB   ALA  19          2HB       ALA  19  10.331  -1.728   4.932
  144   3HB   ALA  19          3HB       ALA  19   8.611  -2.156   5.096
  145    H    HIS  20           HN       HIS  20   6.783   0.217   6.750
  146    HA   HIS  20           HA       HIS  20   7.222   2.848   5.564
  147   1HB   HIS  20          2HB       HIS  20   4.877   1.017   5.818
  148   2HB   HIS  20          3HB       HIS  20   4.561   2.741   5.838
  149    HD1  HIS  20           HD1      HIS  20   7.388   1.430   3.720
  150    HD2  HIS  20           HD2      HIS  20   3.393   2.625   3.261
  151    HE1  HIS  20           HE1      HIS  20   6.991   1.645   1.209
  152    H    ALA  21           HN       ALA  21   5.666   1.207   8.404
  153    HA   ALA  21           HA       ALA  21   4.903   3.401   9.816
  154   1HB   ALA  21          1HB       ALA  21   6.070   0.745  10.726
  155   2HB   ALA  21          2HB       ALA  21   5.323   1.920  11.835
  156   3HB   ALA  21          3HB       ALA  21   4.353   1.176  10.542
  157    H    GLU  22           HN       GLU  22   8.187   1.953   9.520
  158    HA   GLU  22           HA       GLU  22   9.558   3.130  11.430
  159   1HB   GLU  22          2HB       GLU  22  11.504   3.142   9.944
  160   2HB   GLU  22          3HB       GLU  22  10.525   1.726   9.615
  161   1HG   GLU  22          2HG       GLU  22   9.618   2.677   7.602
  162   2HG   GLU  22          3HG       GLU  22  10.148   4.293   8.027
  163    H    LYS  23           HN       LYS  23   8.013   4.787   8.697
  164    HA   LYS  23           HA       LYS  23   8.906   7.325   9.869
  165   1HB   LYS  23          2HB       LYS  23   8.796   6.556   6.943
  166   2HB   LYS  23          3HB       LYS  23   8.851   8.220   7.488
  167   1HG   LYS  23          2HG       LYS  23  10.895   6.184   8.457
  168   2HG   LYS  23          3HG       LYS  23  11.111   7.026   6.936
  169   1HD   LYS  23          2HD       LYS  23  10.466   9.117   8.654
  170   2HD   LYS  23          3HD       LYS  23  11.367   8.049   9.712
  171   1HE   LYS  23          2HE       LYS  23  13.156   9.209   8.808
  172   2HE   LYS  23          3HE       LYS  23  13.038   7.947   7.598
  173   1HZ   LYS  23          1HZ       LYS  23  12.154  10.710   7.430
  174   2HZ   LYS  23          2HZ       LYS  23  12.993   9.825   6.343
  175   3HZ   LYS  23          3HZ       LYS  23  11.387   9.587   6.526
  176    H    LEU  24           HN       LEU  24   6.473   5.595   7.820
  177    HA   LEU  24           HA       LEU  24   4.560   7.618   7.895
  178   1HB   LEU  24          2HB       LEU  24   4.648   4.727   7.254
  179   2HB   LEU  24          3HB       LEU  24   3.071   5.388   7.636
  180    HG   LEU  24           HG       LEU  24   4.541   7.064   5.742
  181   1HD1  LEU  24          1HD       LEU  24   5.246   4.538   5.316
  182   2HD1  LEU  24          2HD       LEU  24   3.665   4.499   4.497
  183   3HD1  LEU  24          3HD       LEU  24   4.907   5.666   3.982
  184   1HD2  LEU  24          1HD       LEU  24   2.460   7.591   5.179
  185   2HD2  LEU  24          2HD       LEU  24   2.091   5.903   4.753
  186   3HD2  LEU  24          3HD       LEU  24   1.884   6.463   6.430
  187    H    GLY  25           HN       GLY  25   3.462   4.600   9.337
  188   1HA   GLY  25          1HA       GLY  25   3.614   4.630  11.922
  189   2HA   GLY  25          2HA       GLY  25   2.689   6.108  11.738
  190    H    CYS  26           HN       CYS  26   1.455   4.186  13.183
  191    HA   CYS  26           HA       CYS  26  -0.080   2.466  11.488
  192   1HB   CYS  26          2HB       CYS  26  -0.922   2.903  14.292
  193   2HB   CYS  26          3HB       CYS  26  -0.756   1.418  13.376
  194    H    ASP  27           HN       ASP  27  -0.282   5.677  12.979
  195    HA   ASP  27           HA       ASP  27  -3.106   5.840  12.599
  196   1HB   ASP  27          2HB       ASP  27  -2.908   8.050  13.544
  197   2HB   ASP  27          3HB       ASP  27  -1.816   7.018  14.446
  198    H    ALA  28           HN       ALA  28  -0.430   5.899  10.571
  199    HA   ALA  28           HA       ALA  28  -1.353   8.097   8.903
  200   1HB   ALA  28          1HB       ALA  28   0.736   7.781   7.721
  201   2HB   ALA  28          2HB       ALA  28   1.079   7.749   9.468
  202   3HB   ALA  28          3HB       ALA  28   1.021   6.229   8.545
  203    H    CYS  29           HN       CYS  29  -1.792   4.702   9.347
  204    HA   CYS  29           HA       CYS  29  -2.927   4.560   6.652
  205   1HB   CYS  29          2HB       CYS  29  -1.267   2.500   8.095
  206   2HB   CYS  29          3HB       CYS  29  -2.370   2.061   6.806
  207    H    HIS  30           HN       HIS  30  -2.835   3.242  10.033
  208    HA   HIS  30           HA       HIS  30  -5.672   2.595   9.729
  209   1HB   HIS  30          2HB       HIS  30  -3.743   1.561  11.821
  210   2HB   HIS  30          3HB       HIS  30  -5.382   1.014  11.533
  211    HD1  HIS  30           HD1      HIS  30  -5.805  -0.528   9.456
  212    HD2  HIS  30           HD2      HIS  30  -1.796   0.565  10.029
  213    HE1  HIS  30           HE1      HIS  30  -4.425  -2.062   7.955
  214    H    GLU  31           HN       GLU  31  -6.264   2.463  12.535
  215    HA   GLU  31           HA       GLU  31  -5.484   4.480  14.095
  216   1HB   GLU  31          2HB       GLU  31  -6.838   5.592  11.803
  217   2HB   GLU  31          3HB       GLU  31  -7.841   5.870  13.212
  218   1HG   GLU  31          2HG       GLU  31  -6.144   7.099  14.343
  219   2HG   GLU  31          3HG       GLU  31  -4.864   6.433  13.348
  220    H    GLY  32           HN       GLY  32  -6.711   4.512  16.040
  221   1HA   GLY  32          1HA       GLY  32  -8.331   3.918  17.494
  222   2HA   GLY  32          2HA       GLY  32  -9.408   3.597  16.149
  223    H    THR  33           HN       THR  33  -8.525   1.549  14.732
  224    HA   THR  33           HA       THR  33  -7.434  -0.513  16.451
  225    HB   THR  33           HB       THR  33 -10.327  -0.364  15.533
  226    HG1  THR  33           HG1      THR  33  -9.463   0.133  17.753
  227   1HG2  THR  33          1HG       THR  33 -10.216  -2.567  14.877
  228   2HG2  THR  33          2HG       THR  33  -8.565  -2.753  15.517
  229   3HG2  THR  33          3HG       THR  33  -9.964  -2.918  16.604
  230    HA   PRO  34           HA       PRO  34  -5.835  -1.190  12.450
  231   1HB   PRO  34          2HB       PRO  34  -3.691  -2.696  13.225
  232   2HB   PRO  34          3HB       PRO  34  -3.655  -0.945  13.147
  233   1HG   PRO  34          2HG       PRO  34  -3.822  -2.690  15.527
  234   2HG   PRO  34          3HG       PRO  34  -3.362  -1.002  15.434
  235   1HD   PRO  34          2HD       PRO  34  -5.877  -2.049  16.332
  236   2HD   PRO  34          3HD       PRO  34  -5.458  -0.360  16.128
  237    H    ALA  35           HN       ALA  35  -6.962  -2.431  11.100
  238    HA   ALA  35           HA       ALA  35  -6.928  -5.278  11.781
  239   1HB   ALA  35          1HB       ALA  35  -9.081  -4.704  12.538
  240   2HB   ALA  35          2HB       ALA  35  -9.320  -3.507  11.243
  241   3HB   ALA  35          3HB       ALA  35  -9.368  -5.246  10.867
  242    H    LYS  36           HN       LYS  36  -7.425  -6.654   9.834
  243    HA   LYS  36           HA       LYS  36  -5.793  -6.076   7.744
  244   1HB   LYS  36          2HB       LYS  36  -6.984  -7.851   6.531
  245   2HB   LYS  36          3HB       LYS  36  -6.649  -8.298   8.192
  246   1HG   LYS  36          2HG       LYS  36  -8.861  -8.516   8.673
  247   2HG   LYS  36          3HG       LYS  36  -9.230  -6.933   8.016
  248   1HD   LYS  36          2HD       LYS  36  -8.671  -8.519   5.742
  249   2HD   LYS  36          3HD       LYS  36  -9.584  -9.581   6.794
  250   1HE   LYS  36          2HE       LYS  36 -10.713  -6.849   6.681
  251   2HE   LYS  36          3HE       LYS  36 -10.665  -7.624   5.110
  252   1HZ   LYS  36          1HZ       LYS  36 -12.677  -8.124   6.337
  253   2HZ   LYS  36          2HZ       LYS  36 -11.830  -9.487   6.031
  254   3HZ   LYS  36          3HZ       LYS  36 -11.816  -8.834   7.529
  255    H    ILE  37           HN       ILE  37  -5.797  -4.166   6.646
  256    HA   ILE  37           HA       ILE  37  -8.104  -2.673   6.152
  257    HB   ILE  37           HB       ILE  37  -5.303  -2.465   5.761
  258   1HG1  ILE  37          2HG       ILE  37  -7.650  -0.573   5.716
  259   2HG1  ILE  37          3HG       ILE  37  -6.451  -0.807   6.972
  260   1HG2  ILE  37          1HG       ILE  37  -5.864  -3.062   3.379
  261   2HG2  ILE  37          2HG       ILE  37  -6.816  -1.561   3.303
  262   3HG2  ILE  37          3HG       ILE  37  -5.064  -1.489   3.607
  263   1HD1  ILE  37          1HD       ILE  37  -4.685   0.115   5.460
  264   2HD1  ILE  37          2HD       ILE  37  -5.922   0.382   4.209
  265   3HD1  ILE  37          3HD       ILE  37  -5.999   1.282   5.744
  266    H    ALA  38           HN       ALA  38  -8.703  -2.029   3.750
  267    HA   ALA  38           HA       ALA  38  -9.925  -4.269   2.629
  268   1HB   ALA  38          1HB       ALA  38 -10.820  -2.041   2.339
  269   2HB   ALA  38          2HB       ALA  38  -9.326  -1.490   1.544
  270   3HB   ALA  38          3HB       ALA  38 -10.383  -2.669   0.731
  271    H    ILE  39           HN       ILE  39  -8.540  -2.646  -0.004
  272    HA   ILE  39           HA       ILE  39  -7.053  -3.197  -1.540
  273    HB   ILE  39           HB       ILE  39  -5.599  -4.494   0.766
  274   1HG1  ILE  39          2HG       ILE  39  -6.150  -1.953   0.758
  275   2HG1  ILE  39          3HG       ILE  39  -4.527  -2.488   1.147
  276   1HG2  ILE  39          1HG       ILE  39  -4.561  -5.495  -1.022
  277   2HG2  ILE  39          2HG       ILE  39  -4.876  -4.128  -2.118
  278   3HG2  ILE  39          3HG       ILE  39  -3.610  -3.998  -0.875
  279   1HD1  ILE  39          1HD       ILE  39  -4.520  -0.589  -0.470
  280   2HD1  ILE  39          2HD       ILE  39  -3.788  -2.051  -1.173
  281   3HD1  ILE  39          3HD       ILE  39  -5.445  -1.581  -1.622
  282    H    ASP  40           HN       ASP  40  -8.102  -4.470  -2.997
  283    HA   ASP  40           HA       ASP  40  -7.477  -7.060  -3.310
  284   1HB   ASP  40          2HB       ASP  40 -10.038  -7.852  -2.668
  285   2HB   ASP  40          3HB       ASP  40  -8.631  -8.143  -1.666
  286    H    LYS  41           HN       LYS  41  -7.822  -7.032  -5.536
  287    HA   LYS  41           HA       LYS  41  -8.811  -6.798  -7.496
  288   1HB   LYS  41          2HB       LYS  41 -11.490  -6.424  -6.159
  289   2HB   LYS  41          3HB       LYS  41 -11.134  -7.128  -7.724
  290   1HG   LYS  41          2HG       LYS  41  -9.633  -8.723  -5.983
  291   2HG   LYS  41          3HG       LYS  41 -11.070  -8.379  -5.042
  292   1HD   LYS  41          2HD       LYS  41 -12.055  -8.950  -7.631
  293   2HD   LYS  41          3HD       LYS  41 -10.764 -10.111  -7.395
  294   1HE   LYS  41          2HE       LYS  41 -12.272 -11.343  -6.214
  295   2HE   LYS  41          3HE       LYS  41 -12.067 -10.172  -4.927
  296   1HZ   LYS  41          1HZ       LYS  41 -14.181 -10.327  -6.916
  297   2HZ   LYS  41          2HZ       LYS  41 -14.296 -10.106  -5.302
  298   3HZ   LYS  41          3HZ       LYS  41 -13.819  -8.875  -6.263
  299    H    LYS  42           HN       LYS  42 -11.440  -4.992  -7.568
  300    HA   LYS  42           HA       LYS  42 -10.039  -2.656  -8.313
  301   1HB   LYS  42          2HB       LYS  42 -12.981  -3.296  -7.999
  302   2HB   LYS  42          3HB       LYS  42 -12.395  -1.744  -8.560
  303   1HG   LYS  42          2HG       LYS  42 -10.978  -3.201 -10.270
  304   2HG   LYS  42          3HG       LYS  42 -12.147  -4.452  -9.895
  305   1HD   LYS  42          2HD       LYS  42 -13.180  -3.402 -11.716
  306   2HD   LYS  42          3HD       LYS  42 -13.946  -2.577 -10.373
  307   1HE   LYS  42          2HE       LYS  42 -11.876  -0.899 -10.628
  308   2HE   LYS  42          3HE       LYS  42 -11.804  -1.560 -12.250
  309   1HZ   LYS  42          1HZ       LYS  42 -13.902  -0.777 -12.720
  310   2HZ   LYS  42          2HZ       LYS  42 -14.341  -0.614 -11.155
  311   3HZ   LYS  42          3HZ       LYS  42 -13.281   0.436 -11.820
  312    H    SER  43           HN       SER  43  -8.824  -2.526  -6.167
  313    HA   SER  43           HA       SER  43 -10.213  -0.579  -4.587
  314   1HB   SER  43          2HB       SER  43  -9.872  -3.325  -3.683
  315   2HB   SER  43          3HB       SER  43  -8.960  -2.246  -2.647
  316    HG   SER  43           HG       SER  43 -11.036  -2.335  -1.784
  317    H    ALA  44           HN       ALA  44  -7.274  -2.737  -4.536
  318    HA   ALA  44           HA       ALA  44  -5.569  -0.819  -3.458
  319   1HB   ALA  44          1HB       ALA  44  -4.336  -2.693  -3.377
  320   2HB   ALA  44          2HB       ALA  44  -5.464  -3.512  -4.484
  321   3HB   ALA  44          3HB       ALA  44  -4.092  -2.585  -5.137
  322    H    HIS  45           HN       HIS  45  -7.084  -1.006  -6.551
  323    HA   HIS  45           HA       HIS  45  -4.978   0.576  -7.787
  324   1HB   HIS  45          2HB       HIS  45  -7.343  -0.969  -8.819
  325   2HB   HIS  45          3HB       HIS  45  -6.622   0.288  -9.804
  326    HD1  HIS  45           HD1      HIS  45  -6.013  -1.757 -11.457
  327    HD2  HIS  45           HD2      HIS  45  -3.984  -1.682  -7.786
  328    HE1  HIS  45           HE1      HIS  45  -4.016  -3.323 -11.713
  329    H    LYS  46           HN       LYS  46  -7.543   1.088  -5.755
  330    HA   LYS  46           HA       LYS  46  -8.312   3.573  -7.114
  331   1HB   LYS  46          2HB       LYS  46  -9.888   1.534  -6.017
  332   2HB   LYS  46          3HB       LYS  46  -9.956   2.821  -4.831
  333   1HG   LYS  46          2HG       LYS  46 -11.512   3.810  -6.159
  334   2HG   LYS  46          3HG       LYS  46 -10.201   4.203  -7.253
  335   1HD   LYS  46          2HD       LYS  46 -10.576   2.199  -8.572
  336   2HD   LYS  46          3HD       LYS  46 -11.661   1.529  -7.370
  337   1HE   LYS  46          2HE       LYS  46 -12.262   4.168  -8.771
  338   2HE   LYS  46          3HE       LYS  46 -12.738   2.630  -9.462
  339   1HZ   LYS  46          1HZ       LYS  46 -14.266   3.928  -7.819
  340   2HZ   LYS  46          2HZ       LYS  46 -14.252   2.295  -7.844
  341   3HZ   LYS  46          3HZ       LYS  46 -13.422   3.101  -6.691
  342    H    ASP  47           HN       ASP  47  -9.366   4.790  -4.688
  343    HA   ASP  47           HA       ASP  47  -7.206   6.203  -3.900
  344   1HB   ASP  47          2HB       ASP  47  -9.650   5.521  -2.197
  345   2HB   ASP  47          3HB       ASP  47  -8.583   6.886  -1.931
  346    H    ALA  48           HN       ALA  48  -8.215   2.966  -2.994
  347    HA   ALA  48           HA       ALA  48  -7.417   2.554  -0.475
  348   1HB   ALA  48          1HB       ALA  48  -6.523   0.725  -2.721
  349   2HB   ALA  48          2HB       ALA  48  -7.086   0.290  -1.088
  350   3HB   ALA  48          3HB       ALA  48  -8.240   0.915  -2.291
  351    H    CYS  49           HN       CYS  49  -5.191   2.560  -3.350
  352    HA   CYS  49           HA       CYS  49  -2.990   2.881  -1.457
  353   1HB   CYS  49          2HB       CYS  49  -3.260   1.601  -4.120
  354   2HB   CYS  49          3HB       CYS  49  -1.755   2.448  -3.816
  355    H    LYS  50           HN       LYS  50  -3.358   3.793  -4.943
  356    HA   LYS  50           HA       LYS  50  -1.935   6.071  -4.908
  357   1HB   LYS  50          2HB       LYS  50  -3.385   6.800  -6.830
  358   2HB   LYS  50          3HB       LYS  50  -2.708   5.190  -6.967
  359   1HG   LYS  50          2HG       LYS  50  -4.772   4.130  -6.609
  360   2HG   LYS  50          3HG       LYS  50  -5.422   5.466  -5.679
  361   1HD   LYS  50          2HD       LYS  50  -4.793   6.336  -8.402
  362   2HD   LYS  50          3HD       LYS  50  -5.842   4.933  -8.438
  363   1HE   LYS  50          2HE       LYS  50  -7.540   6.023  -7.133
  364   2HE   LYS  50          3HE       LYS  50  -6.446   7.287  -6.607
  365   1HZ   LYS  50          1HZ       LYS  50  -8.048   7.254  -8.863
  366   2HZ   LYS  50          2HZ       LYS  50  -7.045   8.442  -8.361
  367   3HZ   LYS  50          3HZ       LYS  50  -6.500   7.287  -9.379
  368    H    THR  51           HN       THR  51  -1.969   7.609  -3.339
  369    HA   THR  51           HA       THR  51  -3.887   9.537  -3.212
  370    HB   THR  51           HB       THR  51  -4.627   7.069  -1.710
  371    HG1  THR  51           HG1      THR  51  -5.806   8.299  -3.448
  372   1HG2  THR  51          1HG       THR  51  -4.479   9.797  -0.406
  373   2HG2  THR  51          2HG       THR  51  -5.926   8.800  -0.122
  374   3HG2  THR  51          3HG       THR  51  -4.318   8.188   0.339
  375    H    CYS  52           HN       CYS  52  -1.936   7.493  -0.941
  376    HA   CYS  52           HA       CYS  52  -0.839   9.994   0.092
  377   1HB   CYS  52          2HB       CYS  52  -1.841   8.569   1.772
  378   2HB   CYS  52          3HB       CYS  52  -0.868   7.205   1.258
  379    H    HIS  53           HN       HIS  53  -0.053   9.172  -2.514
  380    HA   HIS  53           HA       HIS  53   2.714   8.417  -1.965
  381   1HB   HIS  53          2HB       HIS  53   0.751   7.002  -3.648
  382   2HB   HIS  53          3HB       HIS  53   2.265   7.347  -4.460
  383    HD1  HIS  53           HD1      HIS  53   3.611   5.246  -4.382
  384    HD2  HIS  53           HD2      HIS  53   1.716   6.039  -0.724
  385    HE1  HIS  53           HE1      HIS  53   4.395   3.436  -2.763
  386    H    LYS  54           HN       LYS  54   0.302   9.847  -4.244
  387    HA   LYS  54           HA       LYS  54   1.919  10.984  -6.076
  388   1HB   LYS  54          2HB       LYS  54  -0.592  12.062  -4.774
  389   2HB   LYS  54          3HB       LYS  54   0.170  12.830  -6.153
  390   1HG   LYS  54          2HG       LYS  54  -0.031  10.715  -7.458
  391   2HG   LYS  54          3HG       LYS  54  -0.760   9.920  -6.077
  392   1HD   LYS  54          2HD       LYS  54  -2.669  11.501  -6.133
  393   2HD   LYS  54          3HD       LYS  54  -1.926  12.390  -7.447
  394   1HE   LYS  54          2HE       LYS  54  -1.914   9.837  -8.496
  395   2HE   LYS  54          3HE       LYS  54  -3.354   9.768  -7.500
  396   1HZ   LYS  54          1HZ       LYS  54  -4.080  11.821  -8.592
  397   2HZ   LYS  54          2HZ       LYS  54  -2.781  11.761  -9.581
  398   3HZ   LYS  54          3HZ       LYS  54  -3.909  10.581  -9.642
  399    H    SER  55           HN       SER  55   1.497  11.926  -2.663
  400    HA   SER  55           HA       SER  55   2.494  14.427  -2.689
  401   1HB   SER  55          2HB       SER  55   1.645  13.154  -0.692
  402   2HB   SER  55          3HB       SER  55   3.155  12.265  -0.641
  403    HG   SER  55           HG       SER  55   3.906  14.810  -0.712
  404    H    ASN  56           HN       ASN  56   4.520  11.490  -1.934
  405    HA   ASN  56           HA       ASN  56   6.811  13.002  -2.845
  406   1HB   ASN  56          2HB       ASN  56   6.556  10.342  -1.349
  407   2HB   ASN  56          3HB       ASN  56   8.094  11.027  -1.832
  408   1HD2  ASN  56          1HD       ASN  56   8.408  13.374  -1.199
  409   2HD2  ASN  56          2HD       ASN  56   7.959  13.830   0.411
  410    H    ASN  57           HN       ASN  57   5.717   9.519  -2.966
  411    HA   ASN  57           HA       ASN  57   7.133   9.103  -5.374
  412   1HB   ASN  57          2HB       ASN  57   5.944   7.496  -3.339
  413   2HB   ASN  57          3HB       ASN  57   5.076   7.083  -4.805
  414   1HD2  ASN  57          1HD       ASN  57   7.855   6.631  -2.973
  415   2HD2  ASN  57          2HD       ASN  57   8.832   5.758  -4.106
  416    H    GLY  58           HN       GLY  58   5.215   7.376  -6.755
  417   1HA   GLY  58          1HA       GLY  58   2.701   8.442  -7.205
  418   2HA   GLY  58          2HA       GLY  58   3.788   9.312  -8.270
  419    HA   PRO  59           HA       PRO  59   4.088   4.769  -9.567
  420   1HB   PRO  59          2HB       PRO  59   2.724   2.836  -8.198
  421   2HB   PRO  59          3HB       PRO  59   4.404   3.225  -7.887
  422   1HG   PRO  59          2HG       PRO  59   2.015   3.915  -6.288
  423   2HG   PRO  59          3HG       PRO  59   3.698   3.914  -5.801
  424   1HD   PRO  59          2HD       PRO  59   2.098   6.207  -6.439
  425   2HD   PRO  59          3HD       PRO  59   3.810   6.195  -6.066
  426    H    THR  60           HN       THR  60   2.503   6.567 -10.622
  427    HA   THR  60           HA       THR  60  -0.174   5.657 -10.858
  428    HB   THR  60           HB       THR  60   1.614   7.661 -12.307
  429    HG1  THR  60           HG1      THR  60  -0.772   7.648 -10.593
  430   1HG2  THR  60          1HG       THR  60   0.102   7.550 -14.050
  431   2HG2  THR  60          2HG       THR  60  -1.060   6.597 -13.096
  432   3HG2  THR  60          3HG       THR  60  -0.995   8.365 -12.911
  433    H    LYS  61           HN       LYS  61   2.393   5.796 -13.421
  434    HA   LYS  61           HA       LYS  61   0.970   3.883 -14.970
  435   1HB   LYS  61          2HB       LYS  61   2.417   4.434 -16.632
  436   2HB   LYS  61          3HB       LYS  61   2.650   5.844 -15.618
  437   1HG   LYS  61          2HG       LYS  61   4.542   4.427 -14.462
  438   2HG   LYS  61          3HG       LYS  61   4.439   3.403 -15.881
  439   1HD   LYS  61          2HD       LYS  61   4.695   5.588 -17.273
  440   2HD   LYS  61          3HD       LYS  61   5.161   6.359 -15.770
  441   1HE   LYS  61          2HE       LYS  61   7.182   5.215 -15.638
  442   2HE   LYS  61          3HE       LYS  61   6.548   3.777 -16.413
  443   1HZ   LYS  61          1HZ       LYS  61   6.411   5.719 -18.310
  444   2HZ   LYS  61          2HZ       LYS  61   7.848   5.983 -17.581
  445   3HZ   LYS  61          3HZ       LYS  61   7.518   4.521 -18.230
  446    H    CYS  62           HN       CYS  62   1.678   1.725 -15.543
  447    HA   CYS  62           HA       CYS  62   2.239   0.131 -13.427
  448   1HB   CYS  62          2HB       CYS  62   3.011  -0.435 -16.296
  449   2HB   CYS  62          3HB       CYS  62   2.777  -1.620 -15.027
  450    H    GLY  63           HN       GLY  63   4.228  -1.070 -12.802
