*HEADER    TRANSFERASE                             07-MAR-01   1H9C
*TITLE     NMR STRUCTURE OF CYSTEINYL-PHOSPHORYLATED ENZYME IIB OF THE
*TITLE    2 N,N'-DIACETYLCHITOBIOSE SPECIFIC
*TITLE    3 PHOSPHOENOLPYRUVATE-DEPENDENT PHOSPHOTRANSFERASE SYSTEM OF
*TITLE    4 ESCHERICHIA COLI.
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: PTS SYSTEM, CHITOBIOSE-SPECIFIC IIB COMPONENT;
*COMPND   3 CHAIN: A;
*COMPND   4 SYNONYM: EIIB-CEL, EIIB-CHB;
*COMPND   5 EC: 2.7.1.69;
*COMPND   6 ENGINEERED: YES;
*COMPND   9 OTHER_DETAILS: PHOSPHORYLATION AT RESIDUE CYS10
*SOURCE    MOL_ID: 1;
*SOURCE   2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;
*SOURCE   3 STRAIN: W3110;
*SOURCE   4 CELLULAR_LOCATION: CYTOPLASM;
*SOURCE   5 PLASMID: PJR-BLIIB;
*SOURCE   6 GENE: CHBB [PREV CELA];
*SOURCE   7 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: W3110;
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
*SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PJR-BLIIB
*KEYWDS    ENZYME IIB-CHITOBIOSE, PHOSPHOTRANSFERASE SYSTEM,
*KEYWDS   2 TRANSFERASE, SUGAR TRANSPORT, PHOSPHORYLATION,
*KEYWDS   3 IIB-CELLOBIOSE
*EXPDTA    NMR, 9 STRUCTURES
*AUTHOR    E.AB,G.SCHUURMAN-WOLTERS,D.NIJLANT,K.DIJKSTRA,M.H.SAIER,
*AUTHOR   2 G.T.ROBILLARD,R.M.SCHEEK
*REVDAT   1   21-MAY-01 1H9C    0




  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           H1       MET   1  -9.311  16.176   9.885
    2    H2   MET   1           H2       MET   1  -9.685  17.036  11.221
    3    H3   MET   1           H3       MET   1  -8.504  17.542  10.218
    4    HA   MET   1           HA       MET   1  -7.436  16.569  12.112
    5   1HB   MET   1          1HB       MET   1  -9.616  15.062  12.414
    6   2HB   MET   1          2HB       MET   1  -8.793  13.987  11.288
    7   1HG   MET   1          1HG       MET   1  -7.514  14.955  13.854
    8   2HG   MET   1          2HG       MET   1  -8.477  13.470  13.737
    9   1HE   MET   1          1HE       MET   1  -5.081  15.070  13.442
   10   2HE   MET   1          2HE       MET   1  -5.343  13.850  14.715
   11   3HE   MET   1          3HE       MET   1  -4.134  13.565  13.439
   12    H    GLU   2           H        GLU   2  -5.293  16.059  11.442
   13    HA   GLU   2           HA       GLU   2  -4.729  15.849   8.695
   14   1HB   GLU   2          1HB       GLU   2  -3.386  16.955  10.483
   15   2HB   GLU   2          2HB       GLU   2  -3.089  15.371  11.207
   16   1HG   GLU   2          1HG       GLU   2  -1.140  16.051   9.966
   17   2HG   GLU   2          2HG       GLU   2  -1.872  14.646   9.176
   18    H    LYS   3           H        LYS   3  -4.899  13.955   7.452
   19    HA   LYS   3           HA       LYS   3  -4.186  11.527   8.751
   20   1HB   LYS   3          1HB       LYS   3  -6.799  11.934   7.230
   21   2HB   LYS   3          2HB       LYS   3  -6.063  10.335   7.413
   22   1HG   LYS   3          1HG       LYS   3  -6.133  11.270  10.027
   23   2HG   LYS   3          2HG       LYS   3  -7.657  11.895   9.365
   24   1HD   LYS   3          1HD       LYS   3  -8.151   9.615   8.463