  451   1HA   GLY  63          1HA       GLY  63   6.546  -1.391 -12.871
  452   2HA   GLY  63          2HA       GLY  63   6.746   0.129 -13.718
  453    H    GLY  64           HN       GLY  64   5.016   1.766 -12.025
  454   1HA   GLY  64          1HA       GLY  64   6.688   2.866 -10.241
  455   2HA   GLY  64          2HA       GLY  64   4.951   2.817 -10.017
  456    H    CYS  65           HN       CYS  65   3.990   0.933  -8.845
  457    HA   CYS  65           HA       CYS  65   5.805   0.126  -6.736
  458   1HB   CYS  65          2HB       CYS  65   3.726  -0.668  -5.618
  459   2HB   CYS  65          3HB       CYS  65   3.789   1.054  -5.936
  460    H    HIS  66           HN       HIS  66   3.445  -1.258  -9.126
  461    HA   HIS  66           HA       HIS  66   3.725  -3.893  -8.561
  462   1HB   HIS  66          2HB       HIS  66   2.820  -2.272 -10.779
  463   2HB   HIS  66          3HB       HIS  66   3.628  -3.707 -11.378
  464    HD1  HIS  66           HD1      HIS  66   2.000  -5.540 -11.798
  465    HD2  HIS  66           HD2      HIS  66   0.910  -3.215  -8.481
  466    HE1  HIS  66           HE1      HIS  66  -0.165  -6.548 -10.899
  467    H    ILE  67           HN       ILE  67   5.052  -5.632  -9.414
  468    HA   ILE  67           HA       ILE  67   7.665  -4.675 -10.356
  469    HB   ILE  67           HB       ILE  67   7.023  -6.825  -8.342
  470   1HG1  ILE  67          2HG       ILE  67   7.049  -4.545  -7.451
  471   2HG1  ILE  67          3HG       ILE  67   8.386  -5.495  -6.830
  472   1HG2  ILE  67          1HG       ILE  67   9.515  -6.321  -9.942
  473   2HG2  ILE  67          2HG       ILE  67   9.617  -6.978  -8.290
  474   3HG2  ILE  67          3HG       ILE  67   8.710  -7.857  -9.544
  475   1HD1  ILE  67          1HD       ILE  67   8.470  -3.019  -8.330
  476   2HD1  ILE  67          2HD       ILE  67   9.815  -3.907  -7.574
  477   3HD1  ILE  67          3HD       ILE  67   9.326  -4.286  -9.244
  478    H    LYS  68           HN       LYS  68   7.142  -4.983 -12.559
  479    HA   LYS  68           HA       LYS  68   7.038  -7.809 -13.290
  480   1HB   LYS  68          2HB       LYS  68   5.274  -7.501 -14.859
  481   2HB   LYS  68          3HB       LYS  68   4.715  -6.877 -13.320
  482   1HG   LYS  68          2HG       LYS  68   4.907  -4.617 -14.010
  483   2HG   LYS  68          3HG       LYS  68   6.051  -4.996 -15.283
  484   1HD   LYS  68          2HD       LYS  68   3.276  -6.184 -15.441
  485   2HD   LYS  68          3HD       LYS  68   3.481  -4.489 -15.838
  486   1HE   LYS  68          2HE       LYS  68   3.832  -5.462 -17.935
  487   2HE   LYS  68          3HE       LYS  68   5.482  -5.360 -17.351
  488   1HZ   LYS  68          1HZ       LYS  68   5.609  -7.559 -17.194
  489   2HZ   LYS  68          2HZ       LYS  68   4.115  -7.741 -16.560
  490   3HZ   LYS  68          3HZ       LYS  68   4.305  -7.599 -18.176
  491    HHA  HEC  98           HGM      HEC  98  -3.970  -5.319   7.768
  492    HHB  HEC  98           HDM      HEC  98  -1.749  -3.027  13.135
  493    HHC  HEC  98           HAM      HEC  98   1.571   1.227   9.818
  494    HHD  HEC  98           HBM      HEC  98  -1.105  -0.894   4.607
  495   1HMA  HEC  98          1HM       HEC  98  -2.037  -5.831  13.274
  496   2HMA  HEC  98          2HM       HEC  98  -3.460  -4.809  13.584
  497   3HMA  HEC  98          3HM       HEC  98  -3.662  -6.417  12.849
  498   1HAA  HEC  98          1HA       HEC  98  -4.358  -7.177  10.969
  499   2HAA  HEC  98          2HA       HEC  98  -4.921  -6.451   9.445
  500   1HBA  HEC  98          3HB       HEC  98  -3.770  -8.245   8.497
  501   2HBA  HEC  98          4HB       HEC  98  -2.368  -7.171   8.707
  502   1HMB  HEC  98          1HM       HEC  98  -1.533  -0.619  14.478
  503   2HMB  HEC  98          2HM       HEC  98  -0.361  -1.946  14.656
  504   3HMB  HEC  98          3HM       HEC  98   0.176  -0.257  14.818
  505    HAB  HEC  98           HT2      HEC  98   1.761   1.754  11.800
  506   1HBB  HEC  98          1HT       HEC  98   3.688   1.381  12.821
  507   2HBB  HEC  98          2HT       HEC  98   3.028   0.139  13.911
  508   3HBB  HEC  98          3HT       HEC  98   3.265  -0.227  12.187
  509   1HMC  HEC  98          1HM       HEC  98   2.716   2.159   8.398
  510   2HMC  HEC  98          2HM       HEC  98   2.681   2.520   6.656
  511   3HMC  HEC  98          3HM       HEC  98   1.538   3.326   7.755
  512    HAC  HEC  98           HT4      HEC  98   0.544   2.698   4.952
  513   1HBC  HEC  98          1HT       HEC  98  -1.076   0.689   3.487
  514   2HBC  HEC  98          2HT       HEC  98  -1.777   1.237   5.029
  515   3HBC  HEC  98          3HT       HEC  98  -1.375   2.422   3.763
  516   1HMD  HEC  98          1HM       HEC  98  -2.876  -1.484   3.187
  517   2HMD  HEC  98          2HM       HEC  98  -1.733  -2.810   2.867
  518   3HMD  HEC  98          3HM       HEC  98  -3.484  -3.133   2.901
  519   1HAD  HEC  98          1HA       HEC  98  -4.158  -5.822   5.572
  520   2HAD  HEC  98          2HA       HEC  98  -4.632  -4.749   4.234
  521   1HBD  HEC  98          3HB       HEC  98  -3.458  -6.602   3.317
  522   2HBD  HEC  98          4HB       HEC  98  -2.391  -5.179   3.208
  523    HHA  HEC 128           HGM      HEC 128   8.316   3.933  -0.471
  524    HHB  HEC 128           HDM      HEC 128   4.268  -0.163  -2.885
  525    HHC  HEC 128           HAM      HEC 128  -0.279   2.370   0.723
  526    HHD  HEC 128           HBM      HEC 128   3.794   6.666   2.668
  527   1HMA  HEC 128          1HM       HEC 128   6.177  -1.026  -3.220
  528   2HMA  HEC 128          2HM       HEC 128   7.430  -0.083  -4.061
  529   3HMA  HEC 128          3HM       HEC 128   7.847  -1.017  -2.604
  530   1HAA  HEC 128          1HA       HEC 128   9.514   2.258  -0.832
  531   2HAA  HEC 128          2HA       HEC 128   9.552   0.706  -1.700
  532   1HBA  HEC 128          3HB       HEC 128   9.207   1.846  -3.864
  533   2HBA  HEC 128          4HB       HEC 128   8.964   3.408  -3.048
  534   1HMB  HEC 128          1HM       HEC 128   1.817  -0.214  -4.148
  535   2HMB  HEC 128          2HM       HEC 128   2.400  -1.539  -3.114
  536   3HMB  HEC 128          3HM       HEC 128   0.657  -1.194  -3.220
  537    HAB  HEC 128           HT2      HEC 128  -1.246   1.122  -0.747
  538   1HBB  HEC 128          1HT       HEC 128  -1.391  -0.177   0.932
  539   2HBB  HEC 128          2HT       HEC 128  -1.684  -1.470  -0.254
  540   3HBB  HEC 128          3HT       HEC 128  -0.049  -1.217   0.402
  541   1HMC  HEC 128          1HM       HEC 128  -1.408   3.293   1.957
  542   2HMC  HEC 128          2HM       HEC 128  -1.225   4.346   3.380
  543   3HMC  HEC 128          3HM       HEC 128  -1.667   5.047   1.805
  544    HAC  HEC 128           HT4      HEC 128   1.827   7.299   3.342
  545   1HBC  HEC 128          1HT       HEC 128  -1.074   6.895   3.910
  546   2HBC  HEC 128          2HT       HEC 128   0.043   5.727   4.655
  547   3HBC  HEC 128          3HT       HEC 128   0.234   7.468   4.973
  548   1HMD  HEC 128          1HM       HEC 128   7.072   7.657   3.364
  549   2HMD  HEC 128          2HM       HEC 128   6.247   8.572   2.078
  550   3HMD  HEC 128          3HM       HEC 128   5.296   7.773   3.352
  551   1HAD  HEC 128          1HA       HEC 128   8.729   6.775   2.373
  552   2HAD  HEC 128          2HA       HEC 128   9.213   5.178   1.752
  553   1HBD  HEC 128          3HB       HEC 128  10.089   6.129  -0.038
  554   2HBD  HEC 128          4HB       HEC 128   8.514   6.843  -0.459
  555    HHA  HEC 158           HGM      HEC 158  -3.192  -7.692  -7.532
  556    HHB  HEC 158           HDM      HEC 158  -2.172  -6.050 -13.469
  557    HHC  HEC 158           HAM      HEC 158  -0.518  -0.271 -11.472
  558    HHD  HEC 158           HBM      HEC 158  -1.145  -2.232  -5.591
  559   1HMA  HEC 158          1HM       HEC 158  -4.308  -9.152 -12.429
  560   2HMA  HEC 158          2HM       HEC 158  -4.110  -7.686 -13.419
  561   3HMA  HEC 158          3HM       HEC 158  -2.725  -8.769 -13.147
  562   1HAA  HEC 158          1HA       HEC 158  -4.259  -8.964  -8.482
  563   2HAA  HEC 158          2HA       HEC 158  -5.229  -9.179  -9.959
  564   1HBA  HEC 158          3HB       HEC 158  -2.635 -10.043 -10.710
  565   2HBA  HEC 158          4HB       HEC 158  -2.843 -10.684  -9.063
  566   1HMB  HEC 158          1HM       HEC 158  -0.154  -3.774 -15.592
  567   2HMB  HEC 158          2HM       HEC 158  -0.826  -5.299 -14.968
  568   3HMB  HEC 158          3HM       HEC 158  -1.904  -4.078 -15.685
  569    HAB  HEC 158           HT2      HEC 158   0.445  -0.748 -13.798
  570   1HBB  HEC 158          1HT       HEC 158  -1.953   0.064 -12.981
  571   2HBB  HEC 158          2HT       HEC 158  -0.713   1.044 -13.801
  572   3HBB  HEC 158          3HT       HEC 158  -2.049   0.336 -14.738
  573   1HMC  HEC 158          1HM       HEC 158   1.106   1.260  -9.901
  574   2HMC  HEC 158          2HM       HEC 158  -0.585   1.624 -10.323
  575   3HMC  HEC 158          3HM       HEC 158   0.051   2.078  -8.724
  576    HAC  HEC 158           HT4      HEC 158   0.600  -0.573  -5.745
  577   1HBC  HEC 158          1HT       HEC 158  -1.805   0.586  -5.728
  578   2HBC  HEC 158          2HT       HEC 158  -0.556   1.023  -4.537
  579   3HBC  HEC 158          3HT       HEC 158  -0.835   2.061  -5.955
  580   1HMD  HEC 158          1HM       HEC 158  -2.726  -3.827  -3.376
  581   2HMD  HEC 158          2HM       HEC 158  -1.270  -4.842  -3.264
  582   3HMD  HEC 158          3HM       HEC 158  -1.139  -3.160  -3.830
  583   1HAD  HEC 158          1HA       HEC 158  -2.914  -6.519  -3.732
  584   2HAD  HEC 158          2HA       HEC 158  -4.351  -6.576  -4.781
  585   1HBD  HEC 158          3HB       HEC 158  -2.139  -8.149  -5.836
  586   2HBD  HEC 158          4HB       HEC 158  -2.645  -8.667  -4.209
  Start of MODEL   22
    1    H    ALA   1           HN       ALA   1   1.721  -5.131   4.417
    2    HA   ALA   1           HA       ALA   1  -0.247  -5.877   6.470
    3   1HB   ALA   1          1HB       ALA   1   0.511  -7.245   3.869
    4   2HB   ALA   1          2HB       ALA   1  -0.298  -8.106   5.201
    5   3HB   ALA   1          3HB       ALA   1  -1.102  -6.726   4.414
    6    H    ASP   2           HN       ASP   2   1.598  -5.394   7.956
    7    HA   ASP   2           HA       ASP   2   3.459  -5.872   9.016
    8   1HB   ASP   2          2HB       ASP   2   1.684  -8.168   8.996
    9   2HB   ASP   2          3HB       ASP   2   3.337  -8.744   9.067
   10    H    VAL   3           HN       VAL   3   3.827  -5.752   6.096
   11    HA   VAL   3           HA       VAL   3   5.469  -6.091   4.646
   12    HB   VAL   3           HB       VAL   3   6.606  -7.056   7.140
   13   1HG1  VAL   3          1HG       VAL   3   8.563  -8.190   5.836
   14   2HG1  VAL   3          2HG       VAL   3   7.103  -9.133   6.223
   15   3HG1  VAL   3          3HG       VAL   3   7.329  -8.474   4.584
   16   1HG2  VAL   3          1HG       VAL   3   7.735  -5.648   4.699
   17   2HG2  VAL   3          2HG       VAL   3   7.169  -4.898   6.211
   18   3HG2  VAL   3          3HG       VAL   3   8.627  -5.919   6.215
   19    H    VAL   4           HN       VAL   4   4.322  -7.114   3.037
   20    HA   VAL   4           HA       VAL   4   4.327 -10.048   3.187
   21    HB   VAL   4           HB       VAL   4   2.149  -8.121   2.472
   22   1HG1  VAL   4          1HG       VAL   4   2.241  -9.365   0.452
   23   2HG1  VAL   4          2HG       VAL   4   2.525 -10.895   1.317
   24   3HG1  VAL   4          3HG       VAL   4   0.937 -10.097   1.419
   25   1HG2  VAL   4          1HG       VAL   4   2.585  -9.640   4.677
   26   2HG2  VAL   4          2HG       VAL   4   0.972  -9.145   4.113
   27   3HG2  VAL   4          3HG       VAL   4   1.598 -10.761   3.707
   28    H    THR   5           HN       THR   5   4.433 -11.123   1.055
   29    HA   THR   5           HA       THR   5   5.482  -9.368  -1.054
   30    HB   THR   5           HB       THR   5   6.765 -11.827   0.219
   31    HG1  THR   5           HG1      THR   5   7.707  -9.196  -0.669
   32   1HG2  THR   5          1HG       THR   5   7.036 -12.250  -2.156
   33   2HG2  THR   5          2HG       THR   5   7.289 -10.521  -2.494
   34   3HG2  THR   5          3HG       THR   5   8.532 -11.449  -1.622
   35    H    TYR   6           HN       TYR   6   3.713  -9.463  -2.379
   36    HA   TYR   6           HA       TYR   6   2.509 -12.045  -2.890
   37   1HB   TYR   6          2HB       TYR   6   2.141  -9.154  -3.890
   38   2HB   TYR   6          3HB       TYR   6   1.098 -10.466  -4.402
   39    HD1  TYR   6           HD1      TYR   6   0.782 -11.931  -1.792
   40    HD2  TYR   6           HD2      TYR   6   0.672  -7.751  -2.701
   41    HE1  TYR   6           HE1      TYR   6  -0.713 -11.523   0.225
   42    HE2  TYR   6           HE2      TYR   6  -0.822  -7.359  -0.682
   43    HH   TYR   6           HH       TYR   6  -2.513  -9.638   0.778
   44    H    GLU   7           HN       GLU   7   3.778 -13.373  -4.153
   45    HA   GLU   7           HA       GLU   7   5.279 -12.226  -6.289
   46   1HB   GLU   7          2HB       GLU   7   4.891 -15.051  -5.243
   47   2HB   GLU   7          3HB       GLU   7   5.779 -14.746  -6.722
   48   1HG   GLU   7          2HG       GLU   7   7.483 -13.515  -5.605
   49   2HG   GLU   7          3HG       GLU   7   6.475 -13.204  -4.205
   50    H    ASN   8           HN       ASN   8   2.770 -11.456  -6.862
   51    HA   ASN   8           HA       ASN   8   1.021 -13.104  -8.031
   52   1HB   ASN   8          2HB       ASN   8   1.891 -10.366  -9.102
   53   2HB   ASN   8          3HB       ASN   8   0.365 -11.146  -9.467
   54   1HD2  ASN   8          1HD       ASN   8   1.203  -8.629  -8.022
   55   2HD2  ASN   8          2HD       ASN   8   0.345  -8.648  -6.517
   56    H    LYS   9           HN       LYS   9   0.581 -13.070 -10.626
   57    HA   LYS   9           HA       LYS   9   2.977 -14.204 -11.800
   58   1HB   LYS   9          2HB       LYS   9   0.239 -14.824 -11.884
   59   2HB   LYS   9          3HB       LYS   9   0.610 -14.217 -13.485
   60   1HG   LYS   9          2HG       LYS   9   2.818 -15.844 -12.910
   61   2HG   LYS   9          3HG       LYS   9   1.489 -16.719 -12.177
   62   1HD   LYS   9          2HD       LYS   9   0.404 -17.080 -14.216
   63   2HD   LYS   9          3HD       LYS   9   1.043 -15.619 -14.943
   64   1HE   LYS   9          2HE       LYS   9   3.216 -17.466 -14.260
   65   2HE   LYS   9          3HE       LYS   9   2.028 -18.259 -15.275
   66   1HZ   LYS   9          1HZ       LYS   9   2.703 -15.602 -16.098
   67   2HZ   LYS   9          2HZ       LYS   9   3.941 -16.664 -16.182
   68   3HZ   LYS   9          3HZ       LYS   9   2.552 -16.962 -16.989
   69    H    LYS  10           HN       LYS  10   0.664 -11.485 -12.250
   70    HA   LYS  10           HA       LYS  10   2.269 -10.543 -14.489
   71   1HB   LYS  10          2HB       LYS  10  -0.345  -9.487 -13.370
   72   2HB   LYS  10          3HB       LYS  10   0.444  -8.953 -14.842
   73   1HG   LYS  10          2HG       LYS  10   0.259 -11.285 -15.767
   74   2HG   LYS  10          3HG       LYS  10  -0.569 -11.786 -14.306
   75   1HD   LYS  10          2HD       LYS  10  -2.266  -9.875 -14.813
   76   2HD   LYS  10          3HD       LYS  10  -1.533  -9.800 -16.402
   77   1HE   LYS  10          2HE       LYS  10  -2.489 -11.776 -17.084
   78   2HE   LYS  10          3HE       LYS  10  -2.217 -12.561 -15.541
   79   1HZ   LYS  10          1HZ       LYS  10  -4.249 -12.035 -14.893
   80   2HZ   LYS  10          2HZ       LYS  10  -4.127 -10.475 -15.360
   81   3HZ   LYS  10          3HZ       LYS  10  -4.577 -11.617 -16.437
   82    H    GLY  11           HN       GLY  11   3.880 -10.535 -12.349
   83   1HA   GLY  11          1HA       GLY  11   5.307  -8.632 -11.861
   84   2HA   GLY  11          2HA       GLY  11   3.869  -7.707 -11.480
   85    H    ASN  12           HN       ASN  12   4.250  -7.255  -9.301
   86    HA   ASN  12           HA       ASN  12   3.498  -9.133  -7.465
   87   1HB   ASN  12          2HB       ASN  12   5.734  -9.453  -6.250
   88   2HB   ASN  12          3HB       ASN  12   5.589 -10.329  -7.761
   89   1HD2  ASN  12          1HD       ASN  12   7.513  -8.364  -5.947
   90   2HD2  ASN  12          2HD       ASN  12   8.577  -7.726  -7.156
   91    H    VAL  13           HN       VAL  13   2.962  -7.936  -5.589
   92    HA   VAL  13           HA       VAL  13   4.223  -5.290  -5.361
   93    HB   VAL  13           HB       VAL  13   1.946  -5.097  -6.132
   94   1HG1  VAL  13          1HG       VAL  13   0.474  -6.034  -3.846
   95   2HG1  VAL  13          2HG       VAL  13   0.332  -6.522  -5.551
   96   3HG1  VAL  13          3HG       VAL  13   1.482  -7.356  -4.480
   97   1HG2  VAL  13          1HG       VAL  13   2.630  -3.343  -4.663
   98   2HG2  VAL  13          2HG       VAL  13   0.971  -3.790  -4.199
   99   3HG2  VAL  13          3HG       VAL  13   2.349  -4.350  -3.222
  100    H    THR  14           HN       THR  14   5.644  -5.356  -3.696
  101    HA   THR  14           HA       THR  14   4.895  -6.986  -1.363
  102    HB   THR  14           HB       THR  14   7.525  -6.142  -2.646
  103    HG1  THR  14           HG1      THR  14   6.348  -8.178  -3.150
  104   1HG2  THR  14          1HG       THR  14   8.595  -7.352  -0.660
  105   2HG2  THR  14          2HG       THR  14   7.936  -5.746  -0.266
  106   3HG2  THR  14          3HG       THR  14   7.031  -7.212   0.180
  107    H    PHE  15           HN       PHE  15   4.248  -6.014   0.448
  108    HA   PHE  15           HA       PHE  15   4.441  -3.136   0.553
  109   1HB   PHE  15          2HB       PHE  15   3.293  -5.255   2.471
  110   2HB   PHE  15          3HB       PHE  15   2.964  -3.536   2.567
  111    HD1  PHE  15           HD1      PHE  15   2.807  -3.380  -0.617
  112    HD2  PHE  15           HD2      PHE  15   0.891  -5.714   2.363
  113    HE1  PHE  15           HE1      PHE  15   0.822  -3.675  -2.124
  114    HE2  PHE  15           HE2      PHE  15  -1.094  -6.010   0.857
  115    HZ   PHE  15           HZ       PHE  15  -1.105  -4.986  -1.369
  116    H    ASP  16           HN       ASP  16   4.643  -2.509   3.200
  117    HA   ASP  16           HA       ASP  16   6.882  -3.907   4.304
  118   1HB   ASP  16          2HB       ASP  16   7.354  -0.975   4.218
  119   2HB   ASP  16          3HB       ASP  16   8.498  -2.290   4.033
  120    H    HIS  17           HN       HIS  17   4.160  -3.601   5.149
  121    HA   HIS  17           HA       HIS  17   3.318  -1.561   6.581
  122   1HB   HIS  17          2HB       HIS  17   2.144  -3.681   6.432
  123   2HB   HIS  17          3HB       HIS  17   3.334  -4.460   7.456
  124    HD1  HIS  17           HD1      HIS  17   3.575  -2.636   9.846
  125    HD2  HIS  17           HD2      HIS  17  -0.093  -3.411   7.962
  126    HE1  HIS  17           HE1      HIS  17   1.765  -2.144  11.575
  127    H    LYS  18           HN       LYS  18   5.772  -3.942   7.797
  128    HA   LYS  18           HA       LYS  18   6.158  -2.695  10.256
  129   1HB   LYS  18          2HB       LYS  18   6.859  -4.968   9.857
  130   2HB   LYS  18          3HB       LYS  18   7.955  -4.470   8.585
  131   1HG   LYS  18          2HG       LYS  18   9.574  -4.294  10.166
  132   2HG   LYS  18          3HG       LYS  18   8.732  -2.883  10.776
  133   1HD   LYS  18          2HD       LYS  18   8.044  -3.983  12.647
  134   2HD   LYS  18          3HD       LYS  18   7.445  -5.342  11.718
  135   1HE   LYS  18          2HE       LYS  18   9.325  -6.586  12.105
  136   2HE   LYS  18          3HE       LYS  18  10.395  -5.243  11.757
  137   1HZ   LYS  18          1HZ       LYS  18  10.449  -4.648  13.903
  138   2HZ   LYS  18          2HZ       LYS  18   8.901  -5.067  14.213
  139   3HZ   LYS  18          3HZ       LYS  18  10.062  -6.213  14.164
  140    H    ALA  19           HN       ALA  19   8.657  -2.716   7.637
  141    HA   ALA  19           HA       ALA  19  10.143  -0.656   8.473
  142   1HB   ALA  19          1HB       ALA  19   9.515  -0.691   5.551
  143   2HB   ALA  19          2HB       ALA  19  11.088  -0.742   6.384
  144   3HB   ALA  19          3HB       ALA  19  10.092  -2.213   6.272
  145    H    HIS  20           HN       HIS  20   7.086  -0.411   6.551
  146    HA   HIS  20           HA       HIS  20   7.152   2.346   6.256
  147   1HB   HIS  20          2HB       HIS  20   5.005   0.249   6.176
  148   2HB   HIS  20          3HB       HIS  20   4.552   1.941   6.128
  149    HD1  HIS  20           HD1      HIS  20   7.772   1.155   4.440
  150    HD2  HIS  20           HD2      HIS  20   3.716   1.423   3.407
  151    HE1  HIS  20           HE1      HIS  20   7.689   1.247   1.892
  152    H    ALA  21           HN       ALA  21   5.314   0.341   8.675
  153    HA   ALA  21           HA       ALA  21   4.138   2.189  10.163
  154   1HB   ALA  21          1HB       ALA  21   5.660  -0.311  10.902
  155   2HB   ALA  21          2HB       ALA  21   4.898   0.678  12.171
  156   3HB   ALA  21          3HB       ALA  21   3.903  -0.026  10.875
  157    H    GLU  22           HN       GLU  22   7.659   1.636   9.939
  158    HA   GLU  22           HA       GLU  22   8.365   3.156  12.146
  159   1HB   GLU  22          2HB       GLU  22   9.989   2.830   9.589
  160   2HB   GLU  22          3HB       GLU  22  10.608   3.146  11.198
  161   1HG   GLU  22          2HG       GLU  22   9.058   0.830  11.549
  162   2HG   GLU  22          3HG       GLU  22   9.792   0.587   9.977
  163    H    LYS  23           HN       LYS  23   8.301   4.045   8.615
  164    HA   LYS  23           HA       LYS  23   8.689   6.811   9.264
  165   1HB   LYS  23          2HB       LYS  23   8.490   5.158   6.785
  166   2HB   LYS  23          3HB       LYS  23   8.109   6.863   6.652
  167   1HG   LYS  23          2HG       LYS  23  10.653   5.861   8.002
  168   2HG   LYS  23          3HG       LYS  23  10.576   6.206   6.286
  169   1HD   LYS  23          2HD       LYS  23   9.902   8.552   6.764
  170   2HD   LYS  23          3HD       LYS  23   9.896   8.217   8.484
  171   1HE   LYS  23          2HE       LYS  23  12.438   7.347   7.710
  172   2HE   LYS  23          3HE       LYS  23  12.185   8.743   6.679
  173   1HZ   LYS  23          1HZ       LYS  23  11.929  10.108   8.501
  174   2HZ   LYS  23          2HZ       LYS  23  11.601   8.889   9.538
  175   3HZ   LYS  23          3HZ       LYS  23  13.123   9.105   8.987
  176    H    LEU  24           HN       LEU  24   6.004   4.757   7.954
  177    HA   LEU  24           HA       LEU  24   4.150   6.811   7.739
  178   1HB   LEU  24          2HB       LEU  24   3.936   3.833   8.096
  179   2HB   LEU  24          3HB       LEU  24   2.507   4.844   8.014
  180    HG   LEU  24           HG       LEU  24   3.422   5.714   5.785
  181   1HD1  LEU  24          1HD       LEU  24   5.458   3.674   6.459
  182   2HD1  LEU  24          2HD       LEU  24   4.852   3.650   4.786
  183   3HD1  LEU  24          3HD       LEU  24   5.574   5.136   5.449
  184   1HD2  LEU  24          1HD       LEU  24   2.366   3.983   4.557
  185   2HD2  LEU  24          2HD       LEU  24   2.712   2.776   5.819
  186   3HD2  LEU  24          3HD       LEU  24   1.533   4.073   6.128
  187    H    GLY  25           HN       GLY  25   2.819   4.473   9.879
  188   1HA   GLY  25          1HA       GLY  25   3.248   4.884  12.381
  189   2HA   GLY  25          2HA       GLY  25   2.716   6.510  12.003
  190    H    CYS  26           HN       CYS  26   1.525   3.398  10.597
  191    HA   CYS  26           HA       CYS  26  -0.459   2.464  10.564
  192   1HB   CYS  26          2HB       CYS  26  -1.641   3.700  12.937
  193   2HB   CYS  26          3HB       CYS  26  -1.411   2.010  12.531
  194    H    ASP  27           HN       ASP  27  -1.434   5.500  12.298
  195    HA   ASP  27           HA       ASP  27  -3.652   6.119  11.156
  196   1HB   ASP  27          2HB       ASP  27  -1.286   8.020  11.469
  197   2HB   ASP  27          3HB       ASP  27  -2.915   8.579  11.142
  198    H    ALA  28           HN       ALA  28  -0.420   6.471   9.586
  199    HA   ALA  28           HA       ALA  28  -0.917   7.890   7.373
  200   1HB   ALA  28          1HB       ALA  28   0.817   5.579   8.070
  201   2HB   ALA  28          2HB       ALA  28   0.601   5.878   6.329
  202   3HB   ALA  28          3HB       ALA  28   1.243   7.163   7.378
  203    H    CYS  29           HN       CYS  29  -1.488   4.305   7.629
  204    HA   CYS  29           HA       CYS  29  -3.146   4.504   5.255
  205   1HB   CYS  29          2HB       CYS  29  -2.822   1.882   6.563
  206   2HB   CYS  29          3HB       CYS  29  -2.722   2.328   4.871
  207    H    HIS  30           HN       HIS  30  -3.212   3.435   8.721
  208    HA   HIS  30           HA       HIS  30  -6.028   2.963   8.616
  209   1HB   HIS  30          2HB       HIS  30  -4.235   3.133  11.050
  210   2HB   HIS  30          3HB       HIS  30  -5.811   2.374  10.944
  211    HD1  HIS  30           HD1      HIS  30  -5.888   0.253   9.128
  212    HD2  HIS  30           HD2      HIS  30  -2.154   1.404  10.655
  213    HE1  HIS  30           HE1      HIS  30  -4.317  -1.719   8.736
  214    H    GLU  31           HN       GLU  31  -6.547   4.108  11.327
  215    HA   GLU  31           HA       GLU  31  -6.035   6.809  11.372
  216   1HB   GLU  31          2HB       GLU  31  -7.455   6.753   9.259
  217   2HB   GLU  31          3HB       GLU  31  -8.805   6.224  10.243
  218   1HG   GLU  31          2HG       GLU  31  -8.205   8.348  11.722
  219   2HG   GLU  31          3HG       GLU  31  -7.367   8.890  10.282
  220    H    GLY  32           HN       GLY  32  -5.879   6.577  13.602
  221   1HA   GLY  32          1HA       GLY  32  -6.530   6.298  15.734
  222   2HA   GLY  32          2HA       GLY  32  -8.123   6.794  15.198
  223    H    THR  33           HN       THR  33  -6.031   4.074  16.037
  224    HA   THR  33           HA       THR  33  -6.491   1.968  16.586
  225    HB   THR  33           HB       THR  33  -9.431   2.813  16.420
  226    HG1  THR  33           HG1      THR  33  -7.933   4.157  17.767
  227   1HG2  THR  33          1HG       THR  33  -7.900   0.567  17.799
  228   2HG2  THR  33          2HG       THR  33  -9.426   1.181  18.479
  229   3HG2  THR  33          3HG       THR  33  -9.404   0.458  16.852
  230    HA   PRO  34           HA       PRO  34  -6.906   0.581  12.449
  231   1HB   PRO  34          2HB       PRO  34  -5.085  -1.449  12.633
  232   2HB   PRO  34          3HB       PRO  34  -4.652   0.190  12.189
  233   1HG   PRO  34          2HG       PRO  34  -4.214  -1.214  14.754
  234   2HG   PRO  34          3HG       PRO  34  -3.436   0.234  14.148
  235   1HD   PRO  34          2HD       PRO  34  -5.498   0.099  16.136
  236   2HD   PRO  34          3HD       PRO  34  -4.800   1.551  15.447
  237    H    ALA  35           HN       ALA  35  -6.717  -2.083  11.719
  238    HA   ALA  35           HA       ALA  35  -8.038  -3.820  13.397
  239   1HB   ALA  35          1HB       ALA  35  -9.859  -2.028  11.775
  240   2HB   ALA  35          2HB       ALA  35 -10.348  -3.681  12.217
  241   3HB   ALA  35          3HB       ALA  35  -9.983  -2.492  13.489
  242    H    LYS  36           HN       LYS  36  -8.126  -2.579   9.985
  243    HA   LYS  36           HA       LYS  36  -6.608  -4.659   8.969
  244   1HB   LYS  36          2HB       LYS  36  -8.074  -6.240   8.116
  245   2HB   LYS  36          3HB       LYS  36  -8.737  -5.927   9.707
  246   1HG   LYS  36          2HG       LYS  36 -10.710  -5.382   8.734
  247   2HG   LYS  36          3HG       LYS  36  -9.936  -3.982   8.020
  248   1HD   LYS  36          2HD       LYS  36 -10.711  -5.074   6.102
  249   2HD   LYS  36          3HD       LYS  36  -9.079  -5.705   6.198
  250   1HE   LYS  36          2HE       LYS  36 -10.131  -7.742   6.045
  251   2HE   LYS  36          3HE       LYS  36 -10.351  -7.540   7.773
  252   1HZ   LYS  36          1HZ       LYS  36 -12.476  -7.830   7.173
  253   2HZ   LYS  36          2HZ       LYS  36 -12.436  -6.222   6.891
  254   3HZ   LYS  36          3HZ       LYS  36 -12.279  -7.273   5.651
  255    H    ILE  37           HN       ILE  37  -7.348  -4.842   6.368
  256    HA   ILE  37           HA       ILE  37  -8.269  -2.281   5.436
  257    HB   ILE  37           HB       ILE  37  -5.409  -3.147   5.000
  258   1HG1  ILE  37          2HG       ILE  37  -6.630  -0.814   6.495
  259   2HG1  ILE  37          3HG       ILE  37  -5.676  -2.122   7.164
  260   1HG2  ILE  37          1HG       ILE  37  -6.625  -0.615   3.926
  261   2HG2  ILE  37          2HG       ILE  37  -5.136  -1.455   3.435
  262   3HG2  ILE  37          3HG       ILE  37  -6.724  -2.138   3.011
  263   1HD1  ILE  37          1HD       ILE  37  -3.825  -0.864   6.823
  264   2HD1  ILE  37          2HD       ILE  37  -4.087  -1.042   5.072
  265   3HD1  ILE  37          3HD       ILE  37  -4.771   0.356   5.937
  266    H    ALA  38           HN       ALA  38  -8.937  -2.358   3.241
  267    HA   ALA  38           HA       ALA  38  -9.307  -5.079   2.305
  268   1HB   ALA  38          1HB       ALA  38 -11.317  -4.120   1.918
  269   2HB   ALA  38          2HB       ALA  38 -10.652  -2.475   2.057
  270   3HB   ALA  38          3HB       ALA  38 -10.540  -3.352   0.512
  271    H    ILE  39           HN       ILE  39  -7.335  -5.777   1.458
  272    HA   ILE  39           HA       ILE  39  -6.273  -4.105  -0.713
  273    HB   ILE  39           HB       ILE  39  -4.897  -5.964   1.218
  274   1HG1  ILE  39          2HG       ILE  39  -5.412  -3.574   1.880
  275   2HG1  ILE  39          3HG       ILE  39  -3.732  -4.064   1.980
  276   1HG2  ILE  39          1HG       ILE  39  -3.731  -6.556  -0.657
  277   2HG2  ILE  39          2HG       ILE  39  -4.040  -5.009  -1.481
  278   3HG2  ILE  39          3HG       ILE  39  -2.829  -5.098  -0.179
  279   1HD1  ILE  39          1HD       ILE  39  -4.893  -1.928   0.417
  280   2HD1  ILE  39          2HD       ILE  39  -3.175  -2.350   0.614
  281   3HD1  ILE  39          3HD       ILE  39  -4.133  -3.101  -0.685
  282    H    ASP  40           HN       ASP  40  -7.153  -4.855  -2.582
  283    HA   ASP  40           HA       ASP  40  -6.497  -7.490  -3.341
  284   1HB   ASP  40          2HB       ASP  40  -8.992  -8.001  -3.931
  285   2HB   ASP  40          3HB       ASP  40  -8.452  -8.270  -2.286
  286    H    LYS  41           HN       LYS  41  -7.513  -7.873  -5.690
  287    HA   LYS  41           HA       LYS  41  -6.965  -5.548  -7.205
  288   1HB   LYS  41          2HB       LYS  41  -6.357  -7.724  -8.039
  289   2HB   LYS  41          3HB       LYS  41  -8.012  -8.293  -7.943
  290   1HG   LYS  41          2HG       LYS  41  -7.882  -5.825  -9.507
  291   2HG   LYS  41          3HG       LYS  41  -6.759  -7.007 -10.149
  292   1HD   LYS  41          2HD       LYS  41  -9.575  -7.874  -9.448
  293   2HD   LYS  41          3HD       LYS  41  -9.298  -7.001 -10.941
  294   1HE   LYS  41          2HE       LYS  41  -7.951  -8.711 -11.858
  295   2HE   LYS  41          3HE       LYS  41  -7.514  -9.356 -10.289
  296   1HZ   LYS  41          1HZ       LYS  41 -10.318  -9.430 -10.915
  297   2HZ   LYS  41          2HZ       LYS  41  -9.375 -10.405 -11.824
  298   3HZ   LYS  41          3HZ       LYS  41  -9.380 -10.557 -10.197
  299    H    LYS  42           HN       LYS  42  -8.647  -4.263  -5.849
  300    HA   LYS  42           HA       LYS  42 -10.775  -3.654  -7.538
  301   1HB   LYS  42          2HB       LYS  42 -11.724  -5.787  -6.792
  302   2HB   LYS  42          3HB       LYS  42 -11.573  -5.297  -5.116
  303   1HG   LYS  42          2HG       LYS  42 -13.559  -4.211  -5.225
  304   2HG   LYS  42          3HG       LYS  42 -12.952  -3.184  -6.510
  305   1HD   LYS  42          2HD       LYS  42 -13.538  -4.955  -8.190
  306   2HD   LYS  42          3HD       LYS  42 -14.164  -5.963  -6.900
  307   1HE   LYS  42          2HE       LYS  42 -15.268  -3.193  -6.944
  308   2HE   LYS  42          3HE       LYS  42 -15.674  -4.157  -8.350
  309   1HZ   LYS  42          1HZ       LYS  42 -16.665  -4.372  -5.740
  310   2HZ   LYS  42          2HZ       LYS  42 -17.181  -5.124  -7.095
  311   3HZ   LYS  42          3HZ       LYS  42 -16.005  -5.798  -6.183
  312    H    SER  43           HN       SER  43  -9.463  -3.740  -4.191
  313    HA   SER  43           HA       SER  43 -10.342  -0.970  -3.952
  314   1HB   SER  43          2HB       SER  43 -10.881  -3.047  -2.240
  315   2HB   SER  43          3HB       SER  43  -9.412  -2.422  -1.517
  316    HG   SER  43           HG       SER  43 -10.901  -0.267  -2.097
  317    H    ALA  44           HN       ALA  44  -7.647  -3.316  -3.554
  318    HA   ALA  44           HA       ALA  44  -5.762  -1.591  -2.473
  319   1HB   ALA  44          1HB       ALA  44  -5.546  -4.026  -4.281
  320   2HB   ALA  44          2HB       ALA  44  -4.138  -3.234  -3.534
  321   3HB   ALA  44          3HB       ALA  44  -5.396  -3.965  -2.509
  322    H    HIS  45           HN       HIS  45  -7.305  -1.586  -5.575
  323    HA   HIS  45           HA       HIS  45  -5.100  -0.126  -6.778
  324   1HB   HIS  45          2HB       HIS  45  -7.576  -1.471  -7.811
  325   2HB   HIS  45          3HB       HIS  45  -6.831  -0.204  -8.765
  326    HD1  HIS  45           HD1      HIS  45  -6.659  -2.606 -10.296
  327    HD2  HIS  45           HD2      HIS  45  -3.939  -1.973  -7.167
  328    HE1  HIS  45           HE1      HIS  45  -4.670  -4.138 -10.756
  329    H    LYS  46           HN       LYS  46  -7.600   0.527  -4.700
  330    HA   LYS  46           HA       LYS  46  -8.181   3.109  -5.969
  331   1HB   LYS  46          2HB       LYS  46  -9.816   1.157  -4.580
  332   2HB   LYS  46          3HB       LYS  46  -9.904   2.712  -3.777
  333   1HG   LYS  46          2HG       LYS  46 -10.043   3.437  -6.465
  334   2HG   LYS  46          3HG       LYS  46 -10.906   1.912  -6.453
  335   1HD   LYS  46          2HD       LYS  46 -12.367   2.739  -4.607
  336   2HD   LYS  46          3HD       LYS  46 -11.488   4.255  -4.578
  337   1HE   LYS  46          2HE       LYS  46 -12.122   4.267  -7.197
  338   2HE   LYS  46          3HE       LYS  46 -13.413   3.212  -6.655
  339   1HZ   LYS  46          1HZ       LYS  46 -13.865   4.959  -4.944
  340   2HZ   LYS  46          2HZ       LYS  46 -12.859   5.948  -5.766
  341   3HZ   LYS  46          3HZ       LYS  46 -14.211   5.377  -6.484
  342    H    ASP  47           HN       ASP  47  -9.034   4.434  -3.579
  343    HA   ASP  47           HA       ASP  47  -6.847   5.688  -2.795
  344   1HB   ASP  47          2HB       ASP  47  -8.131   5.853  -0.454
  345   2HB   ASP  47          3HB       ASP  47  -8.764   6.629  -1.892
  346    H    ALA  48           HN       ALA  48  -7.924   2.445  -1.840
  347    HA   ALA  48           HA       ALA  48  -6.832   1.912   0.522
  348   1HB   ALA  48          1HB       ALA  48  -6.375   0.178  -1.936
  349   2HB   ALA  48          2HB       ALA  48  -6.541  -0.358  -0.247
  350   3HB   ALA  48          3HB       ALA  48  -7.942   0.326  -1.106
  351    H    CYS  49           HN       CYS  49  -4.911   1.681  -2.563
  352    HA   CYS  49           HA       CYS  49  -2.521   2.009  -0.923
  353   1HB   CYS  49          2HB       CYS  49  -3.084   0.189  -2.889
  354   2HB   CYS  49          3HB       CYS  49  -2.204   1.409  -3.790
  355    H    LYS  50           HN       LYS  50  -3.353   2.859  -4.358
  356    HA   LYS  50           HA       LYS  50  -1.787   5.075  -4.538
  357   1HB   LYS  50          2HB       LYS  50  -3.096   5.676  -6.461
  358   2HB   LYS  50          3HB       LYS  50  -2.947   3.931  -6.406
  359   1HG   LYS  50          2HG       LYS  50  -5.209   3.809  -6.527
  360   2HG   LYS  50          3HG       LYS  50  -5.273   4.457  -4.899
  361   1HD   LYS  50          2HD       LYS  50  -5.023   6.805  -6.088
  362   2HD   LYS  50          3HD       LYS  50  -5.521   5.945  -7.531
  363   1HE   LYS  50          2HE       LYS  50  -7.691   5.939  -6.860
  364   2HE   LYS  50          3HE       LYS  50  -7.268   5.197  -5.329
  365   1HZ   LYS  50          1HZ       LYS  50  -6.531   7.944  -5.496
  366   2HZ   LYS  50          2HZ       LYS  50  -8.141   7.705  -5.631
  367   3HZ   LYS  50          3HZ       LYS  50  -7.341   7.154  -4.319
  368    H    THR  51           HN       THR  51  -1.693   6.457  -2.776
  369    HA   THR  51           HA       THR  51  -3.642   8.470  -2.634
  370    HB   THR  51           HB       THR  51  -3.943   6.098  -0.814
  371    HG1  THR  51           HG1      THR  51  -5.404   7.074  -2.568
  372   1HG2  THR  51          1HG       THR  51  -4.007   8.997   0.092
  373   2HG2  THR  51          2HG       THR  51  -5.210   7.852   0.733
  374   3HG2  THR  51          3HG       THR  51  -3.473   7.558   0.995
  375    H    CYS  52           HN       CYS  52  -1.293   6.662  -0.541
  376    HA   CYS  52           HA       CYS  52  -0.283   9.173   0.421
  377   1HB   CYS  52          2HB       CYS  52  -0.209   7.689   2.134
  378   2HB   CYS  52          3HB       CYS  52   0.068   6.308   1.092
  379    H    HIS  53           HN       HIS  53   0.986   6.278  -1.393
  380    HA   HIS  53           HA       HIS  53   3.460   7.266  -1.984
  381   1HB   HIS  53          2HB       HIS  53   1.647   5.214  -3.090
  382   2HB   HIS  53          3HB       HIS  53   2.856   5.799  -4.217
  383    HD1  HIS  53           HD1      HIS  53   5.308   5.120  -3.818
  384    HD2  HIS  53           HD2      HIS  53   2.702   3.869  -0.778
  385    HE1  HIS  53           HE1      HIS  53   6.632   3.493  -2.366
  386    H    LYS  54           HN       LYS  54   0.316   8.235  -3.222
  387    HA   LYS  54           HA       LYS  54   1.000   9.271  -5.676
  388   1HB   LYS  54          2HB       LYS  54  -1.027  10.266  -3.651
  389   2HB   LYS  54          3HB       LYS  54  -0.955  10.780  -5.325
  390   1HG   LYS  54          2HG       LYS  54  -1.251   8.404  -6.064
  391   2HG   LYS  54          3HG       LYS  54  -1.327   7.894  -4.390
  392   1HD   LYS  54          2HD       LYS  54  -3.586   8.172  -4.627
  393   2HD   LYS  54          3HD       LYS  54  -3.239   9.873  -4.388
  394   1HE   LYS  54          2HE       LYS  54  -3.044   8.706  -7.177
  395   2HE   LYS  54          3HE       LYS  54  -4.623   9.073  -6.515
  396   1HZ   LYS  54          1HZ       LYS  54  -3.105  11.254  -5.951
  397   2HZ   LYS  54          2HZ       LYS  54  -2.652  10.845  -7.466
  398   3HZ   LYS  54          3HZ       LYS  54  -4.224  11.136  -7.133
  399    H    SER  55           HN       SER  55   0.677  11.229  -2.629
  400    HA   SER  55           HA       SER  55   2.267  13.263  -3.806
  401   1HB   SER  55          2HB       SER  55   0.677  12.882  -1.320
  402   2HB   SER  55          3HB       SER  55   2.066  13.933  -1.133
  403    HG   SER  55           HG       SER  55   1.280  15.203  -2.950
  404    H    ASN  56           HN       ASN  56   3.961  11.254  -4.048
  405    HA   ASN  56           HA       ASN  56   6.141  11.977  -2.551
  406   1HB   ASN  56          2HB       ASN  56   4.469  10.285  -1.038
  407   2HB   ASN  56          3HB       ASN  56   5.665   9.182  -1.691
  408   1HD2  ASN  56          1HD       ASN  56   5.279  12.290  -0.033
  409   2HD2  ASN  56          2HD       ASN  56   6.736  12.231   0.904
  410    H    ASN  57           HN       ASN  57   7.817   9.801  -2.688
  411    HA   ASN  57           HA       ASN  57   8.152   9.430  -5.397
  412   1HB   ASN  57          2HB       ASN  57   9.813   7.631  -4.664
  413   2HB   ASN  57          3HB       ASN  57  10.041   9.181  -3.879
  414   1HD2  ASN  57          1HD       ASN  57   9.454   9.479  -1.734
  415   2HD2  ASN  57          2HD       ASN  57   9.193   8.165  -0.635
  416    H    GLY  58           HN       GLY  58   6.476   8.390  -6.555
  417   1HA   GLY  58          1HA       GLY  58   6.200   5.620  -6.465
  418   2HA   GLY  58          2HA       GLY  58   4.895   6.295  -5.509
  419    HA   PRO  59           HA       PRO  59   4.417   7.275 -10.144
  420   1HB   PRO  59          2HB       PRO  59   4.836   5.079 -11.717
  421   2HB   PRO  59          3HB       PRO  59   6.028   6.345 -11.503
  422   1HG   PRO  59          2HG       PRO  59   5.981   3.629 -10.339
  423   2HG   PRO  59          3HG       PRO  59   7.331   4.736 -10.488
  424   1HD   PRO  59          2HD       PRO  59   5.835   4.167  -8.108
  425   2HD   PRO  59          3HD       PRO  59   7.107   5.358  -8.286
  426    H    THR  60           HN       THR  60   2.395   7.369  -8.917
  427    HA   THR  60           HA       THR  60   0.769   5.019  -8.996
  428    HB   THR  60           HB       THR  60   0.573   6.691  -7.192
  429    HG1  THR  60           HG1      THR  60  -1.653   6.941  -9.079
  430   1HG2  THR  60          1HG       THR  60  -0.030   8.561  -9.527
  431   2HG2  THR  60          2HG       THR  60  -0.644   8.893  -7.890
  432   3HG2  THR  60          3HG       THR  60   1.110   8.816  -8.184
  433    H    LYS  61           HN       LYS  61   1.580   5.069 -11.519
  434    HA   LYS  61           HA       LYS  61  -0.683   6.274 -12.957
  435   1HB   LYS  61          2HB       LYS  61   0.682   6.930 -14.636
  436   2HB   LYS  61          3HB       LYS  61   1.882   6.938 -13.359
  437   1HG   LYS  61          2HG       LYS  61   2.320   4.446 -13.992
  438   2HG   LYS  61          3HG       LYS  61   1.395   4.773 -15.444
  439   1HD   LYS  61          2HD       LYS  61   3.525   5.289 -16.221
  440   2HD   LYS  61          3HD       LYS  61   3.032   6.872 -15.653
  441   1HE   LYS  61          2HE       LYS  61   4.314   6.689 -13.641
  442   2HE   LYS  61          3HE       LYS  61   4.456   4.947 -13.782
  443   1HZ   LYS  61          1HZ       LYS  61   5.703   6.906 -15.582
  444   2HZ   LYS  61          2HZ       LYS  61   6.472   6.029 -14.440
  445   3HZ   LYS  61          3HZ       LYS  61   5.821   5.284 -15.738
  446    H    CYS  62           HN       CYS  62   1.289   3.392 -12.276
  447    HA   CYS  62           HA       CYS  62  -0.762   1.647 -12.812
  448   1HB   CYS  62          2HB       CYS  62  -0.672   2.181 -15.130
  449   2HB   CYS  62          3HB       CYS  62   1.075   2.041 -15.172
  450    H    GLY  63           HN       GLY  63   2.804   2.060 -13.421
  451   1HA   GLY  63          1HA       GLY  63   3.322  -0.443 -11.986
  452   2HA   GLY  63          2HA       GLY  63   4.443   0.458 -12.987
  453    H    GLY  64           HN       GLY  64   2.299   1.766 -10.391
  454   1HA   GLY  64          1HA       GLY  64   4.644   2.949  -9.118
  455   2HA   GLY  64          2HA       GLY  64   2.959   3.312  -8.805
  456    H    CYS  65           HN       CYS  65   4.739   0.146  -8.872
  457    HA   CYS  65           HA       CYS  65   5.210  -0.298  -6.304
  458   1HB   CYS  65          2HB       CYS  65   3.089  -1.621  -5.595
  459   2HB   CYS  65          3HB       CYS  65   3.179   0.111  -5.348
  460    H    HIS  66           HN       HIS  66   3.162  -1.714  -8.951
  461    HA   HIS  66           HA       HIS  66   4.021  -4.334  -8.593
  462   1HB   HIS  66          2HB       HIS  66   2.760  -2.799 -10.847
  463   2HB   HIS  66          3HB       HIS  66   3.317  -4.438 -11.123
  464    HD1  HIS  66           HD1      HIS  66   2.440  -5.968  -8.690
  465    HD2  HIS  66           HD2      HIS  66   0.077  -2.963 -10.417
  466    HE1  HIS  66           HE1      HIS  66   0.041  -6.432  -7.953
  467    H    ILE  67           HN       ILE  67   6.040  -5.151  -8.770
  468    HA   ILE  67           HA       ILE  67   8.000  -3.666 -10.285
  469    HB   ILE  67           HB       ILE  67   8.169  -6.105  -8.516
  470   1HG1  ILE  67          2HG       ILE  67   9.649  -3.773  -7.658
  471   2HG1  ILE  67          3HG       ILE  67   7.967  -3.354  -7.915
  472   1HG2  ILE  67          1HG       ILE  67  10.387  -4.590  -9.919
  473   2HG2  ILE  67          2HG       ILE  67  10.617  -5.826  -8.657
  474   3HG2  ILE  67          3HG       ILE  67   9.884  -6.271 -10.217
  475   1HD1  ILE  67          1HD       ILE  67   7.771  -4.161  -5.763
  476   2HD1  ILE  67          2HD       ILE  67   7.603  -5.712  -6.620
  477   3HD1  ILE  67          3HD       ILE  67   9.175  -5.242  -5.930
  478    H    LYS  68           HN       LYS  68   7.784  -3.890 -12.472
  479    HA   LYS  68           HA       LYS  68   8.295  -6.497 -13.542