   25   2HD   LYS   3          2HD       LYS   3  -6.702   9.006   9.281
   26   1HE   LYS   3          1HE       LYS   3  -8.415   8.456  10.788
   27   2HE   LYS   3          2HE       LYS   3  -7.830  10.005  11.441
   28   1HZ   LYS   3          1HZ       LYS   3  -9.596  11.072  10.237
   29   2HZ   LYS   3          2HZ       LYS   3 -10.133   9.632   9.682
   30   3HZ   LYS   3          3HZ       LYS   3 -10.186   9.952  11.278
   31    H    LYS   4           H        LYS   4  -3.125  10.204   7.436
   32    HA   LYS   4           HA       LYS   4  -2.626  11.170   4.698
   33   1HB   LYS   4          1HB       LYS   4  -0.962   9.776   6.743
   34   2HB   LYS   4          2HB       LYS   4  -0.653   9.353   5.056
   35   1HG   LYS   4          1HG       LYS   4   0.865  11.056   5.668
   36   2HG   LYS   4          2HG       LYS   4  -0.303  11.800   4.570
   37   1HD   LYS   4          1HD       LYS   4  -1.487  12.785   6.502
   38   2HD   LYS   4          2HD       LYS   4  -0.317  12.035   7.601
   39   1HE   LYS   4          1HE       LYS   4   0.361  14.297   7.347
   40   2HE   LYS   4          2HE       LYS   4   1.496  13.349   6.375
   41   1HZ   LYS   4          1HZ       LYS   4   0.120  13.919   4.448
   42   2HZ   LYS   4          2HZ       LYS   4  -0.810  14.857   5.414
   43   3HZ   LYS   4          3HZ       LYS   4   0.744  15.245   5.183
   44    H    HIS   5           H        HIS   5  -2.591   9.791   2.947
   45    HA   HIS   5           HA       HIS   5  -4.325   7.465   3.217
   46   1HB   HIS   5          1HB       HIS   5  -3.743   9.360   0.906
   47   2HB   HIS   5          2HB       HIS   5  -4.675   7.868   0.711
   48    HD2  HIS   5           HD2      HIS   5  -4.898  11.485   1.943
   49    HE1  HIS   5           HE1      HIS   5  -8.696   9.819   2.477
   50    HE2  HIS   5           HE2      HIS   5  -7.363  11.986   2.472
   51    H    ILE   6           H        ILE   6  -3.507   5.553   3.112
   52    HA   ILE   6           HA       ILE   6  -1.105   4.960   1.497
   53    HB   ILE   6           HB       ILE   6  -2.101   3.665   4.053
   54   1HG1  ILE   6          1HG1      ILE   6   0.453   5.274   3.675
   55   2HG1  ILE   6          2HG1      ILE   6  -1.053   5.963   4.284
   56   1HG2  ILE   6          1HG2      ILE   6   0.370   3.104   2.359
   57   2HG2  ILE   6          2HG2      ILE   6   0.010   2.367   3.941
   58   3HG2  ILE   6          3HG2      ILE   6  -1.052   2.061   2.552
   59   1HD1  ILE   6          1HD1      ILE   6  -1.005   4.429   6.206
   60   2HD1  ILE   6          2HD1      ILE   6   0.503   3.707   5.584
   61   3HD1  ILE   6          3HD1      ILE   6   0.476   5.408   6.101
   62    H    TYR   7           H        TYR   7  -1.994   4.233  -0.341
   63    HA   TYR   7           HA       TYR   7  -4.240   2.322  -0.145
   64   1HB   TYR   7          1HB       TYR   7  -3.414   4.033  -2.500
   65   2HB   TYR   7          2HB       TYR   7  -4.717   2.862  -2.507