  480   1HB   LYS  68          2HB       LYS  68   5.814  -6.516 -13.153
  481   2HB   LYS  68          3HB       LYS  68   5.667  -5.170 -14.264
  482   1HG   LYS  68          2HG       LYS  68   6.829  -6.576 -16.033
  483   2HG   LYS  68          3HG       LYS  68   6.806  -7.928 -14.918
  484   1HD   LYS  68          2HD       LYS  68   4.174  -7.234 -14.796
  485   2HD   LYS  68          3HD       LYS  68   4.534  -6.654 -16.410
  486   1HE   LYS  68          2HE       LYS  68   3.788  -8.961 -16.605
  487   2HE   LYS  68          3HE       LYS  68   5.502  -8.926 -16.969
  488   1HZ   LYS  68          1HZ       LYS  68   5.367  -9.277 -14.278
  489   2HZ   LYS  68          2HZ       LYS  68   4.171 -10.228 -14.855
  490   3HZ   LYS  68          3HZ       LYS  68   5.701 -10.428 -15.387
  491    HHA  HEC  98           HGM      HEC  98  -4.604  -5.116   8.798
  492    HHB  HEC  98           HDM      HEC  98  -2.563  -2.231  13.944
  493    HHC  HEC  98           HAM      HEC  98   1.415   1.137  10.347
  494    HHD  HEC  98           HBM      HEC  98  -1.071  -1.516   5.287
  495   1HMA  HEC  98          1HM       HEC  98  -3.358  -5.378  14.311
  496   2HMA  HEC  98          2HM       HEC  98  -3.983  -3.738  14.607
  497   3HMA  HEC  98          3HM       HEC  98  -5.079  -5.019  14.040
  498   1HAA  HEC  98          1HA       HEC  98  -5.408  -6.421  12.191
  499   2HAA  HEC  98          2HA       HEC  98  -5.797  -5.879  10.540
  500   1HBA  HEC  98          3HB       HEC  98  -4.764  -7.872   9.926
  501   2HBA  HEC  98          4HB       HEC  98  -3.271  -6.930  10.140
  502   1HMB  HEC  98          1HM       HEC  98  -1.989  -0.804  15.152
  503   2HMB  HEC  98          2HM       HEC  98  -0.335  -0.267  15.531
  504   3HMB  HEC  98          3HM       HEC  98  -1.561   0.919  15.024
  505    HAB  HEC  98           HT2      HEC  98   1.585   1.878  12.230
  506   1HBB  HEC  98          1HT       HEC  98   2.303   0.612  14.796
  507   2HBB  HEC  98          2HT       HEC  98   2.745  -0.105  13.228
  508   3HBB  HEC  98          3HT       HEC  98   3.275   1.545  13.632
  509   1HMC  HEC  98          1HM       HEC  98   1.814   2.862   7.677
  510   2HMC  HEC  98          2HM       HEC  98   2.530   1.947   9.025
  511   3HMC  HEC  98          3HM       HEC  98   3.048   1.621   7.354
  512    HAC  HEC  98           HT4      HEC  98  -0.397   1.118   4.927
  513   1HBC  HEC  98          1HT       HEC  98   0.365  -0.670   3.756
  514   2HBC  HEC  98          2HT       HEC  98   1.862   0.280   3.590
  515   3HBC  HEC  98          3HT       HEC  98   1.724  -0.947   4.871
  516   1HMD  HEC  98          1HM       HEC  98  -3.587  -2.670   3.766
  517   2HMD  HEC  98          2HM       HEC  98  -1.808  -2.658   3.836
  518   3HMD  HEC  98          3HM       HEC  98  -2.684  -4.205   3.739
  519   1HAD  HEC  98          1HA       HEC  98  -4.815  -5.835   6.660
  520   2HAD  HEC  98          2HA       HEC  98  -4.818  -5.066   5.054
  521   1HBD  HEC  98          3HB       HEC  98  -3.013  -6.266   4.323
  522   2HBD  HEC  98          4HB       HEC  98  -2.364  -6.506   5.964
  523    HHA  HEC 128           HGM      HEC 128   9.283   2.312  -0.687
  524    HHB  HEC 128           HDM      HEC 128   4.569  -1.326  -2.560
  525    HHC  HEC 128           HAM      HEC 128   0.679   1.956   1.210
  526    HHD  HEC 128           HBM      HEC 128   5.407   5.767   2.604
  527   1HMA  HEC 128          1HM       HEC 128   7.868  -1.768  -3.855
  528   2HMA  HEC 128          2HM       HEC 128   7.789  -2.729  -2.359
  529   3HMA  HEC 128          3HM       HEC 128   6.293  -2.298  -3.220
  530   1HAA  HEC 128          1HA       HEC 128   9.940   0.248  -2.844
  531   2HAA  HEC 128          2HA       HEC 128  10.220   0.595  -1.122
  532   1HBA  HEC 128          3HB       HEC 128   9.805  -1.875  -0.622
  533   2HBA  HEC 128          4HB       HEC 128   9.713  -2.169  -2.374
  534   1HMB  HEC 128          1HM       HEC 128   2.194  -1.178  -3.631
  535   2HMB  HEC 128          2HM       HEC 128   2.405  -2.518  -2.480
  536   3HMB  HEC 128          3HM       HEC 128   0.807  -1.761  -2.680
  537    HAB  HEC 128           HT2      HEC 128  -0.500   0.684   0.135
  538   1HBB  HEC 128          1HT       HEC 128  -1.512  -1.274   0.808
  539   2HBB  HEC 128          2HT       HEC 128  -0.226  -2.273   0.089
  540   3HBB  HEC 128          3HT       HEC 128   0.139  -1.210   1.469
  541   1HMC  HEC 128          1HM       HEC 128   0.167   3.564   3.713
  542   2HMC  HEC 128          2HM       HEC 128  -0.097   5.053   2.777
  543   3HMC  HEC 128          3HM       HEC 128  -0.354   3.466   2.015
  544    HAC  HEC 128           HT4      HEC 128   3.550   6.600   3.586
  545   1HBC  HEC 128          1HT       HEC 128   1.080   5.493   4.439
  546   2HBC  HEC 128          2HT       HEC 128   1.945   6.884   5.134
  547   3HBC  HEC 128          3HT       HEC 128   0.715   7.141   3.873
  548   1HMD  HEC 128          1HM       HEC 128   8.554   7.119   1.830
  549   2HMD  HEC 128          2HM       HEC 128   6.979   7.001   2.650
  550   3HMD  HEC 128          3HM       HEC 128   8.414   6.231   3.367
  551   1HAD  HEC 128          1HA       HEC 128  10.279   5.184   1.973
  552   2HAD  HEC 128          2HA       HEC 128  10.505   3.531   1.356
  553   1HBD  HEC 128          3HB       HEC 128   9.851   5.522  -0.703
  554   2HBD  HEC 128          4HB       HEC 128  11.396   5.791   0.140
  555    HHA  HEC 158           HGM      HEC 158  -3.200  -7.672  -7.161
  556    HHB  HEC 158           HDM      HEC 158  -2.766  -5.926 -13.139
  557    HHC  HEC 158           HAM      HEC 158  -1.163  -0.110 -11.211
  558    HHD  HEC 158           HBM      HEC 158  -1.199  -2.157  -5.328
  559   1HMA  HEC 158          1HM       HEC 158  -5.146  -8.370 -12.277
  560   2HMA  HEC 158          2HM       HEC 158  -3.740  -7.770 -13.187
  561   3HMA  HEC 158          3HM       HEC 158  -3.617  -9.280 -12.254
  562   1HAA  HEC 158          1HA       HEC 158  -4.295  -8.974  -8.033
  563   2HAA  HEC 158          2HA       HEC 158  -5.386  -9.207  -9.420
  564   1HBA  HEC 158          3HB       HEC 158  -2.918  -9.993 -10.479
  565   2HBA  HEC 158          4HB       HEC 158  -2.801 -10.567  -8.799
  566   1HMB  HEC 158          1HM       HEC 158  -1.086  -4.854 -14.820
  567   2HMB  HEC 158          2HM       HEC 158  -2.790  -4.436 -15.113
  568   3HMB  HEC 158          3HM       HEC 158  -1.505  -3.284 -15.545
  569    HAB  HEC 158           HT2      HEC 158  -0.508  -0.387 -13.464
  570   1HBB  HEC 158          1HT       HEC 158  -2.172   1.031 -14.469
  571   2HBB  HEC 158          2HT       HEC 158  -3.412  -0.173 -14.046
  572   3HBB  HEC 158          3HT       HEC 158  -2.459   0.613 -12.765
  573   1HMC  HEC 158          1HM       HEC 158  -1.101   2.240  -8.841
  574   2HMC  HEC 158          2HM       HEC 158   0.591   1.740  -9.074
  575   3HMC  HEC 158          3HM       HEC 158  -0.599   1.484 -10.373
  576    HAC  HEC 158           HT4      HEC 158  -0.278  -0.196  -5.312
  577   1HBC  HEC 158          1HT       HEC 158  -0.349   2.358  -6.962
  578   2HBC  HEC 158          2HT       HEC 158  -1.425   1.877  -5.628
  579   3HBC  HEC 158          3HT       HEC 158   0.270   2.304  -5.294
  580   1HMD  HEC 158          1HM       HEC 158  -2.379  -4.353  -2.870
  581   2HMD  HEC 158          2HM       HEC 158  -0.640  -4.450  -3.234
  582   3HMD  HEC 158          3HM       HEC 158  -1.525  -2.934  -3.524
  583   1HAD  HEC 158          1HA       HEC 158  -3.028  -6.305  -3.355
  584   2HAD  HEC 158          2HA       HEC 158  -4.102  -6.954  -4.616
  585   1HBD  HEC 158          3HB       HEC 158  -1.945  -8.201  -5.404
  586   2HBD  HEC 158          4HB       HEC 158  -1.401  -7.887  -3.738
  Start of MODEL   23
    1    H    ALA   1           HN       ALA   1   4.658  -3.416  12.922
    2    HA   ALA   1           HA       ALA   1   4.381  -5.612  12.854
    3   1HB   ALA   1          1HB       ALA   1   3.878  -6.130  10.062
    4   2HB   ALA   1          2HB       ALA   1   2.742  -6.188  11.431
    5   3HB   ALA   1          3HB       ALA   1   2.999  -4.662  10.551
    6    H    ASP   2           HN       ASP   2   5.516  -5.350   9.442
    7    HA   ASP   2           HA       ASP   2   8.105  -5.370   9.571
    8   1HB   ASP   2          2HB       ASP   2   7.120  -7.893  10.820
    9   2HB   ASP   2          3HB       ASP   2   8.370  -8.126   9.615
   10    H    VAL   3           HN       VAL   3   6.579  -4.778   7.531
   11    HA   VAL   3           HA       VAL   3   6.078  -5.110   5.406
   12    HB   VAL   3           HB       VAL   3   7.899  -7.502   5.372
   13   1HG1  VAL   3          1HG       VAL   3   6.942  -5.447   3.410
   14   2HG1  VAL   3          2HG       VAL   3   8.552  -6.171   3.182
   15   3HG1  VAL   3          3HG       VAL   3   7.107  -7.210   3.230
   16   1HG2  VAL   3          1HG       VAL   3   9.703  -5.645   4.895
   17   2HG2  VAL   3          2HG       VAL   3   8.617  -4.629   5.873
   18   3HG2  VAL   3          3HG       VAL   3   9.309  -6.115   6.567
   19    H    VAL   4           HN       VAL   4   5.102  -6.764   3.776
   20    HA   VAL   4           HA       VAL   4   3.999  -9.125   4.958
   21    HB   VAL   4           HB       VAL   4   2.322  -6.665   4.511
   22   1HG1  VAL   4          1HG       VAL   4   0.791  -7.969   3.505
   23   2HG1  VAL   4          2HG       VAL   4   1.608  -9.472   3.997
   24   3HG1  VAL   4          3HG       VAL   4   0.510  -8.644   5.128
   25   1HG2  VAL   4          1HG       VAL   4   1.367  -7.558   6.754
   26   2HG2  VAL   4          2HG       VAL   4   2.847  -8.544   6.810
   27   3HG2  VAL   4          3HG       VAL   4   2.962  -6.769   6.755
   28    H    THR   5           HN       THR   5   5.483  -9.665   3.071
   29    HA   THR   5           HA       THR   5   5.167  -8.958   0.493
   30    HB   THR   5           HB       THR   5   5.639 -11.708   1.750
   31    HG1  THR   5           HG1      THR   5   7.218 -10.072   2.232
   32   1HG2  THR   5          1HG       THR   5   6.826 -11.006  -0.900
   33   2HG2  THR   5          2HG       THR   5   6.216 -12.572  -0.316
   34   3HG2  THR   5          3HG       THR   5   5.080 -11.348  -0.933
   35    H    TYR   6           HN       TYR   6   3.943  -9.579  -1.327
   36    HA   TYR   6           HA       TYR   6   1.521 -11.105  -0.765
   37   1HB   TYR   6          2HB       TYR   6   1.827  -8.200  -1.087
   38   2HB   TYR   6          3HB       TYR   6   0.927  -8.820  -2.455
   39    HD1  TYR   6           HD1      TYR   6   0.979  -9.077   1.290
   40    HD2  TYR   6           HD2      TYR   6  -1.384  -9.000  -2.276
   41    HE1  TYR   6           HE1      TYR   6  -1.145  -9.103   2.688
   42    HE2  TYR   6           HE2      TYR   6  -3.500  -9.025  -0.866
   43    HH   TYR   6           HH       TYR   6  -3.425  -9.708   2.482
   44    H    GLU   7           HN       GLU   7   2.560 -12.746  -2.083
   45    HA   GLU   7           HA       GLU   7   3.640 -12.293  -4.545
   46   1HB   GLU   7          2HB       GLU   7   2.183 -14.693  -3.382
   47   2HB   GLU   7          3HB       GLU   7   2.906 -14.746  -4.977
   48   1HG   GLU   7          2HG       GLU   7   5.114 -14.434  -4.128
   49   2HG   GLU   7          3HG       GLU   7   4.540 -13.803  -2.599
   50    H    ASN   8           HN       ASN   8   2.851 -12.196  -6.686
   51    HA   ASN   8           HA       ASN   8  -0.046 -12.247  -6.922
   52   1HB   ASN   8          2HB       ASN   8   1.884 -10.044  -7.691
   53   2HB   ASN   8          3HB       ASN   8   0.500 -10.315  -8.732
   54   1HD2  ASN   8          1HD       ASN   8   1.511  -9.699  -5.407
   55   2HD2  ASN   8          2HD       ASN   8   0.073  -8.896  -4.871
   56    H    LYS   9           HN       LYS   9  -0.376 -11.877  -9.622
   57    HA   LYS   9           HA       LYS   9   1.268 -14.013 -10.760
   58   1HB   LYS   9          2HB       LYS   9  -1.114 -14.463 -10.729
   59   2HB   LYS   9          3HB       LYS   9  -1.461 -12.938 -11.522
   60   1HG   LYS   9          2HG       LYS   9  -0.810 -13.704 -13.600
   61   2HG   LYS   9          3HG       LYS   9   0.505 -14.667 -12.955
   62   1HD   LYS   9          2HD       LYS   9  -1.597 -16.070 -11.929
   63   2HD   LYS   9          3HD       LYS   9  -2.376 -15.406 -13.351
   64   1HE   LYS   9          2HE       LYS   9  -1.437 -17.128 -14.508
   65   2HE   LYS   9          3HE       LYS   9   0.082 -16.265 -14.363
   66   1HZ   LYS   9          1HZ       LYS   9   0.509 -17.445 -12.329
   67   2HZ   LYS   9          2HZ       LYS   9  -0.926 -18.219 -12.414
   68   3HZ   LYS   9          3HZ       LYS   9   0.227 -18.513 -13.532
   69    H    LYS  10           HN       LYS  10   0.483 -10.580 -10.937
   70    HA   LYS  10           HA       LYS  10   2.288 -10.398 -13.248
   71   1HB   LYS  10          2HB       LYS  10  -0.429  -9.655 -13.138
   72   2HB   LYS  10          3HB       LYS  10   0.468  -8.154 -13.048
   73   1HG   LYS  10          2HG       LYS  10   0.973 -10.325 -15.137
   74   2HG   LYS  10          3HG       LYS  10  -0.025  -8.911 -15.413
   75   1HD   LYS  10          2HD       LYS  10   1.846  -7.789 -16.026
   76   2HD   LYS  10          3HD       LYS  10   2.380  -7.865 -14.359
   77   1HE   LYS  10          2HE       LYS  10   4.077  -9.244 -14.954
   78   2HE   LYS  10          3HE       LYS  10   2.924 -10.435 -15.521
   79   1HZ   LYS  10          1HZ       LYS  10   4.502  -9.583 -17.210
   80   2HZ   LYS  10          2HZ       LYS  10   2.932  -9.464 -17.642
   81   3HZ   LYS  10          3HZ       LYS  10   3.747  -8.137 -17.149
   82    H    GLY  11           HN       GLY  11   3.857 -10.420 -11.322
   83   1HA   GLY  11          1HA       GLY  11   5.454  -9.136 -10.337
   84   2HA   GLY  11          2HA       GLY  11   4.570  -7.685 -10.765
   85    H    ASN  12           HN       ASN  12   5.677  -9.385  -8.164
   86    HA   ASN  12           HA       ASN  12   3.417  -9.460  -6.521
   87   1HB   ASN  12          2HB       ASN  12   5.257  -9.502  -4.663
   88   2HB   ASN  12          3HB       ASN  12   5.257 -10.814  -5.824
   89   1HD2  ASN  12          1HD       ASN  12   7.471 -11.091  -5.230
   90   2HD2  ASN  12          2HD       ASN  12   8.718 -10.132  -5.952
   91    H    VAL  13           HN       VAL  13   2.987  -7.994  -4.632
   92    HA   VAL  13           HA       VAL  13   4.130  -5.315  -5.029
   93    HB   VAL  13           HB       VAL  13   1.920  -5.235  -5.849
   94   1HG1  VAL  13          1HG       VAL  13   0.035  -5.922  -4.088
   95   2HG1  VAL  13          2HG       VAL  13   0.737  -7.093  -5.231
   96   3HG1  VAL  13          3HG       VAL  13   1.310  -7.039  -3.547
   97   1HG2  VAL  13          1HG       VAL  13   1.081  -3.482  -4.615
   98   2HG2  VAL  13          2HG       VAL  13   1.396  -4.281  -3.056
   99   3HG2  VAL  13          3HG       VAL  13   2.740  -3.557  -3.972
  100    H    THR  14           HN       THR  14   5.488  -7.070  -3.417
  101    HA   THR  14           HA       THR  14   4.728  -7.473  -0.847
  102    HB   THR  14           HB       THR  14   7.349  -6.837  -2.232
  103    HG1  THR  14           HG1      THR  14   6.180  -8.946  -2.272
  104   1HG2  THR  14          1HG       THR  14   6.836  -6.633   0.670
  105   2HG2  THR  14          2HG       THR  14   7.987  -7.933   0.280
  106   3HG2  THR  14          3HG       THR  14   8.322  -6.263  -0.235
  107    H    PHE  15           HN       PHE  15   3.372  -5.989   0.114
  108    HA   PHE  15           HA       PHE  15   3.724  -3.255   0.075
  109   1HB   PHE  15          2HB       PHE  15   2.616  -5.174   2.213
  110   2HB   PHE  15          3HB       PHE  15   2.303  -3.450   2.213
  111    HD1  PHE  15           HD1      PHE  15   1.445  -2.622  -0.264
  112    HD2  PHE  15           HD2      PHE  15   0.886  -6.468   1.440
  113    HE1  PHE  15           HE1      PHE  15  -0.556  -2.985  -1.736
  114    HE2  PHE  15           HE2      PHE  15  -1.113  -6.831  -0.032
  115    HZ   PHE  15           HZ       PHE  15  -1.811  -5.085  -1.603
  116    H    ASP  16           HN       ASP  16   3.766  -2.311   2.704
  117    HA   ASP  16           HA       ASP  16   6.245  -3.282   3.820
  118   1HB   ASP  16          2HB       ASP  16   5.728  -0.444   2.847
  119   2HB   ASP  16          3HB       ASP  16   6.924  -0.773   4.085
  120    H    HIS  17           HN       HIS  17   6.037  -3.299   6.080
  121    HA   HIS  17           HA       HIS  17   3.792  -1.764   7.162
  122   1HB   HIS  17          2HB       HIS  17   4.683  -4.502   7.502
  123   2HB   HIS  17          3HB       HIS  17   4.630  -3.680   9.048
  124    HD1  HIS  17           HD1      HIS  17   2.626  -5.907   8.601
  125    HD2  HIS  17           HD2      HIS  17   1.842  -1.911   7.593
  126    HE1  HIS  17           HE1      HIS  17   0.087  -5.669   8.543
  127    H    LYS  18           HN       LYS  18   7.066  -3.037   8.120
  128    HA   LYS  18           HA       LYS  18   7.345  -1.113  10.173
  129   1HB   LYS  18          2HB       LYS  18   8.468  -3.467   9.783
  130   2HB   LYS  18          3HB       LYS  18   9.676  -2.534   8.923
  131   1HG   LYS  18          2HG       LYS  18  10.252  -1.257  10.859
  132   2HG   LYS  18          3HG       LYS  18   8.767  -1.674  11.691
  133   1HD   LYS  18          2HD       LYS  18   9.536  -4.072  11.811
  134   2HD   LYS  18          3HD       LYS  18  11.040  -3.610  11.037
  135   1HE   LYS  18          2HE       LYS  18  11.193  -1.831  13.005
  136   2HE   LYS  18          3HE       LYS  18  10.036  -2.879  13.801
  137   1HZ   LYS  18          1HZ       LYS  18  12.639  -3.257  13.887
  138   2HZ   LYS  18          2HZ       LYS  18  11.562  -4.474  14.048
  139   3HZ   LYS  18          3HZ       LYS  18  12.287  -4.210  12.609
  140    H    ALA  19           HN       ALA  19   8.756  -1.435   6.845
  141    HA   ALA  19           HA       ALA  19  10.245   0.889   6.896
  142   1HB   ALA  19          1HB       ALA  19  10.051  -1.084   5.174
  143   2HB   ALA  19          2HB       ALA  19   8.813  -0.056   4.413
  144   3HB   ALA  19          3HB       ALA  19  10.479   0.543   4.595
  145    H    HIS  20           HN       HIS  20   6.765   0.335   6.162
  146    HA   HIS  20           HA       HIS  20   6.334   3.024   5.378
  147   1HB   HIS  20          2HB       HIS  20   4.643   0.613   5.903
  148   2HB   HIS  20          3HB       HIS  20   3.861   2.181   5.894
  149    HD1  HIS  20           HD1      HIS  20   3.204   0.087   3.714
  150    HD2  HIS  20           HD2      HIS  20   6.107   3.085   3.293
  151    HE1  HIS  20           HE1      HIS  20   3.513   0.436   1.205
  152    H    ALA  21           HN       ALA  21   5.139   1.152   8.263
  153    HA   ALA  21           HA       ALA  21   4.104   3.130   9.727
  154   1HB   ALA  21          1HB       ALA  21   4.089   0.854  10.496
  155   2HB   ALA  21          2HB       ALA  21   5.866   0.810  10.595
  156   3HB   ALA  21          3HB       ALA  21   4.936   1.813  11.734
  157    H    GLU  22           HN       GLU  22   7.621   2.387   9.369
  158    HA   GLU  22           HA       GLU  22   8.734   3.934  11.190
  159   1HB   GLU  22          2HB       GLU  22   9.479   3.592   8.264
  160   2HB   GLU  22          3HB       GLU  22  10.508   4.484   9.367
  161   1HG   GLU  22          2HG       GLU  22   9.652   1.911  10.519
  162   2HG   GLU  22          3HG       GLU  22  10.483   1.692   8.991
  163    H    LYS  23           HN       LYS  23   7.675   5.182   7.937
  164    HA   LYS  23           HA       LYS  23   7.953   7.890   8.941
  165   1HB   LYS  23          2HB       LYS  23   7.457   6.687   6.214
  166   2HB   LYS  23          3HB       LYS  23   7.273   8.404   6.511
  167   1HG   LYS  23          2HG       LYS  23   9.808   6.903   7.288
  168   2HG   LYS  23          3HG       LYS  23   9.593   7.587   5.689
  169   1HD   LYS  23          2HD       LYS  23   9.627   9.803   6.472
  170   2HD   LYS  23          3HD       LYS  23   9.068   9.363   8.073
  171   1HE   LYS  23          2HE       LYS  23  11.194   8.791   8.822
  172   2HE   LYS  23          3HE       LYS  23  11.721   8.230   7.247
  173   1HZ   LYS  23          1HZ       LYS  23  11.448  11.016   8.124
  174   2HZ   LYS  23          2HZ       LYS  23  12.816  10.238   7.692
  175   3HZ   LYS  23          3HZ       LYS  23  11.693  10.600   6.564
  176    H    LEU  24           HN       LEU  24   5.444   5.560   7.824
  177    HA   LEU  24           HA       LEU  24   3.319   7.396   8.007
  178   1HB   LEU  24          2HB       LEU  24   3.494   4.389   7.963
  179   2HB   LEU  24          3HB       LEU  24   1.963   5.231   8.098
  180    HG   LEU  24           HG       LEU  24   2.664   6.472   5.942
  181   1HD1  LEU  24          1HD       LEU  24   5.019   5.820   5.954
  182   2HD1  LEU  24          2HD       LEU  24   4.557   4.109   5.786
  183   3HD1  LEU  24          3HD       LEU  24   4.201   5.260   4.476
  184   1HD2  LEU  24          1HD       LEU  24   2.243   3.728   5.068
  185   2HD2  LEU  24          2HD       LEU  24   1.191   4.167   6.435
  186   3HD2  LEU  24          3HD       LEU  24   1.175   5.149   4.950
  187    H    GLY  25           HN       GLY  25   2.631   4.586   9.896
  188   1HA   GLY  25          1HA       GLY  25   3.279   4.706  12.367
  189   2HA   GLY  25          2HA       GLY  25   2.509   6.280  12.307
  190    H    CYS  26           HN       CYS  26   1.522   3.299  10.520
  191    HA   CYS  26           HA       CYS  26  -0.285   2.052  10.615
  192   1HB   CYS  26          2HB       CYS  26  -1.305   3.003  13.223
  193   2HB   CYS  26          3HB       CYS  26  -1.125   1.375  12.599
  194    H    ASP  27           HN       ASP  27  -1.245   5.002  12.533
  195    HA   ASP  27           HA       ASP  27  -3.711   5.331  11.640
  196   1HB   ASP  27          2HB       ASP  27  -1.529   7.189  12.466
  197   2HB   ASP  27          3HB       ASP  27  -2.835   7.956  11.584
  198    H    ALA  28           HN       ALA  28  -0.660   6.438  10.013
  199    HA   ALA  28           HA       ALA  28  -1.636   7.867   7.934
  200   1HB   ALA  28          1HB       ALA  28   0.522   7.764   7.288
  201   2HB   ALA  28          2HB       ALA  28   0.789   6.692   8.683
  202   3HB   ALA  28          3HB       ALA  28   0.450   5.998   7.080
  203    H    CYS  29           HN       CYS  29  -2.007   4.417   8.568
  204    HA   CYS  29           HA       CYS  29  -3.261   4.156   5.932
  205   1HB   CYS  29          2HB       CYS  29  -1.940   2.042   7.645
  206   2HB   CYS  29          3HB       CYS  29  -2.867   1.705   6.196
  207    H    HIS  30           HN       HIS  30  -3.319   2.591   9.228
  208    HA   HIS  30           HA       HIS  30  -6.140   2.170   8.976
  209   1HB   HIS  30          2HB       HIS  30  -4.483   1.717  11.457
  210   2HB   HIS  30          3HB       HIS  30  -5.962   0.913  10.970
  211    HD1  HIS  30           HD1      HIS  30  -5.779  -0.949   9.112
  212    HD2  HIS  30           HD2      HIS  30  -2.116   0.675  10.350
  213    HE1  HIS  30           HE1      HIS  30  -3.970  -2.516   8.231
  214    H    GLU  31           HN       GLU  31  -6.990   2.600  11.666
  215    HA   GLU  31           HA       GLU  31  -6.355   5.045  12.698
  216   1HB   GLU  31          2HB       GLU  31  -7.731   5.395  10.260
  217   2HB   GLU  31          3HB       GLU  31  -8.952   5.664  11.488
  218   1HG   GLU  31          2HG       GLU  31  -6.707   7.024  12.496
  219   2HG   GLU  31          3HG       GLU  31  -6.624   7.326  10.772
  220    H    GLY  32           HN       GLY  32  -6.678   3.768  14.592
  221   1HA   GLY  32          1HA       GLY  32  -8.008   3.407  16.428
  222   2HA   GLY  32          2HA       GLY  32  -9.448   3.656  15.462
  223    H    THR  33           HN       THR  33  -6.792   1.330  16.176
  224    HA   THR  33           HA       THR  33  -6.800  -0.896  16.282
  225    HB   THR  33           HB       THR  33  -9.799  -0.816  15.695
  226    HG1  THR  33           HG1      THR  33  -8.308  -0.599  18.210
  227   1HG2  THR  33          1HG       THR  33  -8.264  -2.551  17.674
  228   2HG2  THR  33          2HG       THR  33  -9.893  -2.817  17.007
  229   3HG2  THR  33          3HG       THR  33  -8.460  -3.056  15.979
  230    HA   PRO  34           HA       PRO  34  -6.309  -1.358  11.952
  231   1HB   PRO  34          2HB       PRO  34  -4.076  -2.930  12.072
  232   2HB   PRO  34          3HB       PRO  34  -4.015  -1.179  12.037
  233   1HG   PRO  34          2HG       PRO  34  -3.578  -3.003  14.321
  234   2HG   PRO  34          3HG       PRO  34  -3.115  -1.321  14.156
  235   1HD   PRO  34          2HD       PRO  34  -5.320  -2.353  15.673
  236   2HD   PRO  34          3HD       PRO  34  -4.926  -0.666  15.412
  237    H    ALA  35           HN       ALA  35  -5.763  -3.434  10.507
  238    HA   ALA  35           HA       ALA  35  -6.413  -5.917  11.437
  239   1HB   ALA  35          1HB       ALA  35  -8.943  -5.338  10.186
  240   2HB   ALA  35          2HB       ALA  35  -8.624  -5.959  11.823
  241   3HB   ALA  35          3HB       ALA  35  -8.692  -4.204  11.534
  242    H    LYS  36           HN       LYS  36  -6.936  -7.440   9.604
  243    HA   LYS  36           HA       LYS  36  -5.374  -6.850   7.398
  244   1HB   LYS  36          2HB       LYS  36  -5.922  -8.969   6.647
  245   2HB   LYS  36          3HB       LYS  36  -6.177  -9.110   8.375
  246   1HG   LYS  36          2HG       LYS  36  -8.171 -10.031   7.600
  247   2HG   LYS  36          3HG       LYS  36  -8.663  -8.359   7.780
  248   1HD   LYS  36          2HD       LYS  36  -9.381  -8.666   5.607
  249   2HD   LYS  36          3HD       LYS  36  -7.731  -8.199   5.249
  250   1HE   LYS  36          2HE       LYS  36  -8.217 -10.217   3.983
  251   2HE   LYS  36          3HE       LYS  36  -7.079 -10.645   5.245
  252   1HZ   LYS  36          1HZ       LYS  36  -8.566 -11.978   6.156
  253   2HZ   LYS  36          2HZ       LYS  36  -9.765 -10.869   6.116
  254   3HZ   LYS  36          3HZ       LYS  36  -9.476 -11.808   4.811
  255    H    ILE  37           HN       ILE  37  -5.710  -5.226   5.974
  256    HA   ILE  37           HA       ILE  37  -8.352  -4.269   5.472
  257    HB   ILE  37           HB       ILE  37  -5.683  -3.601   4.225
  258   1HG1  ILE  37          2HG       ILE  37  -7.133  -1.799   6.119
  259   2HG1  ILE  37          3HG       ILE  37  -6.297  -3.187   6.787
  260   1HG2  ILE  37          1HG       ILE  37  -6.678  -1.740   3.184
  261   2HG2  ILE  37          2HG       ILE  37  -7.759  -3.109   2.832
  262   3HG2  ILE  37          3HG       ILE  37  -8.196  -1.932   4.094
  263   1HD1  ILE  37          1HD       ILE  37  -5.065  -0.814   6.322
  264   2HD1  ILE  37          2HD       ILE  37  -4.206  -2.371   6.251
  265   3HD1  ILE  37          3HD       ILE  37  -4.776  -1.601   4.751
  266    H    ALA  38           HN       ALA  38  -9.519  -4.346   3.475
  267    HA   ALA  38           HA       ALA  38  -9.158  -6.849   2.121
  268   1HB   ALA  38          1HB       ALA  38 -11.329  -5.423   2.825
  269   2HB   ALA  38          2HB       ALA  38 -11.110  -4.789   1.176
  270   3HB   ALA  38          3HB       ALA  38 -11.328  -6.535   1.437
  271    H    ILE  39           HN       ILE  39  -6.966  -6.390   1.258
  272    HA   ILE  39           HA       ILE  39  -6.995  -4.443  -0.925
  273    HB   ILE  39           HB       ILE  39  -4.811  -5.768   0.661
  274   1HG1  ILE  39          2HG       ILE  39  -5.872  -3.757   1.606
  275   2HG1  ILE  39          3HG       ILE  39  -4.182  -3.502   1.216
  276   1HG2  ILE  39          1HG       ILE  39  -3.469  -4.110  -1.036
  277   2HG2  ILE  39          2HG       ILE  39  -3.612  -5.873  -1.232
  278   3HG2  ILE  39          3HG       ILE  39  -4.713  -4.787  -2.114
  279   1HD1  ILE  39          1HD       ILE  39  -6.581  -2.206   0.090
  280   2HD1  ILE  39          2HD       ILE  39  -4.889  -1.654   0.092
  281   3HD1  ILE  39          3HD       ILE  39  -5.454  -2.786  -1.160
  282    H    ASP  40           HN       ASP  40  -7.044  -5.076  -3.029
  283    HA   ASP  40           HA       ASP  40  -5.972  -7.517  -3.857
  284   1HB   ASP  40          2HB       ASP  40  -8.547  -7.777  -2.783
  285   2HB   ASP  40          3HB       ASP  40  -8.860  -7.620  -4.501
  286    H    LYS  41           HN       LYS  41  -8.692  -5.167  -4.461
  287    HA   LYS  41           HA       LYS  41  -7.481  -3.852  -6.553
  288   1HB   LYS  41          2HB       LYS  41  -8.460  -6.442  -7.356
  289   2HB   LYS  41          3HB       LYS  41  -9.395  -5.195  -8.157
  290   1HG   LYS  41          2HG       LYS  41  -7.502  -4.262  -9.223
  291   2HG   LYS  41          3HG       LYS  41  -6.383  -4.915  -8.042
  292   1HD   LYS  41          2HD       LYS  41  -5.979  -6.588  -9.526
  293   2HD   LYS  41          3HD       LYS  41  -7.560  -7.220  -9.105
  294   1HE   LYS  41          2HE       LYS  41  -8.241  -5.253 -10.933
  295   2HE   LYS  41          3HE       LYS  41  -6.692  -5.778 -11.564
  296   1HZ   LYS  41          1HZ       LYS  41  -8.572  -7.068 -12.392
  297   2HZ   LYS  41          2HZ       LYS  41  -7.484  -8.007 -11.615
  298   3HZ   LYS  41          3HZ       LYS  41  -8.889  -7.608 -10.883
  299    H    LYS  42           HN       LYS  42  -8.404  -2.090  -5.477
  300    HA   LYS  42           HA       LYS  42 -10.785  -1.145  -6.338
  301   1HB   LYS  42          2HB       LYS  42 -11.238  -3.225  -4.384
  302   2HB   LYS  42          3HB       LYS  42 -11.806  -1.691  -3.757
  303   1HG   LYS  42          2HG       LYS  42 -13.367  -1.391  -5.492
  304   2HG   LYS  42          3HG       LYS  42 -12.471  -2.391  -6.618
  305   1HD   LYS  42          2HD       LYS  42 -13.020  -4.354  -4.937
  306   2HD   LYS  42          3HD       LYS  42 -14.253  -3.270  -4.324
  307   1HE   LYS  42          2HE       LYS  42 -14.864  -3.011  -6.921
  308   2HE   LYS  42          3HE       LYS  42 -14.041  -4.553  -7.053
  309   1HZ   LYS  42          1HZ       LYS  42 -15.906  -5.452  -6.346
  310   2HZ   LYS  42          2HZ       LYS  42 -15.675  -4.774  -4.877
  311   3HZ   LYS  42          3HZ       LYS  42 -16.583  -4.007  -5.998
  312    H    SER  43           HN       SER  43  -8.617  -1.546  -3.504
  313    HA   SER  43           HA       SER  43  -8.811   1.345  -3.165
  314   1HB   SER  43          2HB       SER  43  -9.082  -0.792  -1.260
  315   2HB   SER  43          3HB       SER  43  -7.605   0.067  -0.872
  316    HG   SER  43           HG       SER  43  -9.222   2.046  -1.298
  317    H    ALA  44           HN       ALA  44  -6.637  -1.552  -2.965
  318    HA   ALA  44           HA       ALA  44  -4.249  -0.230  -2.603
  319   1HB   ALA  44          1HB       ALA  44  -5.185  -2.859  -3.171
  320   2HB   ALA  44          2HB       ALA  44  -3.912  -2.493  -4.362
  321   3HB   ALA  44          3HB       ALA  44  -3.565  -2.368  -2.620
  322    H    HIS  45           HN       HIS  45  -6.436  -0.106  -5.274
  323    HA   HIS  45           HA       HIS  45  -4.327   0.603  -7.135
  324   1HB   HIS  45          2HB       HIS  45  -7.189  -0.186  -7.329
  325   2HB   HIS  45          3HB       HIS  45  -6.606   0.937  -8.543
  326    HD1  HIS  45           HD1      HIS  45  -6.920  -0.977 -10.343
  327    HD2  HIS  45           HD2      HIS  45  -4.038  -1.762  -7.398
  328    HE1  HIS  45           HE1      HIS  45  -5.544  -2.949 -11.198
  329    H    LYS  46           HN       LYS  46  -7.172   2.002  -5.420
  330    HA   LYS  46           HA       LYS  46  -5.943   4.605  -5.671
  331   1HB   LYS  46          2HB       LYS  46  -8.651   3.987  -6.881
  332   2HB   LYS  46          3HB       LYS  46  -8.092   5.608  -6.524
  333   1HG   LYS  46          2HG       LYS  46  -7.343   5.461  -8.710
  334   2HG   LYS  46          3HG       LYS  46  -5.933   4.797  -7.909
  335   1HD   LYS  46          2HD       LYS  46  -6.200   2.910  -9.136
  336   2HD   LYS  46          3HD       LYS  46  -7.660   2.581  -8.224
  337   1HE   LYS  46          2HE       LYS  46  -8.612   4.435 -10.025
  338   2HE   LYS  46          3HE       LYS  46  -7.357   3.678 -10.986
  339   1HZ   LYS  46          1HZ       LYS  46  -9.034   1.872  -9.509
  340   2HZ   LYS  46          2HZ       LYS  46  -9.779   2.685 -10.713
  341   3HZ   LYS  46          3HZ       LYS  46  -8.474   1.760 -11.039
  342    H    ASP  47           HN       ASP  47  -7.335   6.255  -4.361
  343    HA   ASP  47           HA       ASP  47  -7.944   6.796  -2.339
  344   1HB   ASP  47          2HB       ASP  47 -10.074   5.680  -3.553
  345   2HB   ASP  47          3HB       ASP  47  -9.922   4.518  -2.251
  346    H    ALA  48           HN       ALA  48  -5.765   4.848  -2.436
  347    HA   ALA  48           HA       ALA  48  -5.792   3.974   0.250
  348   1HB   ALA  48          1HB       ALA  48  -6.407   1.807   0.101
  349   2HB   ALA  48          2HB       ALA  48  -7.096   2.226  -1.486
  350   3HB   ALA  48          3HB       ALA  48  -5.451   1.557  -1.379
  351    H    CYS  49           HN       CYS  49  -4.455   3.433  -3.075
  352    HA   CYS  49           HA       CYS  49  -1.795   3.534  -1.859
  353   1HB   CYS  49          2HB       CYS  49  -2.811   2.242  -4.384
  354   2HB   CYS  49          3HB       CYS  49  -1.107   2.573  -4.143
  355    H    LYS  50           HN       LYS  50  -3.180   4.208  -5.155
  356    HA   LYS  50           HA       LYS  50  -1.512   6.121  -5.972
  357   1HB   LYS  50          2HB       LYS  50  -4.444   5.671  -6.400
  358   2HB   LYS  50          3HB       LYS  50  -3.722   7.133  -7.040
  359   1HG   LYS  50          2HG       LYS  50  -2.086   4.720  -7.559
  360   2HG   LYS  50          3HG       LYS  50  -3.684   4.625  -8.270
  361   1HD   LYS  50          2HD       LYS  50  -2.195   7.216  -8.611
  362   2HD   LYS  50          3HD       LYS  50  -1.605   5.838  -9.516
  363   1HE   LYS  50          2HE       LYS  50  -3.235   6.208 -11.048
  364   2HE   LYS  50          3HE       LYS  50  -4.422   5.757  -9.841
  365   1HZ   LYS  50          1HZ       LYS  50  -3.337   8.469 -10.161
  366   2HZ   LYS  50          2HZ       LYS  50  -4.780   7.968 -10.739
  367   3HZ   LYS  50          3HZ       LYS  50  -4.521   8.022  -9.128
  368    H    THR  51           HN       THR  51  -4.510   6.797  -4.029
  369    HA   THR  51           HA       THR  51  -4.296   9.467  -3.726
  370    HB   THR  51           HB       THR  51  -5.138   7.221  -1.849
  371    HG1  THR  51           HG1      THR  51  -6.253   8.012  -3.911
  372   1HG2  THR  51          1HG       THR  51  -4.509   9.193  -0.414
  373   2HG2  THR  51          2HG       THR  51  -5.526  10.233  -1.439
  374   3HG2  THR  51          3HG       THR  51  -6.270   8.943  -0.465
  375    H    CYS  52           HN       CYS  52  -2.988   7.328  -1.115
  376    HA   CYS  52           HA       CYS  52  -1.176   9.449  -0.422
  377   1HB   CYS  52          2HB       CYS  52  -2.242   8.354   1.394
  378   2HB   CYS  52          3HB       CYS  52  -1.810   6.765   0.797
  379    H    HIS  53           HN       HIS  53   0.609   9.642  -1.755
  380    HA   HIS  53           HA       HIS  53   2.686   7.981  -1.744
  381   1HB   HIS  53          2HB       HIS  53   0.587   6.817  -3.394
  382   2HB   HIS  53          3HB       HIS  53   2.050   7.088  -4.320
  383    HD1  HIS  53           HD1      HIS  53   2.583   4.554  -4.479
  384    HD2  HIS  53           HD2      HIS  53   2.374   6.011  -0.552
  385    HE1  HIS  53           HE1      HIS  53   3.541   2.721  -2.986
  386    H    LYS  54           HN       LYS  54   0.569  10.155  -3.551
  387    HA   LYS  54           HA       LYS  54   2.516  11.005  -5.416
  388   1HB   LYS  54          2HB       LYS  54  -0.067  12.261  -4.448
  389   2HB   LYS  54          3HB       LYS  54   0.905  12.901  -5.758
  390   1HG   LYS  54          2HG       LYS  54   0.738  10.544  -6.833
  391   2HG   LYS  54          3HG       LYS  54  -0.501  10.202  -5.641
  392   1HD   LYS  54          2HD       LYS  54  -1.817  12.177  -6.444
  393   2HD   LYS  54          3HD       LYS  54  -0.579  12.516  -7.637
  394   1HE   LYS  54          2HE       LYS  54  -0.959  10.158  -8.568
  395   2HE   LYS  54          3HE       LYS  54  -2.333  10.022  -7.488
  396   1HZ   LYS  54          1HZ       LYS  54  -3.238  10.833  -9.411
  397   2HZ   LYS  54          2HZ       LYS  54  -3.033  12.214  -8.562
  398   3HZ   LYS  54          3HZ       LYS  54  -1.985  11.824  -9.752
  399    H    SER  55           HN       SER  55   4.208  10.973  -3.507
  400    HA   SER  55           HA       SER  55   4.933  13.621  -3.128
  401   1HB   SER  55          2HB       SER  55   3.007  13.067  -1.315
  402   2HB   SER  55          3HB       SER  55   4.373  12.415  -0.432
  403    HG   SER  55           HG       SER  55   4.748  14.977  -1.596
  404    H    ASN  56           HN       ASN  56   5.057  10.238  -1.881
  405    HA   ASN  56           HA       ASN  56   7.935  10.582  -1.601
  406   1HB   ASN  56          2HB       ASN  56   5.900   9.218  -0.001
  407   2HB   ASN  56          3HB       ASN  56   7.108   8.059  -0.520
  408   1HD2  ASN  56          1HD       ASN  56   6.378  10.768   1.460
  409   2HD2  ASN  56          2HD       ASN  56   7.888  10.912   2.295
  410    H    ASN  57           HN       ASN  57   5.390   8.108  -2.459
  411    HA   ASN  57           HA       ASN  57   7.242   6.572  -3.934
  412   1HB   ASN  57          2HB       ASN  57   4.841   6.017  -2.769
  413   2HB   ASN  57          3HB       ASN  57   4.275   6.302  -4.403
  414   1HD2  ASN  57          1HD       ASN  57   6.811   4.595  -2.590
  415   2HD2  ASN  57          2HD       ASN  57   6.864   3.167  -3.569
  416    H    GLY  58           HN       GLY  58   5.320   5.946  -6.172
  417   1HA   GLY  58          1HA       GLY  58   4.686   8.298  -7.618
  418   2HA   GLY  58          2HA       GLY  58   6.240   7.677  -8.137
  419    HA   PRO  59           HA       PRO  59   2.940   4.389  -9.100
  420   1HB   PRO  59          2HB       PRO  59   0.302   5.075  -8.895
  421   2HB   PRO  59          3HB       PRO  59   1.170   4.215  -7.637
  422   1HG   PRO  59          2HG       PRO  59   0.341   7.052  -7.711
  423   2HG   PRO  59          3HG       PRO  59   0.815   6.082  -6.330
  424   1HD   PRO  59          2HD       PRO  59   2.407   8.060  -7.666
  425   2HD   PRO  59          3HD       PRO  59   2.918   7.009  -6.360
  426    H    THR  60           HN       THR  60   2.334   3.787 -11.160
  427    HA   THR  60           HA       THR  60   1.314   5.897 -12.858
  428    HB   THR  60           HB       THR  60   3.960   4.529 -13.546
  429    HG1  THR  60           HG1      THR  60   4.805   6.643 -12.790
  430   1HG2  THR  60          1HG       THR  60   2.536   7.056 -14.537
  431   2HG2  THR  60          2HG       THR  60   4.178   6.564 -15.018
  432   3HG2  THR  60          3HG       THR  60   2.780   5.560 -15.472
  433    H    LYS  61           HN       LYS  61  -0.179   3.835 -12.058
  434    HA   LYS  61           HA       LYS  61  -1.195   1.942 -12.649
  435   1HB   LYS  61          2HB       LYS  61  -1.591   1.986 -15.298
  436   2HB   LYS  61          3HB       LYS  61  -2.439   3.041 -14.185
  437   1HG   LYS  61          2HG       LYS  61  -0.613   4.780 -14.545
  438   2HG   LYS  61          3HG       LYS  61   0.075   3.737 -15.773
  439   1HD   LYS  61          2HD       LYS  61  -1.344   4.648 -17.285
  440   2HD   LYS  61          3HD       LYS  61  -2.681   3.909 -16.428
  441   1HE   LYS  61          2HE       LYS  61  -2.716   5.928 -14.874
  442   2HE   LYS  61          3HE       LYS  61  -1.499   6.674 -15.890
  443   1HZ   LYS  61          1HZ       LYS  61  -3.167   6.160 -17.746
  444   2HZ   LYS  61          2HZ       LYS  61  -4.265   6.045 -16.543
  445   3HZ   LYS  61          3HZ       LYS  61  -3.446   7.439 -16.769
  446    H    CYS  62           HN       CYS  62   0.030   0.171 -12.111
  447    HA   CYS  62           HA       CYS  62   1.060  -1.734 -12.613
  448   1HB   CYS  62          2HB       CYS  62   1.939  -0.687 -15.298
  449   2HB   CYS  62          3HB       CYS  62   1.802  -2.352 -14.769
  450    H    GLY  63           HN       GLY  63   2.923   0.873 -14.357
  451   1HA   GLY  63          1HA       GLY  63   5.439   0.108 -13.428
  452   2HA   GLY  63          2HA       GLY  63   4.994   1.685 -14.048
  453    H    GLY  64           HN       GLY  64   2.783   1.483 -11.694
  454   1HA   GLY  64          1HA       GLY  64   4.243   3.136  -9.887
  455   2HA   GLY  64          2HA       GLY  64   2.600   2.551  -9.713
  456    H    CYS  65           HN       CYS  65   2.481   0.002  -9.317
  457    HA   CYS  65           HA       CYS  65   4.717  -0.835  -7.655
  458   1HB   CYS  65          2HB       CYS  65   2.995  -1.650  -5.946
  459   2HB   CYS  65          3HB       CYS  65   3.450   0.042  -5.938
  460    H    HIS  66           HN       HIS  66   4.685  -1.933  -9.992
  461    HA   HIS  66           HA       HIS  66   3.743  -4.570  -9.572
  462   1HB   HIS  66          2HB       HIS  66   2.171  -2.730 -11.295
  463   2HB   HIS  66          3HB       HIS  66   2.499  -4.318 -11.961
  464    HD1  HIS  66           HD1      HIS  66   2.256  -6.019  -9.344
  465    HD2  HIS  66           HD2      HIS  66  -0.451  -3.039 -10.521
  466    HE1  HIS  66           HE1      HIS  66   0.052  -6.553  -8.174
  467    H    ILE  67           HN       ILE  67   5.848  -5.268  -9.904
  468    HA   ILE  67           HA       ILE  67   7.625  -4.256 -11.729
  469    HB   ILE  67           HB       ILE  67   7.516  -6.333  -9.875
  470   1HG1  ILE  67          2HG       ILE  67   9.984  -5.966 -11.500
  471   2HG1  ILE  67          3HG       ILE  67   9.326  -4.535 -10.730
  472   1HG2  ILE  67          1HG       ILE  67   8.598  -7.488 -12.443
  473   2HG2  ILE  67          2HG       ILE  67   8.280  -8.300 -10.891
  474   3HG2  ILE  67          3HG       ILE  67   6.922  -7.768 -11.910
  475   1HD1  ILE  67          1HD       ILE  67   9.943  -7.160  -9.297
  476   2HD1  ILE  67          2HD       ILE  67  10.960  -5.700  -9.258
  477   3HD1  ILE  67          3HD       ILE  67   9.336  -5.673  -8.530
  478    H    LYS  68           HN       LYS  68   8.546  -5.912 -13.584
  479    HA   LYS  68           HA       LYS  68   6.315  -6.914 -15.147
  480   1HB   LYS  68          2HB       LYS  68   6.968  -5.620 -17.135
  481   2HB   LYS  68          3HB       LYS  68   6.390  -4.596 -15.836
  482   1HG   LYS  68          2HG       LYS  68   8.980  -4.489 -15.181
  483   2HG   LYS  68          3HG       LYS  68   9.215  -4.954 -16.854
  484   1HD   LYS  68          2HD       LYS  68   8.018  -2.998 -17.660
  485   2HD   LYS  68          3HD       LYS  68   7.437  -2.610 -16.053
  486   1HE   LYS  68          2HE       LYS  68   9.233  -1.137 -16.167
  487   2HE   LYS  68          3HE       LYS  68  10.049  -2.522 -15.471
  488   1HZ   LYS  68          1HZ       LYS  68  10.130  -2.949 -18.149
  489   2HZ   LYS  68          2HZ       LYS  68  10.410  -1.346 -18.008
  490   3HZ   LYS  68          3HZ       LYS  68  11.363  -2.414 -17.221
  491    HHA  HEC  98           HGM      HEC  98  -3.560  -6.280   7.875
  492    HHB  HEC  98           HDM      HEC  98  -1.695  -3.561  13.176
  493    HHC  HEC  98           HAM      HEC  98   1.235   0.880   9.740
  494    HHD  HEC  98           HBM      HEC  98  -1.103  -1.711   4.579
  495   1HMA  HEC  98          1HM       HEC  98  -3.094  -5.438  13.701
  496   2HMA  HEC  98          2HM       HEC  98  -3.359  -7.061  13.023
  497   3HMA  HEC  98          3HM       HEC  98  -1.707  -6.502  13.372
  498   1HAA  HEC  98          1HA       HEC  98  -3.707  -8.096  11.141
  499   2HAA  HEC  98          2HA       HEC  98  -4.486  -7.428   9.687
  500   1HBA  HEC  98          3HB       HEC  98  -3.198  -8.968   8.533
  501   2HBA  HEC  98          4HB       HEC  98  -1.865  -7.820   8.802
  502   1HMB  HEC  98          1HM       HEC  98  -1.210  -0.381  14.546
  503   2HMB  HEC  98          2HM       HEC  98  -1.335  -2.155  14.492
  504   3HMB  HEC  98          3HM       HEC  98   0.233  -1.382  14.830
  505    HAB  HEC  98           HT2      HEC  98   1.465   1.421  11.671
  506   1HBB  HEC  98          1HT       HEC  98   2.496   0.148  14.122
  507   2HBB  HEC  98          2HT       HEC  98   2.996  -0.386  12.499
  508   3HBB  HEC  98          3HT       HEC  98   3.241   1.306  12.993
  509   1HMC  HEC  98          1HM       HEC  98   1.083   2.793   7.924
  510   2HMC  HEC  98          2HM       HEC  98   2.522   1.755   8.050
  511   3HMC  HEC  98          3HM       HEC  98   1.998   2.360   6.461
  512    HAC  HEC  98           HT4      HEC  98   0.188   2.042   4.796
  513   1HBC  HEC  98          1HT       HEC  98  -1.258  -0.148   3.410
  514   2HBC  HEC  98          2HT       HEC  98  -2.011   0.402   4.926
  515   3HBC  HEC  98          3HT       HEC  98  -1.696   1.564   3.616
  516   1HMD  HEC  98          1HM       HEC  98  -1.471  -3.604   2.928
  517   2HMD  HEC  98          2HM       HEC  98  -3.091  -4.342   2.909
  518   3HMD  HEC  98          3HM       HEC  98  -2.915  -2.588   3.157
  519   1HAD  HEC  98          1HA       HEC  98  -4.044  -6.667   5.607
  520   2HAD  HEC  98          2HA       HEC  98  -3.864  -5.916   4.004
  521   1HBD  HEC  98          3HB       HEC  98  -2.505  -7.652   3.620
  522   2HBD  HEC  98          4HB       HEC  98  -1.308  -6.677   4.506
  523    HHA  HEC 128           HGM      HEC 128   8.145   3.864  -0.071
  524    HHB  HEC 128           HDM      HEC 128   4.239  -0.205  -2.745
  525    HHC  HEC 128           HAM      HEC 128  -0.467   2.168   0.768
  526    HHD  HEC 128           HBM      HEC 128   3.479   6.451   2.982
  527   1HMA  HEC 128          1HM       HEC 128   7.257  -1.296  -2.235
  528   2HMA  HEC 128          2HM       HEC 128   6.227  -0.644  -3.532
  529   3HMA  HEC 128          3HM       HEC 128   7.940  -0.173  -3.435
  530   1HAA  HEC 128          1HA       HEC 128   9.326   2.053  -2.300
  531   2HAA  HEC 128          2HA       HEC 128   9.359   2.381  -0.551
  532   1HBA  HEC 128          3HB       HEC 128   9.788   0.125   0.002
  533   2HBA  HEC 128          4HB       HEC 128   8.994  -0.493  -1.466
  534   1HMB  HEC 128          1HM       HEC 128   0.907  -1.595  -3.000
  535   2HMB  HEC 128          2HM       HEC 128   1.357  -0.247  -4.071
  536   3HMB  HEC 128          3HM       HEC 128   2.622  -1.268  -3.347
  537    HAB  HEC 128           HT2      HEC 128  -1.358   0.935  -0.716
  538   1HBB  HEC 128          1HT       HEC 128  -1.659  -1.771  -0.494
  539   2HBB  HEC 128          2HT       HEC 128  -0.150  -1.382   0.364
  540   3HBB  HEC 128          3HT       HEC 128  -1.654  -0.527   0.778
  541   1HMC  HEC 128          1HM       HEC 128  -1.473   3.520   3.334
  542   2HMC  HEC 128          2HM       HEC 128  -1.860   4.977   2.390
  543   3HMC  HEC 128          3HM       HEC 128  -1.775   3.392   1.585
  544    HAC  HEC 128           HT4      HEC 128   1.443   6.957   3.756
  545   1HBC  HEC 128          1HT       HEC 128  -0.836   5.405   4.373
  546   2HBC  HEC 128          2HT       HEC 128  -0.291   6.893   5.186
  547   3HBC  HEC 128          3HT       HEC 128  -1.465   6.987   3.852
  548   1HMD  HEC 128          1HM       HEC 128   6.269   7.250   4.132
  549   2HMD  HEC 128          2HM       HEC 128   6.476   8.276   2.694
  550   3HMD  HEC 128          3HM       HEC 128   4.843   7.893   3.286
  551   1HAD  HEC 128          1HA       HEC 128   9.022   5.428   1.311
  552   2HAD  HEC 128          2HA       HEC 128   8.503   7.031   1.882
  553   1HBD  HEC 128          3HB       HEC 128   9.151   6.501   3.924
  554   2HBD  HEC 128          4HB       HEC 128   7.977   5.163   3.954
  555    HHA  HEC 158           HGM      HEC 158  -3.212  -7.363  -7.107
  556    HHB  HEC 158           HDM      HEC 158  -3.147  -6.059 -13.211
  557    HHC  HEC 158           HAM      HEC 158  -1.900  -0.014 -11.798
  558    HHD  HEC 158           HBM      HEC 158  -1.549  -1.596  -5.783
  559   1HMA  HEC 158          1HM       HEC 158  -3.953  -7.981 -13.077
  560   2HMA  HEC 158          2HM       HEC 158  -3.739  -9.398 -12.021
  561   3HMA  HEC 158          3HM       HEC 158  -5.309  -8.564 -12.082
  562   1HAA  HEC 158          1HA       HEC 158  -4.296  -8.783  -7.828
  563   2HAA  HEC 158          2HA       HEC 158  -5.348  -9.251  -9.186
  564   1HBA  HEC 158          3HB       HEC 158  -2.933  -9.970 -10.251
  565   2HBA  HEC 158          4HB       HEC 158  -2.548 -10.177  -8.527
  566   1HMB  HEC 158          1HM       HEC 158  -3.344  -4.773 -15.267
  567   2HMB  HEC 158          2HM       HEC 158  -2.227  -3.525 -15.867
  568   3HMB  HEC 158          3HM       HEC 158  -1.589  -4.975 -15.058
  569    HAB  HEC 158           HT2      HEC 158  -1.210  -0.534 -14.176
  570   1HBB  HEC 158          1HT       HEC 158  -3.335   0.668 -15.080
  571   2HBB  HEC 158          2HT       HEC 158  -4.069  -0.230 -13.731
  572   3HBB  HEC 158          3HT       HEC 158  -2.689   0.852 -13.432
  573   1HMC  HEC 158          1HM       HEC 158  -1.409   2.583  -9.325
  574   2HMC  HEC 158          2HM       HEC 158  -0.207   1.848 -10.411
  575   3HMC  HEC 158          3HM       HEC 158  -1.924   1.872 -10.873
  576    HAC  HEC 158           HT4      HEC 158  -1.193   0.881  -6.010
  577   1HBC  HEC 158          1HT       HEC 158   0.216   2.476  -8.193
  578   2HBC  HEC 158          2HT       HEC 158  -1.306   2.903  -7.377
  579   3HBC  HEC 158          3HT       HEC 158   0.221   2.891  -6.463
  580   1HMD  HEC 158          1HM       HEC 158  -2.306  -3.851  -3.080
  581   2HMD  HEC 158          2HM       HEC 158  -0.667  -3.469  -3.658
  582   3HMD  HEC 158          3HM       HEC 158  -1.976  -2.277  -3.843
  583   1HAD  HEC 158          1HA       HEC 158  -3.119  -5.662  -3.443
  584   2HAD  HEC 158          2HA       HEC 158  -4.005  -6.617  -4.655
  585   1HBD  HEC 158          3HB       HEC 158  -1.269  -7.218  -4.992
  586   2HBD  HEC 158          4HB       HEC 158  -1.602  -7.256  -3.243
  Start of MODEL   24
    1    H    ALA   1           HN       ALA   1   1.509  -8.254   9.624
    2    HA   ALA   1           HA       ALA   1   2.643  -6.406   9.153
    3   1HB   ALA   1          1HB       ALA   1   3.642  -6.471  12.027
    4   2HB   ALA   1          2HB       ALA   1   3.654  -5.075  10.923
    5   3HB   ALA   1          3HB       ALA   1   2.108  -5.735  11.507
    6    H    ASP   2           HN       ASP   2   5.268  -5.567   9.801
    7    HA   ASP   2           HA       ASP   2   7.371  -5.991   9.458
    8   1HB   ASP   2          2HB       ASP   2   6.558  -8.272  10.847
    9   2HB   ASP   2          3HB       ASP   2   7.280  -8.957   9.405
   10    H    VAL   3           HN       VAL   3   5.252  -6.022   7.325
   11    HA   VAL   3           HA       VAL   3   5.441  -6.060   5.079
   12    HB   VAL   3           HB       VAL   3   7.988  -6.753   5.735
   13   1HG1  VAL   3          1HG       VAL   3   7.190  -8.948   3.833
   14   2HG1  VAL   3          2HG       VAL   3   8.659  -8.787   4.826
   15   3HG1  VAL   3          3HG       VAL   3   7.108  -9.206   5.592
   16   1HG2  VAL   3          1HG       VAL   3   7.832  -5.355   3.932
   17   2HG2  VAL   3          2HG       VAL   3   8.206  -6.870   3.076
   18   3HG2  VAL   3          3HG       VAL   3   6.524  -6.294   3.172
   19    H    VAL   4           HN       VAL   4   4.345  -7.350   3.505
   20    HA   VAL   4           HA       VAL   4   3.798 -10.101   4.153
   21    HB   VAL   4           HB       VAL   4   1.659  -7.970   4.263
   22   1HG1  VAL   4          1HG       VAL   4   0.352  -9.501   3.245
   23   2HG1  VAL   4          2HG       VAL   4   1.498 -10.829   3.544
   24   3HG1  VAL   4          3HG       VAL   4   0.372 -10.320   4.825
   25   1HG2  VAL   4          1HG       VAL   4   2.656  -8.161   6.393
   26   2HG2  VAL   4          2HG       VAL   4   1.190  -9.168   6.481
   27   3HG2  VAL   4          3HG       VAL   4   2.785  -9.933   6.271
   28    H    THR   5           HN       THR   5   5.282  -9.416   2.076
   29    HA   THR   5           HA       THR   5   4.239  -8.425  -0.219
   30    HB   THR   5           HB       THR   5   6.152 -10.729   0.368
   31    HG1  THR   5           HG1      THR   5   7.247  -8.823   0.676
   32   1HG2  THR   5          1HG       THR   5   5.398  -9.452  -2.308
   33   2HG2  THR   5          2HG       THR   5   6.951 -10.276  -2.034
   34   3HG2  THR   5          3HG       THR   5   5.428 -11.188  -1.913
   35    H    TYR   6           HN       TYR   6   3.414  -9.467  -2.209
   36    HA   TYR   6           HA       TYR   6   1.755 -11.809  -1.621
   37   1HB   TYR   6          2HB       TYR   6   1.064  -8.987  -2.537
   38   2HB   TYR   6          3HB       TYR   6   0.125 -10.300  -3.218
   39    HD1  TYR   6           HD1      TYR   6  -0.836 -12.022  -1.408
   40    HD2  TYR   6           HD2      TYR   6   0.300  -7.980  -0.587
   41    HE1  TYR   6           HE1      TYR   6  -2.327 -12.014   0.651
   42    HE2  TYR   6           HE2      TYR   6  -1.196  -7.985   1.469
   43    HH   TYR   6           HH       TYR   6  -2.226 -10.589   2.940
   44    H    GLU   7           HN       GLU   7   2.531 -13.328  -3.010
   45    HA   GLU   7           HA       GLU   7   3.888 -12.676  -5.338
   46   1HB   GLU   7          2HB       GLU   7   2.754 -15.177  -4.122
   47   2HB   GLU   7          3HB       GLU   7   3.184 -15.242  -5.820
   48   1HG   GLU   7          2HG       GLU   7   5.407 -13.980  -4.808
   49   2HG   GLU   7          3HG       GLU   7   4.948 -14.952  -3.423
   50    H    ASN   8           HN       ASN   8   3.274 -12.611  -7.536
   51    HA   ASN   8           HA       ASN   8   0.516 -13.168  -8.136
   52   1HB   ASN   8          2HB       ASN   8   1.817 -10.422  -8.363
   53   2HB   ASN   8          3HB       ASN   8   0.520 -10.868  -9.454
   54   1HD2  ASN   8          1HD       ASN   8   1.268  -9.460  -6.569
   55   2HD2  ASN   8          2HD       ASN   8  -0.255  -9.549  -5.748
   56    H    LYS   9           HN       LYS   9   0.379 -12.299 -10.760
   57    HA   LYS   9           HA       LYS   9   2.764 -13.504 -11.980
   58   1HB   LYS   9          2HB       LYS   9   1.246 -14.206 -13.811
   59   2HB   LYS   9          3HB       LYS   9   0.863 -14.944 -12.269
   60   1HG   LYS   9          2HG       LYS   9  -1.208 -14.005 -12.232
   61   2HG   LYS   9          3HG       LYS   9  -0.566 -12.407 -12.558
   62   1HD   LYS   9          2HD       LYS   9  -0.905 -12.576 -14.841
   63   2HD   LYS   9          3HD       LYS   9  -0.542 -14.290 -14.881
   64   1HE   LYS   9          2HE       LYS   9  -3.112 -13.140 -13.697
   65   2HE   LYS   9          3HE       LYS   9  -2.979 -13.707 -15.350
   66   1HZ   LYS   9          1HZ       LYS   9  -1.957 -15.730 -13.883
   67   2HZ   LYS   9          2HZ       LYS   9  -3.204 -15.212 -12.963
   68   3HZ   LYS   9          3HZ       LYS   9  -3.466 -15.674 -14.507
   69    H    LYS  10           HN       LYS  10   1.283 -10.591 -11.324
   70    HA   LYS  10           HA       LYS  10   2.489  -9.420 -13.721
   71   1HB   LYS  10          2HB       LYS  10  -0.142  -9.652 -13.688
   72   2HB   LYS  10          3HB       LYS  10  -0.053  -8.262 -12.625
   73   1HG   LYS  10          2HG       LYS  10  -0.002  -7.043 -14.559
   74   2HG   LYS  10          3HG       LYS  10   1.694  -7.482 -14.607
   75   1HD   LYS  10          2HD       LYS  10   0.037  -9.636 -15.707
   76   2HD   LYS  10          3HD       LYS  10  -0.292  -8.124 -16.528
   77   1HE   LYS  10          2HE       LYS  10   2.590  -8.894 -16.028
   78   2HE   LYS  10          3HE       LYS  10   1.719  -9.709 -17.312
   79   1HZ   LYS  10          1HZ       LYS  10   2.782  -7.140 -17.319
   80   2HZ   LYS  10          2HZ       LYS  10   2.052  -7.935 -18.544
   81   3HZ   LYS  10          3HZ       LYS  10   1.167  -7.013 -17.527
   82    H    GLY  11           HN       GLY  11   4.293  -9.288 -12.086
   83   1HA   GLY  11          1HA       GLY  11   5.584  -7.924 -10.838
   84   2HA   GLY  11          2HA       GLY  11   4.362  -6.675 -10.969
   85    H    ASN  12           HN       ASN  12   5.703  -9.238  -8.988
   86    HA   ASN  12           HA       ASN  12   3.653  -9.680  -7.243
   87   1HB   ASN  12          2HB       ASN  12   6.654  -9.498  -6.643
   88   2HB   ASN  12          3HB       ASN  12   5.477 -10.270  -5.597
   89   1HD2  ASN  12          1HD       ASN  12   6.611 -12.215  -5.782
   90   2HD2  ASN  12          2HD       ASN  12   6.488 -13.236  -7.176
   91    H    VAL  13           HN       VAL  13   2.615  -8.294  -5.797
   92    HA   VAL  13           HA       VAL  13   3.722  -5.664  -5.395
   93    HB   VAL  13           HB       VAL  13   1.353  -6.022  -5.903
   94   1HG1  VAL  13          1HG       VAL  13   0.730  -7.023  -3.173
   95   2HG1  VAL  13          2HG       VAL  13  -0.069  -7.349  -4.730
   96   3HG1  VAL  13          3HG       VAL  13   1.438  -8.197  -4.309
   97   1HG2  VAL  13          1HG       VAL  13   2.126  -4.043  -4.591
   98   2HG2  VAL  13          2HG       VAL  13   0.439  -4.505  -4.260
   99   3HG2  VAL  13          3HG       VAL  13   1.720  -4.923  -3.097
  100    H    THR  14           HN       THR  14   5.619  -6.018  -4.152
  101    HA   THR  14           HA       THR  14   5.468  -7.542  -1.727
  102    HB   THR  14           HB       THR  14   7.538  -5.818  -3.152
  103    HG1  THR  14           HG1      THR  14   7.043  -8.061  -3.798
  104   1HG2  THR  14          1HG       THR  14   9.052  -5.999  -1.399
  105   2HG2  THR  14          2HG       THR  14   7.569  -5.945  -0.416
  106   3HG2  THR  14          3HG       THR  14   8.325  -7.510  -0.802
  107    H    PHE  15           HN       PHE  15   3.695  -6.580  -0.598
  108    HA   PHE  15           HA       PHE  15   3.393  -3.930  -0.045
  109   1HB   PHE  15          2HB       PHE  15   2.830  -6.587   1.297
  110   2HB   PHE  15          3HB       PHE  15   2.599  -5.161   2.289
  111    HD1  PHE  15           HD1      PHE  15   0.417  -4.469   2.423
  112    HD2  PHE  15           HD2      PHE  15   1.783  -6.138  -1.232
  113    HE1  PHE  15           HE1      PHE  15  -1.861  -4.141   1.421
  114    HE2  PHE  15           HE2      PHE  15  -0.495  -5.810  -2.233
  115    HZ   PHE  15           HZ       PHE  15  -2.289  -4.815  -0.895
  116    H    ASP  16           HN       ASP  16   3.508  -3.210   2.525
  117    HA   ASP  16           HA       ASP  16   6.022  -3.945   3.657
  118   1HB   ASP  16          2HB       ASP  16   5.538  -1.026   2.914
  119   2HB   ASP  16          3HB       ASP  16   6.983  -1.695   3.647
  120    H    HIS  17           HN       HIS  17   5.781  -3.784   5.913
  121    HA   HIS  17           HA       HIS  17   3.542  -2.135   6.839
  122   1HB   HIS  17          2HB       HIS  17   3.812  -4.875   7.049
  123   2HB   HIS  17          3HB       HIS  17   4.407  -4.323   8.602
  124    HD1  HIS  17           HD1      HIS  17   1.430  -5.552   7.317
  125    HD2  HIS  17           HD2      HIS  17   2.325  -2.072   9.482
  126    HE1  HIS  17           HE1      HIS  17  -0.757  -4.797   8.393
  127    H    LYS  18           HN       LYS  18   6.667  -3.645   7.934
  128    HA   LYS  18           HA       LYS  18   7.002  -1.730   9.994
  129   1HB   LYS  18          2HB       LYS  18   8.130  -4.197   9.256
  130   2HB   LYS  18          3HB       LYS  18   9.450  -3.051   9.162
  131   1HG   LYS  18          2HG       LYS  18   8.770  -2.201  11.476
  132   2HG   LYS  18          3HG       LYS  18   7.620  -3.521  11.559
  133   1HD   LYS  18          2HD       LYS  18   9.360  -4.680  12.497
  134   2HD   LYS  18          3HD       LYS  18   9.876  -4.907  10.838
  135   1HE   LYS  18          2HE       LYS  18  11.833  -4.019  11.735
  136   2HE   LYS  18          3HE       LYS  18  11.061  -2.540  11.200
  137   1HZ   LYS  18          1HZ       LYS  18  10.182  -3.258  13.777
  138   2HZ   LYS  18          2HZ       LYS  18  11.810  -3.149  13.742
  139   3HZ   LYS  18          3HZ       LYS  18  10.896  -1.876  13.280
  140    H    ALA  19           HN       ALA  19   8.263  -2.116   6.638
  141    HA   ALA  19           HA       ALA  19   9.980   0.122   6.800
  142   1HB   ALA  19          1HB       ALA  19  10.038  -0.148   4.316
  143   2HB   ALA  19          2HB       ALA  19  10.319  -1.676   5.185
  144   3HB   ALA  19          3HB       ALA  19   8.732  -1.352   4.445
  145    H    HIS  20           HN       HIS  20   6.524  -0.356   6.159
  146    HA   HIS  20           HA       HIS  20   6.210   2.253   5.028
  147   1HB   HIS  20          2HB       HIS  20   4.521  -0.116   5.561
  148   2HB   HIS  20          3HB       HIS  20   3.689   1.422   5.676
  149    HD1  HIS  20           HD1      HIS  20   3.004  -0.562   3.406
  150    HD2  HIS  20           HD2      HIS  20   5.800   2.545   3.043
  151    HE1  HIS  20           HE1      HIS  20   3.197  -0.061   0.912
  152    H    ALA  21           HN       ALA  21   5.191   0.618   8.112
  153    HA   ALA  21           HA       ALA  21   4.065   2.760   9.357
  154   1HB   ALA  21          1HB       ALA  21   4.289   1.504  11.324
  155   2HB   ALA  21          2HB       ALA  21   4.392   0.259  10.056
  156   3HB   ALA  21          3HB       ALA  21   5.874   0.851  10.845
  157    H    GLU  22           HN       GLU  22   7.494   2.098   8.694
  158    HA   GLU  22           HA       GLU  22   8.706   3.661  10.528
  159   1HB   GLU  22          2HB       GLU  22   9.330   3.040   7.634
  160   2HB   GLU  22          3HB       GLU  22  10.372   4.130   8.526
  161   1HG   GLU  22          2HG       GLU  22   9.678   1.631   9.990
  162   2HG   GLU  22          3HG       GLU  22  10.607   1.373   8.526
  163    H    LYS  23           HN       LYS  23   7.612   4.746   7.228
  164    HA   LYS  23           HA       LYS  23   7.887   7.499   8.111
  165   1HB   LYS  23          2HB       LYS  23   6.972   6.645   5.375
  166   2HB   LYS  23          3HB       LYS  23   7.836   8.091   5.854
  167   1HG   LYS  23          2HG       LYS  23   9.012   5.276   6.019
  168   2HG   LYS  23          3HG       LYS  23   9.268   6.361   4.667
  169   1HD   LYS  23          2HD       LYS  23   9.872   7.359   7.457
  170   2HD   LYS  23          3HD       LYS  23  11.005   6.260   6.698
  171   1HE   LYS  23          2HE       LYS  23  11.557   7.781   4.987
  172   2HE   LYS  23          3HE       LYS  23  10.026   8.625   5.093
  173   1HZ   LYS  23          1HZ       LYS  23  10.894   9.212   7.434
  174   2HZ   LYS  23          2HZ       LYS  23  12.363   8.883   6.799
  175   3HZ   LYS  23          3HZ       LYS  23  11.430  10.050   6.140
  176    H    LEU  24           HN       LEU  24   5.441   5.015   7.421
  177    HA   LEU  24           HA       LEU  24   3.261   6.802   7.258
  178   1HB   LEU  24          2HB       LEU  24   3.413   3.852   7.888
  179   2HB   LEU  24          3HB       LEU  24   1.923   4.735   7.620
  180    HG   LEU  24           HG       LEU  24   3.379   3.389   5.712
  181   1HD1  LEU  24          1HD       LEU  24   0.972   4.073   5.701
  182   2HD1  LEU  24          2HD       LEU  24   1.486   5.685   5.148
  183   3HD1  LEU  24          3HD       LEU  24   1.801   4.254   4.136
  184   1HD2  LEU  24          1HD       LEU  24   4.056   6.329   5.529
  185   2HD2  LEU  24          2HD       LEU  24   5.163   4.936   5.551
  186   3HD2  LEU  24          3HD       LEU  24   4.122   5.224   4.135
  187    H    GLY  25           HN       GLY  25   2.802   4.330   9.670
  188   1HA   GLY  25          1HA       GLY  25   3.389   4.869  12.049
  189   2HA   GLY  25          2HA       GLY  25   2.673   6.438  11.739
  190    H    CYS  26           HN       CYS  26   1.481   3.338  10.365
  191    HA   CYS  26           HA       CYS  26  -0.384   2.214  10.644
  192   1HB   CYS  26          2HB       CYS  26  -1.232   3.379  13.214
  193   2HB   CYS  26          3HB       CYS  26  -1.092   1.704  12.717
  194    H    ASP  27           HN       ASP  27  -1.193   5.251  12.481
  195    HA   ASP  27           HA       ASP  27  -3.656   5.634  11.593
  196   1HB   ASP  27          2HB       ASP  27  -1.628   7.220  12.804
  197   2HB   ASP  27          3HB       ASP  27  -2.221   8.183  11.465
  198    H    ALA  28           HN       ALA  28  -0.634   5.967   9.780
  199    HA   ALA  28           HA       ALA  28  -1.503   7.655   7.730
  200   1HB   ALA  28          1HB       ALA  28   0.666   7.411   7.203
  201   2HB   ALA  28          2HB       ALA  28   0.811   6.154   8.455
  202   3HB   ALA  28          3HB       ALA  28   0.393   5.702   6.786
  203    H    CYS  29           HN       CYS  29  -1.740   4.104   8.253
  204    HA   CYS  29           HA       CYS  29  -3.213   3.928   5.738
  205   1HB   CYS  29          2HB       CYS  29  -1.912   1.804   7.449
  206   2HB   CYS  29          3HB       CYS  29  -2.946   1.448   6.080
  207    H    HIS  30           HN       HIS  30  -3.256   2.864   9.218
  208    HA   HIS  30           HA       HIS  30  -6.122   2.451   8.983
  209   1HB   HIS  30          2HB       HIS  30  -4.371   1.867  11.376
  210   2HB   HIS  30          3HB       HIS  30  -5.972   1.242  11.034
  211    HD1  HIS  30           HD1      HIS  30  -5.978  -1.086  10.147
  212    HD2  HIS  30           HD2      HIS  30  -2.443   0.953   9.176
  213    HE1  HIS  30           HE1      HIS  30  -4.503  -2.762   8.911
  214    H    GLU  31           HN       GLU  31  -6.385   2.929  11.975
  215    HA   GLU  31           HA       GLU  31  -5.785   5.687  12.286
  216   1HB   GLU  31          2HB       GLU  31  -8.057   6.538  12.387
  217   2HB   GLU  31          3HB       GLU  31  -7.832   5.765  10.831
  218   1HG   GLU  31          2HG       GLU  31  -9.361   4.116  11.281
  219   2HG   GLU  31          3HG       GLU  31  -8.793   3.900  12.925
  220    H    GLY  32           HN       GLY  32  -8.297   5.803  14.153
  221   1HA   GLY  32          1HA       GLY  32  -7.032   5.122  16.532
  222   2HA   GLY  32          2HA       GLY  32  -8.750   5.393  16.316
  223    H    THR  33           HN       THR  33  -6.175   2.990  16.576
  224    HA   THR  33           HA       THR  33  -6.232   0.816  17.054
  225    HB   THR  33           HB       THR  33  -9.263   1.130  17.344
  226    HG1  THR  33           HG1      THR  33  -7.816   2.734  18.493
  227   1HG2  THR  33          1HG       THR  33  -7.208  -0.622  18.794
  228   2HG2  THR  33          2HG       THR  33  -8.958  -0.579  19.117
  229   3HG2  THR  33          3HG       THR  33  -8.355  -1.212  17.566
  230    HA   PRO  34           HA       PRO  34  -7.045  -0.420  12.931
  231   1HB   PRO  34          2HB       PRO  34  -4.951  -2.164  12.725
  232   2HB   PRO  34          3HB       PRO  34  -4.818  -0.460  12.344
  233   1HG   PRO  34          2HG       PRO  34  -3.826  -1.909  14.721
  234   2HG   PRO  34          3HG       PRO  34  -3.352  -0.332  14.119
  235   1HD   PRO  34          2HD       PRO  34  -5.069  -0.869  16.353
  236   2HD   PRO  34          3HD       PRO  34  -4.687   0.702  15.678
  237    H    ALA  35           HN       ALA  35  -6.551  -3.007  12.023
  238    HA   ALA  35           HA       ALA  35  -7.411  -4.972  13.761
  239   1HB   ALA  35          1HB       ALA  35  -9.527  -4.082  14.112
  240   2HB   ALA  35          2HB       ALA  35  -9.606  -3.350  12.492
  241   3HB   ALA  35          3HB       ALA  35  -9.830  -5.104  12.688
  242    H    LYS  36           HN       LYS  36  -8.187  -3.746  10.425
  243    HA   LYS  36           HA       LYS  36  -6.426  -5.486   9.160
  244   1HB   LYS  36          2HB       LYS  36  -7.640  -7.324   8.498
  245   2HB   LYS  36          3HB       LYS  36  -8.232  -7.101  10.131
  246   1HG   LYS  36          2HG       LYS  36 -10.324  -7.034   9.249
  247   2HG   LYS  36          3HG       LYS  36  -9.920  -5.446   8.626
  248   1HD   LYS  36          2HD       LYS  36 -10.664  -6.681   6.720
  249   2HD   LYS  36          3HD       LYS  36  -8.918  -6.632   6.571
  250   1HE   LYS  36          2HE       LYS  36  -8.686  -8.904   7.388
  251   2HE   LYS  36          3HE       LYS  36 -10.354  -8.956   7.926
  252   1HZ   LYS  36          1HZ       LYS  36 -10.926  -8.588   5.524
  253   2HZ   LYS  36          2HZ       LYS  36  -9.368  -8.925   5.170
  254   3HZ   LYS  36          3HZ       LYS  36 -10.302 -10.051   5.897
  255    H    ILE  37           HN       ILE  37  -6.798  -5.457   6.723
  256    HA   ILE  37           HA       ILE  37  -8.370  -3.077   6.017
  257    HB   ILE  37           HB       ILE  37  -5.681  -3.880   4.899
  258   1HG1  ILE  37          2HG       ILE  37  -6.470  -1.852   6.990
  259   2HG1  ILE  37          3HG       ILE  37  -5.253  -3.110   7.088
  260   1HG2  ILE  37          1HG       ILE  37  -7.379  -1.419   4.395
  261   2HG2  ILE  37          2HG       ILE  37  -5.757  -1.739   3.732
  262   3HG2  ILE  37          3HG       ILE  37  -7.130  -2.771   3.263
  263   1HD1  ILE  37          1HD       ILE  37  -4.209  -1.802   4.992
  264   2HD1  ILE  37          2HD       ILE  37  -5.130  -0.448   5.687
  265   3HD1  ILE  37          3HD       ILE  37  -3.891  -1.274   6.662
  266    H    ALA  38           HN       ALA  38  -9.157  -3.063   3.757
  267    HA   ALA  38           HA       ALA  38  -9.728  -5.812   2.920
  268   1HB   ALA  38          1HB       ALA  38 -11.831  -5.061   2.696
  269   2HB   ALA  38          2HB       ALA  38 -11.311  -3.465   3.289
  270   3HB   ALA  38          3HB       ALA  38 -11.285  -3.819   1.545
  271    H    ILE  39           HN       ILE  39  -7.952  -6.377   1.654
  272    HA   ILE  39           HA       ILE  39  -7.583  -4.681  -0.713
  273    HB   ILE  39           HB       ILE  39  -5.456  -6.044   0.939
  274   1HG1  ILE  39          2HG       ILE  39  -6.472  -3.782   1.663
  275   2HG1  ILE  39          3HG       ILE  39  -4.729  -3.945   1.598
  276   1HG2  ILE  39          1HG       ILE  39  -5.506  -5.382  -1.880
  277   2HG2  ILE  39          2HG       ILE  39  -4.244  -4.462  -1.026
  278   3HG2  ILE  39          3HG       ILE  39  -4.270  -6.240  -0.929
  279   1HD1  ILE  39          1HD       ILE  39  -6.167  -2.992  -0.879
  280   2HD1  ILE  39          2HD       ILE  39  -5.930  -1.857   0.472
  281   3HD1  ILE  39          3HD       ILE  39  -4.522  -2.612  -0.313
  282    H    ASP  40           HN       ASP  40  -7.215  -5.798  -2.687
  283    HA   ASP  40           HA       ASP  40  -7.000  -8.614  -2.663
  284   1HB   ASP  40          2HB       ASP  40  -9.366  -8.638  -2.282
  285   2HB   ASP  40          3HB       ASP  40  -9.638  -7.274  -3.349
  286    H    LYS  41           HN       LYS  41  -8.507  -5.974  -4.691
  287    HA   LYS  41           HA       LYS  41  -6.365  -5.594  -6.378
  288   1HB   LYS  41          2HB       LYS  41  -6.515  -7.865  -7.121
  289   2HB   LYS  41          3HB       LYS  41  -8.248  -7.755  -7.347
  290   1HG   LYS  41          2HG       LYS  41  -6.860  -5.646  -8.844
  291   2HG   LYS  41          3HG       LYS  41  -6.250  -7.230  -9.280
  292   1HD   LYS  41          2HD       LYS  41  -9.036  -7.609  -9.165
  293   2HD   LYS  41          3HD       LYS  41  -8.870  -6.011  -9.864
  294   1HE   LYS  41          2HE       LYS  41  -7.441  -6.854 -11.655
  295   2HE   LYS  41          3HE       LYS  41  -7.304  -8.423 -10.885
  296   1HZ   LYS  41          1HZ       LYS  41  -9.787  -8.525 -11.119
  297   2HZ   LYS  41          2HZ       LYS  41  -9.678  -7.244 -12.126
  298   3HZ   LYS  41          3HZ       LYS  41  -8.930  -8.646 -12.504
  299    H    LYS  42           HN       LYS  42  -8.350  -4.106  -4.973
  300    HA   LYS  42           HA       LYS  42  -9.373  -2.594  -7.201
  301   1HB   LYS  42          2HB       LYS  42 -11.062  -4.502  -6.145
  302   2HB   LYS  42          3HB       LYS  42 -11.503  -3.075  -5.230
  303   1HG   LYS  42          2HG       LYS  42 -11.659  -1.805  -7.445
  304   2HG   LYS  42          3HG       LYS  42 -11.423  -3.332  -8.271
  305   1HD   LYS  42          2HD       LYS  42 -13.449  -3.981  -6.491
  306   2HD   LYS  42          3HD       LYS  42 -13.824  -2.305  -6.845
  307   1HE   LYS  42          2HE       LYS  42 -14.593  -2.838  -8.917
  308   2HE   LYS  42          3HE       LYS  42 -13.110  -3.683  -9.314
  309   1HZ   LYS  42          1HZ       LYS  42 -13.947  -5.613  -8.200
  310   2HZ   LYS  42          2HZ       LYS  42 -15.301  -4.832  -7.727
  311   3HZ   LYS  42          3HZ       LYS  42 -15.039  -5.127  -9.312
  312    H    SER  43           HN       SER  43  -9.980  -2.899  -3.628
  313    HA   SER  43           HA       SER  43 -10.055  -0.237  -3.136
  314   1HB   SER  43          2HB       SER  43 -10.411  -2.385  -1.608
  315   2HB   SER  43          3HB       SER  43  -8.749  -2.088  -1.137
  316    HG   SER  43           HG       SER  43 -10.066   0.290  -1.069
  317    H    ALA  44           HN       ALA  44  -7.184  -2.460  -2.927
  318    HA   ALA  44           HA       ALA  44  -5.329  -0.564  -2.155
  319   1HB   ALA  44          1HB       ALA  44  -4.278  -2.569  -4.013
  320   2HB   ALA  44          2HB       ALA  44  -3.966  -2.356  -2.274
  321   3HB   ALA  44          3HB       ALA  44  -5.387  -3.279  -2.815
  322    H    HIS  45           HN       HIS  45  -7.079  -0.912  -5.141
  323    HA   HIS  45           HA       HIS  45  -5.091   0.699  -6.541
  324   1HB   HIS  45          2HB       HIS  45  -7.221  -1.211  -7.360
  325   2HB   HIS  45          3HB       HIS  45  -6.948   0.156  -8.423
  326    HD1  HIS  45           HD1      HIS  45  -4.995   0.001 -10.016
  327    HD2  HIS  45           HD2      HIS  45  -4.786  -2.829  -6.926
  328    HE1  HIS  45           HE1      HIS  45  -3.036  -1.532 -10.583
  329    H    LYS  46           HN       LYS  46  -7.455   1.265  -4.393
  330    HA   LYS  46           HA       LYS  46  -8.429   3.612  -5.871
  331   1HB   LYS  46          2HB       LYS  46  -9.872   1.542  -4.373
  332   2HB   LYS  46          3HB       LYS  46 -10.267   3.167  -3.851
  333   1HG   LYS  46          2HG       LYS  46 -10.186   3.344  -6.672
  334   2HG   LYS  46          3HG       LYS  46 -10.960   1.802  -6.359
  335   1HD   LYS  46          2HD       LYS  46 -12.534   2.981  -4.751
  336   2HD   LYS  46          3HD       LYS  46 -11.811   4.506  -5.222
  337   1HE   LYS  46          2HE       LYS  46 -12.691   4.410  -7.413
  338   2HE   LYS  46          3HE       LYS  46 -12.854   2.666  -7.385
  339   1HZ   LYS  46          1HZ       LYS  46 -14.461   4.500  -5.746
  340   2HZ   LYS  46          2HZ       LYS  46 -14.961   3.822  -7.145
  341   3HZ   LYS  46          3HZ       LYS  46 -14.651   2.882  -5.847
  342    H    ASP  47           HN       ASP  47  -9.576   4.926  -3.624
  343    HA   ASP  47           HA       ASP  47  -7.677   6.494  -2.760
  344   1HB   ASP  47          2HB       ASP  47 -10.104   5.390  -1.332
  345   2HB   ASP  47          3HB       ASP  47  -9.035   6.467  -0.454
  346    H    ALA  48           HN       ALA  48  -8.352   3.173  -1.603
  347    HA   ALA  48           HA       ALA  48  -7.128   2.956   0.754
  348   1HB   ALA  48          1HB       ALA  48  -6.355   0.969  -1.365
  349   2HB   ALA  48          2HB       ALA  48  -6.966   0.695   0.283
  350   3HB   ALA  48          3HB       ALA  48  -8.082   1.202  -1.006
  351    H    CYS  49           HN       CYS  49  -5.470   3.212  -2.447
  352    HA   CYS  49           HA       CYS  49  -3.040   3.853  -0.942
  353   1HB   CYS  49          2HB       CYS  49  -3.323   2.143  -3.411
  354   2HB   CYS  49          3HB       CYS  49  -1.803   2.883  -2.950
  355    H    LYS  50           HN       LYS  50  -2.952   3.816  -4.433
  356    HA   LYS  50           HA       LYS  50  -2.256   5.651  -5.639
  357   1HB   LYS  50          2HB       LYS  50  -5.256   5.888  -5.271
  358   2HB   LYS  50          3HB       LYS  50  -4.347   6.698  -6.531
  359   1HG   LYS  50          2HG       LYS  50  -3.616   3.876  -6.457
  360   2HG   LYS  50          3HG       LYS  50  -5.358   4.028  -6.557
  361   1HD   LYS  50          2HD       LYS  50  -3.818   5.858  -8.350
  362   2HD   LYS  50          3HD       LYS  50  -3.672   4.153  -8.726
  363   1HE   LYS  50          2HE       LYS  50  -5.586   4.684  -9.955
  364   2HE   LYS  50          3HE       LYS  50  -6.320   4.152  -8.457
  365   1HZ   LYS  50          1HZ       LYS  50  -6.433   6.672  -9.629
  366   2HZ   LYS  50          2HZ       LYS  50  -7.198   6.146  -8.285
  367   3HZ   LYS  50          3HZ       LYS  50  -5.719   6.829  -8.168
  368    H    THR  51           HN       THR  51  -4.931   7.501  -4.225
  369    HA   THR  51           HA       THR  51  -3.826   9.866  -3.965
  370    HB   THR  51           HB       THR  51  -6.068   9.613  -3.212
  371    HG1  THR  51           HG1      THR  51  -5.814  10.281  -0.886
  372   1HG2  THR  51          1HG       THR  51  -5.620   7.120  -2.468
  373   2HG2  THR  51          2HG       THR  51  -5.197   7.841  -0.898
  374   3HG2  THR  51          3HG       THR  51  -6.830   8.066  -1.568
  375    H    CYS  52           HN       CYS  52  -3.396   7.372  -1.362
  376    HA   CYS  52           HA       CYS  52  -1.337   9.020  -0.210
  377   1HB   CYS  52          2HB       CYS  52  -3.072   7.665   1.082
  378   2HB   CYS  52          3HB       CYS  52  -2.143   6.243   0.650
  379    H    HIS  53           HN       HIS  53   0.072   8.948  -2.178
  380    HA   HIS  53           HA       HIS  53   2.165   7.242  -1.935
  381   1HB   HIS  53          2HB       HIS  53  -0.004   5.813  -3.012
  382   2HB   HIS  53          3HB       HIS  53   1.042   6.144  -4.378
  383    HD1  HIS  53           HD1      HIS  53   3.601   5.288  -4.137
  384    HD2  HIS  53           HD2      HIS  53   0.871   3.806  -1.319
  385    HE1  HIS  53           HE1      HIS  53   4.707   3.249  -3.074
  386    H    LYS  54           HN       LYS  54  -0.011   9.045  -4.128
  387    HA   LYS  54           HA       LYS  54   2.035   9.656  -6.002
  388   1HB   LYS  54          2HB       LYS  54  -0.777  10.624  -5.510
  389   2HB   LYS  54          3HB       LYS  54   0.255  11.429  -6.674
  390   1HG   LYS  54          2HG       LYS  54   0.695   9.091  -7.695
  391   2HG   LYS  54          3HG       LYS  54  -0.611   8.506  -6.683
  392   1HD   LYS  54          2HD       LYS  54  -1.775   9.027  -8.645
  393   2HD   LYS  54          3HD       LYS  54  -1.986  10.510  -7.734
  394   1HE   LYS  54          2HE       LYS  54   0.454  10.939  -9.034
  395   2HE   LYS  54          3HE       LYS  54  -0.459  10.038 -10.227
  396   1HZ   LYS  54          1HZ       LYS  54  -0.717  12.573 -10.055
  397   2HZ   LYS  54          2HZ       LYS  54  -2.038  11.657 -10.338
  398   3HZ   LYS  54          3HZ       LYS  54  -1.756  12.241  -8.840
  399    H    SER  55           HN       SER  55   3.602  10.178  -4.117
  400    HA   SER  55           HA       SER  55   3.601  13.049  -3.917
  401   1HB   SER  55          2HB       SER  55   2.799  11.417  -1.718
  402   2HB   SER  55          3HB       SER  55   4.420  11.968  -1.344
  403    HG   SER  55           HG       SER  55   3.256  14.141  -2.273
  404    H    ASN  56           HN       ASN  56   5.258  10.030  -2.720
  405    HA   ASN  56           HA       ASN  56   7.766  11.295  -3.472
  406   1HB   ASN  56          2HB       ASN  56   6.936   9.717  -1.203
  407   2HB   ASN  56          3HB       ASN  56   8.115   8.763  -2.080
  408   1HD2  ASN  56          1HD       ASN  56   7.484  11.942  -0.675
  409   2HD2  ASN  56          2HD       ASN  56   9.124  12.365  -0.309
  410    H    ASN  57           HN       ASN  57   6.639   7.849  -3.101
  411    HA   ASN  57           HA       ASN  57   8.193   6.686  -4.897
  412   1HB   ASN  57          2HB       ASN  57   5.296   6.194  -4.132
  413   2HB   ASN  57          3HB       ASN  57   6.017   5.194  -5.377
  414   1HD2  ASN  57          1HD       ASN  57   6.180   6.223  -2.033
  415   2HD2  ASN  57          2HD       ASN  57   7.126   4.909  -1.418
  416    H    GLY  58           HN       GLY  58   4.989   8.283  -5.537
  417   1HA   GLY  58          1HA       GLY  58   4.168   9.263  -7.394
  418   2HA   GLY  58          2HA       GLY  58   5.761   9.180  -8.118
  419    HA   PRO  59           HA       PRO  59   3.738   5.035  -9.145
  420   1HB   PRO  59          2HB       PRO  59   1.329   4.334  -8.060
  421   2HB   PRO  59          3HB       PRO  59   2.866   3.846  -7.376
  422   1HG   PRO  59          2HG       PRO  59   0.985   5.917  -6.420
  423   2HG   PRO  59          3HG       PRO  59   2.284   5.126  -5.548
  424   1HD   PRO  59          2HD       PRO  59   2.316   7.778  -6.641
  425   2HD   PRO  59          3HD       PRO  59   3.653   6.945  -5.872
  426    H    THR  60           HN       THR  60   1.066   4.235  -9.822
  427    HA   THR  60           HA       THR  60  -0.468   4.634 -11.382
  428    HB   THR  60           HB       THR  60   0.178   7.500 -10.549
  429    HG1  THR  60           HG1      THR  60  -1.968   7.079  -9.570
  430   1HG2  THR  60          1HG       THR  60  -0.829   8.002 -12.612
  431   2HG2  THR  60          2HG       THR  60  -1.683   6.443 -12.686
  432   3HG2  THR  60          3HG       THR  60  -2.280   7.736 -11.618
  433    H    LYS  61           HN       LYS  61   2.381   4.199 -12.021
  434    HA   LYS  61           HA       LYS  61   2.180   5.063 -14.781
  435   1HB   LYS  61          2HB       LYS  61   4.336   6.068 -14.886
  436   2HB   LYS  61          3HB       LYS  61   3.461   6.847 -13.582
  437   1HG   LYS  61          2HG       LYS  61   4.596   5.153 -11.989
  438   2HG   LYS  61          3HG       LYS  61   5.627   4.717 -13.337
  439   1HD   LYS  61          2HD       LYS  61   6.154   7.258 -13.542
  440   2HD   LYS  61          3HD       LYS  61   5.405   7.427 -11.968
  441   1HE   LYS  61          2HE       LYS  61   7.259   6.637 -10.918
  442   2HE   LYS  61          3HE       LYS  61   7.279   5.195 -11.915
  443   1HZ   LYS  61          1HZ       LYS  61   8.336   7.808 -12.750
  444   2HZ   LYS  61          2HZ       LYS  61   9.242   6.560 -12.210
  445   3HZ   LYS  61          3HZ       LYS  61   8.415   6.422 -13.612
  446    H    CYS  62           HN       CYS  62   1.936   2.568 -13.035
  447    HA   CYS  62           HA       CYS  62   2.581   0.467 -13.034
  448   1HB   CYS  62          2HB       CYS  62   2.825   1.343 -15.836
  449   2HB   CYS  62          3HB       CYS  62   3.718  -0.117 -15.455
  450    H    GLY  63           HN       GLY  63   4.482   2.510 -12.046
  451   1HA   GLY  63          1HA       GLY  63   6.904   0.882 -12.159
  452   2HA   GLY  63          2HA       GLY  63   7.032   2.537 -12.720
  453    H    GLY  64           HN       GLY  64   4.610   1.907 -10.257
  454   1HA   GLY  64          1HA       GLY  64   6.230   3.413  -8.330
  455   2HA   GLY  64          2HA       GLY  64   4.493   3.179  -8.301
  456    H    CYS  65           HN       CYS  65   3.775   0.741  -8.105
  457    HA   CYS  65           HA       CYS  65   5.332  -0.333  -5.900
  458   1HB   CYS  65          2HB       CYS  65   2.789  -1.633  -6.626
  459   2HB   CYS  65          3HB       CYS  65   3.424  -1.178  -5.058
  460    H    HIS  66           HN       HIS  66   3.404  -1.697  -8.679
  461    HA   HIS  66           HA       HIS  66   4.549  -4.137  -8.779
  462   1HB   HIS  66          2HB       HIS  66   3.444  -2.348 -10.938
  463   2HB   HIS  66          3HB       HIS  66   4.054  -3.947 -11.320
  464    HD1  HIS  66           HD1      HIS  66   2.854  -5.985  -9.888
  465    HD2  HIS  66           HD2      HIS  66   0.838  -2.311 -10.077
  466    HE1  HIS  66           HE1      HIS  66   0.429  -6.467  -9.257
  467    H    ILE  67           HN       ILE  67   6.303  -5.123  -9.946
  468    HA   ILE  67           HA       ILE  67   8.441  -3.199 -10.537
  469    HB   ILE  67           HB       ILE  67   8.517  -6.012  -9.456
  470   1HG1  ILE  67          2HG       ILE  67   9.685  -3.485  -8.277
  471   2HG1  ILE  67          3HG       ILE  67   8.050  -4.012  -7.935
  472   1HG2  ILE  67          1HG       ILE  67  10.296  -6.010 -10.984
  473   2HG2  ILE  67          2HG       ILE  67  10.729  -4.323 -10.620
  474   3HG2  ILE  67          3HG       ILE  67  11.040  -5.601  -9.419
  475   1HD1  ILE  67          1HD       ILE  67  10.236  -4.799  -6.487
  476   2HD1  ILE  67          2HD       ILE  67   8.740  -5.755  -6.610
  477   3HD1  ILE  67          3HD       ILE  67  10.127  -6.134  -7.659
  478    H    LYS  68           HN       LYS  68   8.307  -2.810 -12.711
  479    HA   LYS  68           HA       LYS  68   8.146  -5.195 -14.419
  480   1HB   LYS  68          2HB       LYS  68   6.304  -3.290 -14.407
  481   2HB   LYS  68          3HB       LYS  68   7.462  -2.457 -15.426
  482   1HG   LYS  68          2HG       LYS  68   7.286  -5.205 -16.318
  483   2HG   LYS  68          3HG       LYS  68   5.658  -4.576 -16.156
  484   1HD   LYS  68          2HD       LYS  68   5.894  -3.178 -17.944
  485   2HD   LYS  68          3HD       LYS  68   7.467  -2.618 -17.413
  486   1HE   LYS  68          2HE       LYS  68   8.489  -4.759 -18.282
  487   2HE   LYS  68          3HE       LYS  68   6.912  -5.246 -18.873
  488   1HZ   LYS  68          1HZ       LYS  68   6.905  -3.538 -20.407
  489   2HZ   LYS  68          2HZ       LYS  68   8.074  -2.679 -19.655
  490   3HZ   LYS  68          3HZ       LYS  68   8.454  -4.053 -20.454
  491    HHA  HEC  98           HGM      HEC  98  -4.336  -5.809   8.563
  492    HHB  HEC  98           HDM      HEC  98  -2.019  -2.728  13.473
  493    HHC  HEC  98           HAM      HEC  98   1.294   0.913   9.488
  494    HHD  HEC  98           HBM      HEC  98  -1.471  -1.972   4.709
  495   1HMA  HEC  98          1HM       HEC  98  -2.577  -5.992  13.897
  496   2HMA  HEC  98          2HM       HEC  98  -3.150  -4.351  14.280
  497   3HMA  HEC  98          3HM       HEC  98  -4.317  -5.622  13.844
  498   1HAA  HEC  98          1HA       HEC  98  -4.751  -7.101  12.011
  499   2HAA  HEC  98          2HA       HEC  98  -5.242  -6.671  10.356
  500   1HBA  HEC  98          3HB       HEC  98  -4.096  -8.629   9.812
  501   2HBA  HEC  98          4HB       HEC  98  -2.678  -7.556   9.873
  502   1HMB  HEC  98          1HM       HEC  98  -1.482   0.298  14.412
  503   2HMB  HEC  98          2HM       HEC  98  -1.114  -1.419  14.694
  504   3HMB  HEC  98          3HM       HEC  98   0.185  -0.206  14.774
  505    HAB  HEC  98           HT2      HEC  98   1.676   1.614  11.336
  506   1HBB  HEC  98          1HT       HEC  98   3.154   0.014  12.215
  507   2HBB  HEC  98          2HT       HEC  98   3.297   1.582  13.045
  508   3HBB  HEC  98          3HT       HEC  98   2.465   0.227  13.843
  509   1HMC  HEC  98          1HM       HEC  98   2.744   1.325   7.388
  510   2HMC  HEC  98          2HM       HEC  98   1.873   2.127   6.059
  511   3HMC  HEC  98          3HM       HEC  98   1.440   2.483   7.748
  512    HAC  HEC  98           HT4      HEC  98   0.201   1.613   4.466
  513   1HBC  HEC  98          1HT       HEC  98  -1.422  -0.606   3.345
  514   2HBC  HEC  98          2HT       HEC  98  -2.114   0.177   4.786
  515   3HBC  HEC  98          3HT       HEC  98  -1.723   1.149   3.347
  516   1HMD  HEC  98          1HM       HEC  98  -3.489  -4.722   3.367
  517   2HMD  HEC  98          2HM       HEC  98  -3.731  -2.961   3.445
  518   3HMD  HEC  98          3HM       HEC  98  -2.086  -3.626   3.313
  519   1HAD  HEC  98          1HA       HEC  98  -4.378  -6.748   6.461
  520   2HAD  HEC  98          2HA       HEC  98  -5.149  -5.803   5.166
  521   1HBD  HEC  98          3HB       HEC  98  -2.481  -6.302   4.364
  522   2HBD  HEC  98          4HB       HEC  98  -3.154  -7.832   4.976
  523    HHA  HEC 128           HGM      HEC 128   7.605   3.226  -0.540
  524    HHB  HEC 128           HDM      HEC 128   3.592  -0.883  -2.988
  525    HHC  HEC 128           HAM      HEC 128  -0.967   1.553   0.672
  526    HHD  HEC 128           HBM      HEC 128   3.067   5.867   2.655
  527   1HMA  HEC 128          1HM       HEC 128   5.683  -1.907  -3.025
  528   2HMA  HEC 128          2HM       HEC 128   6.349  -0.807  -4.254
  529   3HMA  HEC 128          3HM       HEC 128   7.404  -1.457  -2.978
  530   1HAA  HEC 128          1HA       HEC 128   8.770   0.498  -2.680
  531   2HAA  HEC 128          2HA       HEC 128   8.710   2.076  -1.858
  532   1HBA  HEC 128          3HB       HEC 128   8.405   0.468   0.324
  533   2HBA  HEC 128          4HB       HEC 128   9.310  -0.659  -0.713
  534   1HMB  HEC 128          1HM       HEC 128  -0.069  -1.653  -3.556
  535   2HMB  HEC 128          2HM       HEC 128   1.492  -1.067  -4.176
  536   3HMB  HEC 128          3HM       HEC 128   1.442  -2.451  -3.058
  537    HAB  HEC 128           HT2      HEC 128  -1.930   0.320  -0.837
  538   1HBB  HEC 128          1HT       HEC 128  -2.710  -1.592   0.162
  539   2HBB  HEC 128          2HT       HEC 128  -1.220  -2.492  -0.208
  540   3HBB  HEC 128          3HT       HEC 128  -1.176  -1.133   0.940
  541   1HMC  HEC 128          1HM       HEC 128  -2.101   2.450   1.917
  542   2HMC  HEC 128          2HM       HEC 128  -1.921   3.478   3.358
  543   3HMC  HEC 128          3HM       HEC 128  -2.380   4.203   1.800
  544    HAC  HEC 128           HT4      HEC 128   1.081   6.422   3.439
  545   1HBC  HEC 128          1HT       HEC 128  -1.854   5.664   3.705
  546   2HBC  HEC 128          2HT       HEC 128  -0.588   5.075   4.811
  547   3HBC  HEC 128          3HT       HEC 128  -0.928   6.819   4.693
  548   1HMD  HEC 128          1HM       HEC 128   4.546   7.000   3.323
  549   2HMD  HEC 128          2HM       HEC 128   6.320   6.870   3.372
  550   3HMD  HEC 128          3HM       HEC 128   5.531   7.807   2.080
  551   1HAD  HEC 128          1HA       HEC 128   8.056   5.718   2.510
  552   2HAD  HEC 128          2HA       HEC 128   8.544   4.475   1.333
  553   1HBD  HEC 128          3HB       HEC 128   9.155   6.029  -0.113
  554   2HBD  HEC 128          4HB       HEC 128   7.544   6.784  -0.050
  555    HHA  HEC 158           HGM      HEC 158  -3.332  -7.273  -7.420
  556    HHB  HEC 158           HDM      HEC 158  -1.925  -5.598 -13.267
  557    HHC  HEC 158           HAM      HEC 158  -0.271   0.124 -11.114
  558    HHD  HEC 158           HBM      HEC 158  -1.288  -1.877  -5.303
  559   1HMA  HEC 158          1HM       HEC 158  -2.589  -7.891 -13.252
  560   2HMA  HEC 158          2HM       HEC 158  -3.761  -8.887 -12.358
  561   3HMA  HEC 158          3HM       HEC 158  -4.289  -7.379 -13.140
  562   1HAA  HEC 158          1HA       HEC 158  -4.471  -8.462  -8.466
  563   2HAA  HEC 158          2HA       HEC 158  -5.202  -8.756 -10.061
  564   1HBA  HEC 158          3HB       HEC 158  -2.339  -9.518  -9.995
  565   2HBA  HEC 158          4HB       HEC 158  -3.295 -10.417  -8.794
  566   1HMB  HEC 158          1HM       HEC 158  -1.565  -3.857 -15.344
  567   2HMB  HEC 158          2HM       HEC 158   0.078  -3.175 -15.356
  568   3HMB  HEC 158          3HM       HEC 158  -0.210  -4.788 -14.661
  569    HAB  HEC 158           HT2      HEC 158   0.824  -0.358 -13.390
  570   1HBB  HEC 158          1HT       HEC 158  -0.503   1.216 -12.778
  571   2HBB  HEC 158          2HT       HEC 158  -0.979   1.201 -14.493
  572   3HBB  HEC 158          3HT       HEC 158  -1.979   0.361 -13.285
  573   1HMC  HEC 158          1HM       HEC 158  -0.436   2.068  -9.865
  574   2HMC  HEC 158          2HM       HEC 158   0.304   2.401  -8.282
  575   3HMC  HEC 158          3HM       HEC 158   1.244   1.577  -9.548
  576    HAC  HEC 158           HT4      HEC 158  -0.073  -0.109  -5.167
  577   1HBC  HEC 158          1HT       HEC 158  -1.465   1.962  -6.019
  578   2HBC  HEC 158          2HT       HEC 158  -0.371   2.141  -4.626
  579   3HBC  HEC 158          3HT       HEC 158   0.137   2.707  -6.235
  580   1HMD  HEC 158          1HM       HEC 158  -1.175  -4.178  -3.157
  581   2HMD  HEC 158          2HM       HEC 158  -1.930  -2.620  -3.567
  582   3HMD  HEC 158          3HM       HEC 158  -2.941  -3.990  -3.047
  583   1HAD  HEC 158          1HA       HEC 158  -3.863  -5.804  -3.714
  584   2HAD  HEC 158          2HA       HEC 158  -4.429  -6.683  -5.155
  585   1HBD  HEC 158          3HB       HEC 158  -1.996  -7.702  -5.064
  586   2HBD  HEC 158          4HB       HEC 158  -2.128  -7.243  -3.348
  Start of MODEL   25
    1    H    ALA   1           HN       ALA   1   5.850  -9.331  10.343
    2    HA   ALA   1           HA       ALA   1   4.186  -8.625   8.038
    3   1HB   ALA   1          1HB       ALA   1   3.261  -8.955  10.427
    4   2HB   ALA   1          2HB       ALA   1   4.075  -7.422  10.818
    5   3HB   ALA   1          3HB       ALA   1   2.806  -7.462   9.572
    6    H    ASP   2           HN       ASP   2   7.238  -8.044   9.332
    7    HA   ASP   2           HA       ASP   2   7.491  -5.345   9.386
    8   1HB   ASP   2          2HB       ASP   2   9.889  -5.982   8.349
    9   2HB   ASP   2          3HB       ASP   2   9.461  -6.383  10.001
   10    H    VAL   3           HN       VAL   3   6.676  -7.424   6.735
   11    HA   VAL   3           HA       VAL   3   6.318  -5.345   4.932
   12    HB   VAL   3           HB       VAL   3   8.690  -5.134   4.803
   13   1HG1  VAL   3          1HG       VAL   3   8.953  -8.043   4.018
   14   2HG1  VAL   3          2HG       VAL   3  10.235  -6.888   4.453
   15   3HG1  VAL   3          3HG       VAL   3   9.119  -7.490   5.701
   16   1HG2  VAL   3          1HG       VAL   3   9.072  -5.995   2.371
   17   2HG2  VAL   3          2HG       VAL   3   7.362  -6.480   2.459
   18   3HG2  VAL   3          3HG       VAL   3   7.815  -4.772   2.677
   19    H    VAL   4           HN       VAL   4   4.337  -6.673   5.120
   20    HA   VAL   4           HA       VAL   4   4.206  -9.345   4.456
   21    HB   VAL   4           HB       VAL   4   2.183  -7.158   3.928
   22   1HG1  VAL   4          1HG       VAL   4   1.521  -9.161   2.781
   23   2HG1  VAL   4          2HG       VAL   4   1.897 -10.166   4.201
   24   3HG1  VAL   4          3HG       VAL   4   0.532  -9.026   4.255
   25   1HG2  VAL   4          1HG       VAL   4   1.767  -7.025   6.126
   26   2HG2  VAL   4          2HG       VAL   4   1.792  -8.793   6.319
   27   3HG2  VAL   4          3HG       VAL   4   3.314  -7.871   6.366
   28    H    THR   5           HN       THR   5   4.216 -10.518   2.565
   29    HA   THR   5           HA       THR   5   4.723  -8.954   0.128
   30    HB   THR   5           HB       THR   5   5.448 -11.812   0.963
   31    HG1  THR   5           HG1      THR   5   6.896 -10.345   1.893
   32   1HG2  THR   5          1HG       THR   5   6.961 -11.624  -1.100
   33   2HG2  THR   5          2HG       THR   5   5.229 -11.811  -1.469
   34   3HG2  THR   5          3HG       THR   5   5.997 -10.208  -1.585
   35    H    TYR   6           HN       TYR   6   3.777  -9.655  -1.894
   36    HA   TYR   6           HA       TYR   6   1.495 -11.436  -1.652
   37   1HB   TYR   6          2HB       TYR   6   1.521  -8.446  -1.849
   38   2HB   TYR   6          3HB       TYR   6   0.550  -9.194  -3.101
   39    HD1  TYR   6           HD1      TYR   6  -1.587 -10.157  -2.612
   40    HD2  TYR   6           HD2      TYR   6   0.953  -8.847   0.572
   41    HE1  TYR   6           HE1      TYR   6  -3.512 -10.394  -0.969
   42    HE2  TYR   6           HE2      TYR   6  -0.981  -9.089   2.204
   43    HH   TYR   6           HH       TYR   6  -2.996  -9.971   2.485
   44    H    GLU   7           HN       GLU   7   2.910 -12.744  -3.043
   45    HA   GLU   7           HA       GLU   7   3.725 -11.678  -5.524
   46   1HB   GLU   7          2HB       GLU   7   3.653 -14.466  -4.327
   47   2HB   GLU   7          3HB       GLU   7   4.123 -14.220  -5.998
   48   1HG   GLU   7          2HG       GLU   7   6.082 -13.064  -5.432
   49   2HG   GLU   7          3HG       GLU   7   5.432 -12.480  -3.913
   50    H    ASN   8           HN       ASN   8   2.589 -11.521  -7.422
   51    HA   ASN   8           HA       ASN   8   0.173 -13.140  -7.593
   52   1HB   ASN   8          2HB       ASN   8   0.551 -10.234  -8.491
   53   2HB   ASN   8          3HB       ASN   8  -0.874 -11.192  -8.841
   54   1HD2  ASN   8          1HD       ASN   8   0.491  -9.003  -6.780
   55   2HD2  ASN   8          2HD       ASN   8  -0.513  -9.193  -5.381
   56    H    LYS   9           HN       LYS   9  -0.602 -13.077 -10.088
   57    HA   LYS   9           HA       LYS   9   1.488 -14.146 -11.609
   58   1HB   LYS   9          2HB       LYS   9  -1.360 -13.348 -12.170
   59   2HB   LYS   9          3HB       LYS   9  -0.310 -13.849 -13.481
   60   1HG   LYS   9          2HG       LYS   9   0.205 -15.812 -11.590
   61   2HG   LYS   9          3HG       LYS   9  -1.482 -15.464 -11.273
   62   1HD   LYS   9          2HD       LYS   9  -1.633 -17.118 -12.939
   63   2HD   LYS   9          3HD       LYS   9  -1.789 -15.645 -13.876
   64   1HE   LYS   9          2HE       LYS   9   0.686 -15.720 -14.358
   65   2HE   LYS   9          3HE       LYS   9   0.794 -17.229 -13.474
   66   1HZ   LYS   9          1HZ       LYS   9  -1.241 -17.609 -15.224
   67   2HZ   LYS   9          2HZ       LYS   9  -0.143 -16.773 -16.097
   68   3HZ   LYS   9          3HZ       LYS   9   0.281 -18.178 -15.383
   69    H    LYS  10           HN       LYS  10  -0.192 -10.940 -11.700
   70    HA   LYS  10           HA       LYS  10   1.238  -9.940 -13.870
   71   1HB   LYS  10          2HB       LYS  10  -0.683  -9.002 -11.934
   72   2HB   LYS  10          3HB       LYS  10   0.575  -7.799 -12.134
   73   1HG   LYS  10          2HG       LYS  10  -0.718  -7.175 -13.936
   74   2HG   LYS  10          3HG       LYS  10   0.212  -8.419 -14.747
   75   1HD   LYS  10          2HD       LYS  10  -2.280  -9.280 -13.287
   76   2HD   LYS  10          3HD       LYS  10  -2.487  -8.396 -14.786
   77   1HE   LYS  10          2HE       LYS  10  -0.587 -10.765 -14.645
   78   2HE   LYS  10          3HE       LYS  10  -2.306 -11.017 -14.877
   79   1HZ   LYS  10          1HZ       LYS  10  -2.210  -9.626 -16.813
   80   2HZ   LYS  10          2HZ       LYS  10  -0.624  -9.315 -16.583
   81   3HZ   LYS  10          3HZ       LYS  10  -1.114 -10.828 -16.956
   82    H    GLY  11           HN       GLY  11   1.671  -8.540 -10.579
   83   1HA   GLY  11          1HA       GLY  11   4.532  -9.112 -10.673
   84   2HA   GLY  11          2HA       GLY  11   4.060  -7.427 -10.775
   85    H    ASN  12           HN       ASN  12   5.466  -9.110  -8.610
   86    HA   ASN  12           HA       ASN  12   3.749  -9.438  -6.479
   87   1HB   ASN  12          2HB       ASN  12   5.774  -9.570  -5.116
   88   2HB   ASN  12          3HB       ASN  12   6.135 -10.300  -6.668
   89   1HD2  ASN  12          1HD       ASN  12   7.456  -8.523  -4.398
   90   2HD2  ASN  12          2HD       ASN  12   8.491  -7.457  -5.288
   91    H    VAL  13           HN       VAL  13   2.794  -7.916  -5.097
   92    HA   VAL  13           HA       VAL  13   3.839  -5.174  -5.261
   93    HB   VAL  13           HB       VAL  13   1.664  -5.369  -6.274
   94   1HG1  VAL  13          1HG       VAL  13  -0.097  -5.969  -4.160
   95   2HG1  VAL  13          2HG       VAL  13   0.249  -6.957  -5.598
   96   3HG1  VAL  13          3HG       VAL  13   1.173  -7.214  -4.098
   97   1HG2  VAL  13          1HG       VAL  13   2.342  -3.525  -4.420
   98   2HG2  VAL  13          2HG       VAL  13   0.811  -3.491  -5.325
   99   3HG2  VAL  13          3HG       VAL  13   0.857  -4.167  -3.679
  100    H    THR  14           HN       THR  14   5.285  -6.643  -3.583
  101    HA   THR  14           HA       THR  14   4.392  -7.295  -1.098
  102    HB   THR  14           HB       THR  14   6.789  -7.253  -2.346
  103    HG1  THR  14           HG1      THR  14   6.219  -6.953   0.520
  104   1HG2  THR  14          1HG       THR  14   7.012  -5.050  -0.236
  105   2HG2  THR  14          2HG       THR  14   8.315  -5.687  -1.268
  106   3HG2  THR  14          3HG       THR  14   7.005  -4.719  -1.985
  107    H    PHE  15           HN       PHE  15   3.734  -6.326   0.754
  108    HA   PHE  15           HA       PHE  15   3.150  -3.506   0.522
  109   1HB   PHE  15          2HB       PHE  15   2.588  -5.759   2.536
  110   2HB   PHE  15          3HB       PHE  15   2.050  -4.116   2.822
  111    HD1  PHE  15           HD1      PHE  15   1.941  -6.559  -0.011
  112    HD2  PHE  15           HD2      PHE  15  -0.160  -3.725   2.347
  113    HE1  PHE  15           HE1      PHE  15  -0.148  -7.013  -1.326
  114    HE2  PHE  15           HE2      PHE  15  -2.249  -4.179   1.033
  115    HZ   PHE  15           HZ       PHE  15  -2.219  -5.819  -0.789
  116    H    ASP  16           HN       ASP  16   3.243  -2.540   3.077
  117    HA   ASP  16           HA       ASP  16   5.885  -3.110   4.084
  118   1HB   ASP  16          2HB       ASP  16   4.933  -0.384   3.107
  119   2HB   ASP  16          3HB       ASP  16   6.260  -0.548   4.238
  120    H    HIS  17           HN       HIS  17   5.646  -3.263   6.321
  121    HA   HIS  17           HA       HIS  17   3.411  -1.775   7.496
  122   1HB   HIS  17          2HB       HIS  17   3.737  -4.484   7.454
  123   2HB   HIS  17          3HB       HIS  17   4.521  -4.088   8.970
  124    HD1  HIS  17           HD1      HIS  17   2.932  -4.343  10.866
  125    HD2  HIS  17           HD2      HIS  17   1.036  -2.871   7.426
  126    HE1  HIS  17           HE1      HIS  17   0.485  -3.990  11.494
  127    H    LYS  18           HN       LYS  18   6.591  -3.276   8.441
  128    HA   LYS  18           HA       LYS  18   6.948  -1.161  10.382
  129   1HB   LYS  18          2HB       LYS  18   8.425  -2.549  11.409
  130   2HB   LYS  18          3HB       LYS  18   7.495  -3.758  10.546
  131   1HG   LYS  18          2HG       LYS  18   9.609  -4.407   9.862
  132   2HG   LYS  18          3HG       LYS  18   9.278  -3.238   8.598
  133   1HD   LYS  18          2HD       LYS  18  10.318  -1.523  10.394
  134   2HD   LYS  18          3HD       LYS  18  11.082  -2.978  11.003
  135   1HE   LYS  18          2HE       LYS  18  11.429  -3.148   8.206
  136   2HE   LYS  18          3HE       LYS  18  11.673  -1.449   8.559
  137   1HZ   LYS  18          1HZ       LYS  18  12.947  -3.340  10.332
  138   2HZ   LYS  18          2HZ       LYS  18  13.566  -3.216   8.826
  139   3HZ   LYS  18          3HZ       LYS  18  13.486  -1.899   9.788
  140    H    ALA  19           HN       ALA  19   7.750  -1.889   7.075
  141    HA   ALA  19           HA       ALA  19  10.123  -0.271   7.039
  142   1HB   ALA  19          1HB       ALA  19   9.028  -2.292   5.462
  143   2HB   ALA  19          2HB       ALA  19   8.824  -0.830   4.468
  144   3HB   ALA  19          3HB       ALA  19  10.441  -1.290   5.051
  145    H    HIS  20           HN       HIS  20   6.633   0.129   6.643
  146    HA   HIS  20           HA       HIS  20   7.038   2.762   5.486
  147   1HB   HIS  20          2HB       HIS  20   4.777   0.834   5.680
  148   2HB   HIS  20          3HB       HIS  20   4.361   2.537   5.686
  149    HD1  HIS  20           HD1      HIS  20   7.362   1.569   3.676
  150    HD2  HIS  20           HD2      HIS  20   3.257   2.177   3.064
  151    HE1  HIS  20           HE1      HIS  20   7.030   1.713   1.149
  152    H    ALA  21           HN       ALA  21   5.500   1.144   8.341
  153    HA   ALA  21           HA       ALA  21   4.610   3.406   9.626
  154   1HB   ALA  21          1HB       ALA  21   4.923   1.961  11.708
  155   2HB   ALA  21          2HB       ALA  21   3.970   1.231  10.392
  156   3HB   ALA  21          3HB       ALA  21   5.664   0.743  10.641
  157    H    GLU  22           HN       GLU  22   7.834   1.755   9.899
  158    HA   GLU  22           HA       GLU  22   9.008   3.198  11.770
  159   1HB   GLU  22          2HB       GLU  22  11.154   2.842  10.575
  160   2HB   GLU  22          3HB       GLU  22  10.141   1.413  10.518
  161   1HG   GLU  22          2HG       GLU  22   9.535   1.781   8.234
  162   2HG   GLU  22          3HG       GLU  22  10.038   3.459   8.275
  163    H    LYS  23           HN       LYS  23   7.989   4.373   8.591
  164    HA   LYS  23           HA       LYS  23   9.309   6.932   9.141
  165   1HB   LYS  23          2HB       LYS  23  10.015   6.229   7.036
  166   2HB   LYS  23          3HB       LYS  23   8.464   5.532   6.620
  167   1HG   LYS  23          2HG       LYS  23   7.694   7.498   5.769
  168   2HG   LYS  23          3HG       LYS  23   8.199   8.398   7.186
  169   1HD   LYS  23          2HD       LYS  23  10.392   8.773   6.328
  170   2HD   LYS  23          3HD       LYS  23  10.266   7.464   5.169
  171   1HE   LYS  23          2HE       LYS  23   9.849   9.199   3.706
  172   2HE   LYS  23          3HE       LYS  23   8.205   8.980   4.270
  173   1HZ   LYS  23          1HZ       LYS  23   8.377  11.103   4.832
  174   2HZ   LYS  23          2HZ       LYS  23   9.245  10.604   6.122
  175   3HZ   LYS  23          3HZ       LYS  23  10.009  11.126   4.776
  176    H    LEU  24           HN       LEU  24   6.227   5.703   7.648
  177    HA   LEU  24           HA       LEU  24   4.828   8.063   8.061
  178   1HB   LEU  24          2HB       LEU  24   3.912   5.204   7.753
  179   2HB   LEU  24          3HB       LEU  24   2.815   6.571   7.800
  180    HG   LEU  24           HG       LEU  24   4.520   7.393   5.846
  181   1HD1  LEU  24          1HD       LEU  24   4.444   5.050   4.447
  182   2HD1  LEU  24          2HD       LEU  24   5.873   5.691   5.294
  183   3HD1  LEU  24          3HD       LEU  24   4.841   4.475   6.084
  184   1HD2  LEU  24          1HD       LEU  24   2.578   7.513   4.784
  185   2HD2  LEU  24          2HD       LEU  24   2.510   5.741   4.626
  186   3HD2  LEU  24          3HD       LEU  24   1.841   6.532   6.073
  187    H    GLY  25           HN       GLY  25   3.580   5.166   9.718
  188   1HA   GLY  25          1HA       GLY  25   3.939   4.972  12.157
  189   2HA   GLY  25          2HA       GLY  25   3.654   6.699  12.249
  190    H    CYS  26           HN       CYS  26   2.095   3.706  10.888
  191    HA   CYS  26           HA       CYS  26  -0.054   3.244  10.562
  192   1HB   CYS  26          2HB       CYS  26  -0.735   4.163  13.304
  193   2HB   CYS  26          3HB       CYS  26  -1.100   2.652  12.495
  194    H    ASP  27           HN       ASP  27  -2.258   4.616  12.262
  195    HA   ASP  27           HA       ASP  27  -3.813   6.059  11.667
  196   1HB   ASP  27          2HB       ASP  27  -1.452   7.959  12.055
  197   2HB   ASP  27          3HB       ASP  27  -3.136   8.436  12.125
  198    H    ALA  28           HN       ALA  28  -2.317   4.989   9.330
  199    HA   ALA  28           HA       ALA  28  -2.471   7.321   7.546
  200   1HB   ALA  28          1HB       ALA  28  -0.969   5.245   6.328
  201   2HB   ALA  28          2HB       ALA  28  -0.371   6.806   6.939
  202   3HB   ALA  28          3HB       ALA  28  -0.376   5.378   8.001
  203    H    CYS  29           HN       CYS  29  -2.651   3.685   7.523
  204    HA   CYS  29           HA       CYS  29  -4.899   3.989   5.671
  205   1HB   CYS  29          2HB       CYS  29  -4.025   1.327   5.601
  206   2HB   CYS  29          3HB       CYS  29  -3.866   2.552   4.357
  207    H    HIS  30           HN       HIS  30  -4.281   3.724   8.867
  208    HA   HIS  30           HA       HIS  30  -6.407   1.749   9.278
  209   1HB   HIS  30          2HB       HIS  30  -4.002   2.408  10.993
  210   2HB   HIS  30          3HB       HIS  30  -5.368   1.478  11.576
  211    HD1  HIS  30           HD1      HIS  30  -5.871  -0.828  10.171
  212    HD2  HIS  30           HD2      HIS  30  -2.100   0.935   9.657
  213    HE1  HIS  30           HE1      HIS  30  -4.369  -2.633   9.172
  214    H    GLU  31           HN       GLU  31  -7.386   2.225  11.679
  215    HA   GLU  31           HA       GLU  31  -7.447   4.830  12.558
  216   1HB   GLU  31          2HB       GLU  31  -8.615   5.003  10.206
  217   2HB   GLU  31          3HB       GLU  31  -9.987   4.262  11.006
  218   1HG   GLU  31          2HG       GLU  31  -9.757   6.105  12.807
  219   2HG   GLU  31          3HG       GLU  31  -8.633   6.897  11.721
  220    H    GLY  32           HN       GLY  32  -8.064   4.584  14.662
  221   1HA   GLY  32          1HA       GLY  32  -8.903   3.607  16.511
  222   2HA   GLY  32          2HA       GLY  32 -10.403   3.547  15.606
  223    H    THR  33           HN       THR  33  -7.549   1.734  16.676
  224    HA   THR  33           HA       THR  33  -7.213  -0.453  16.927
  225    HB   THR  33           HB       THR  33 -10.085  -0.880  15.965
  226    HG1  THR  33           HG1      THR  33  -9.037  -0.407  18.655
  227   1HG2  THR  33          1HG       THR  33  -9.185  -3.025  16.426
  228   2HG2  THR  33          2HG       THR  33  -8.085  -2.396  17.676
  229   3HG2  THR  33          3HG       THR  33  -9.825  -2.549  18.018
  230    HA   PRO  34           HA       PRO  34  -6.062  -1.061  12.744
  231   1HB   PRO  34          2HB       PRO  34  -3.659  -2.253  13.266
  232   2HB   PRO  34          3HB       PRO  34  -3.855  -0.518  13.113
  233   1HG   PRO  34          2HG       PRO  34  -3.475  -2.131  15.561
  234   2HG   PRO  34          3HG       PRO  34  -3.250  -0.408  15.336
  235   1HD   PRO  34          2HD       PRO  34  -5.466  -1.696  16.624
  236   2HD   PRO  34          3HD       PRO  34  -5.295   0.018  16.295
  237    H    ALA  35           HN       ALA  35  -6.831  -2.572  11.413
  238    HA   ALA  35           HA       ALA  35  -6.573  -5.316  12.385
  239   1HB   ALA  35          1HB       ALA  35  -8.771  -5.058  13.035
  240   2HB   ALA  35          2HB       ALA  35  -9.093  -3.785  11.833
  241   3HB   ALA  35          3HB       ALA  35  -9.025  -5.490  11.327
  242    H    LYS  36           HN       LYS  36  -7.631  -6.736  10.361
  243    HA   LYS  36           HA       LYS  36  -5.806  -6.210   8.248
  244   1HB   LYS  36          2HB       LYS  36  -6.397  -8.309   7.446
  245   2HB   LYS  36          3HB       LYS  36  -6.620  -8.472   9.176
  246   1HG   LYS  36          2HG       LYS  36  -8.643  -9.357   8.450
  247   2HG   LYS  36          3HG       LYS  36  -9.111  -7.676   8.621
  248   1HD   LYS  36          2HD       LYS  36  -9.880  -8.062   6.462
  249   2HD   LYS  36          3HD       LYS  36  -8.262  -7.502   6.091
  250   1HE   LYS  36          2HE       LYS  36  -7.918  -9.463   4.999
  251   2HE   LYS  36          3HE       LYS  36  -7.928 -10.265   6.558
  252   1HZ   LYS  36          1HZ       LYS  36 -10.004 -10.122   4.576
  253   2HZ   LYS  36          2HZ       LYS  36  -9.654 -11.315   5.635
  254   3HZ   LYS  36          3HZ       LYS  36 -10.513 -10.016   6.124
  255    H    ILE  37           HN       ILE  37  -6.111  -4.547   6.859
  256    HA   ILE  37           HA       ILE  37  -8.642  -3.422   6.384
  257    HB   ILE  37           HB       ILE  37  -6.030  -3.170   4.889
  258   1HG1  ILE  37          2HG       ILE  37  -7.181  -1.193   6.853
  259   2HG1  ILE  37          3HG       ILE  37  -6.207  -2.543   7.401
  260   1HG2  ILE  37          1HG