   66    HD1  TYR   7           HD1      TYR   7  -4.895   5.645  -3.334
   67    HD2  TYR   7           HD2      TYR   7  -5.674   3.856   0.525
   68    HE1  TYR   7           HE1      TYR   7  -6.510   7.425  -2.812
   69    HE2  TYR   7           HE2      TYR   7  -7.379   5.519   0.949
   70    HH   TYR   7           HH       TYR   7  -8.128   7.571   0.300
   71    H    LEU   8           H        LEU   8  -4.099   0.354  -0.762
   72    HA   LEU   8           HA       LEU   8  -1.545  -0.660  -1.838
   73   1HB   LEU   8          1HB       LEU   8  -3.621  -1.835   0.029
   74   2HB   LEU   8          2HB       LEU   8  -2.512  -2.876  -0.883
   75    HG   LEU   8           HG       LEU   8  -0.672  -1.298   0.253
   76   1HD1  LEU   8          1HD1      LEU   8  -3.070  -0.888   2.020
   77   2HD1  LEU   8          2HD1      LEU   8  -1.365  -0.491   2.440
   78   3HD1  LEU   8          3HD1      LEU   8  -2.179   0.355   1.093
   79   1HD2  LEU   8          1HD2      LEU   8  -2.309  -3.332   1.836
   80   2HD2  LEU   8          2HD2      LEU   8  -0.955  -3.720   0.749
   81   3HD2  LEU   8          3HD2      LEU   8  -0.665  -2.786   2.231
   82    H    PHE   9           H        PHE   9  -1.459  -1.807  -3.589
   83    HA   PHE   9           HA       PHE   9  -3.954  -2.527  -4.983
   84   1HB   PHE   9          1HB       PHE   9  -1.484  -1.136  -6.102
   85   2HB   PHE   9          2HB       PHE   9  -2.733  -1.847  -7.110
   86    HD1  PHE   9           HD1      PHE   9  -1.970   0.842  -4.668
   87    HD2  PHE   9           HD2      PHE   9  -4.966  -0.793  -7.274
   88    HE1  PHE   9           HE1      PHE   9  -3.108   3.017  -4.720
   89    HE2  PHE   9           HE2      PHE   9  -6.177   1.341  -7.206
   90    HZ   PHE   9           HZ       PHE   9  -5.156   3.288  -6.108
   91    H    SER  11           H        SER  11  -3.266  -8.082  -7.861
   92    HA   SER  11           HA       SER  11  -4.686  -6.971  -9.915
   93   1HB   SER  11          1HB       SER  11  -4.834  -9.863  -8.918
   94   2HB   SER  11          2HB       SER  11  -5.133  -9.307 -10.569
   95    HG   SER  11           HG       SER  11  -3.078  -9.698 -10.837
   96    H    ALA  12           H        ALA  12  -6.076  -8.766  -7.109
   97    HA   ALA  12           HA       ALA  12  -8.732  -7.925  -8.079
   98   1HB   ALA  12          1HB       ALA  12  -8.351 -10.319  -7.819
   99   2HB   ALA  12          2HB       ALA  12  -7.918 -10.099  -6.107
  100   3HB   ALA  12          3HB       ALA  12  -9.580  -9.759  -6.667
  101    H    GLY  13           H        GLY  13  -6.600  -7.304  -5.349
  102   1HA   GLY  13          1HA       GLY  13  -8.629  -5.628  -4.170
  103   2HA   GLY  13          2HA       GLY  13  -6.898  -5.682  -3.796
  104    H    MET  14           H        MET  14  -7.849  -8.887  -3.517
  105    HA   MET  14           HA       MET  14  -9.204  -8.412  -0.971
  106   1HB   MET  14          1HB       MET  14 -10.212 -10.636  -1.184
  107   2HB   MET  14          2HB       MET  14 -10.616  -9.549  -2.508
  108   1HG   MET  14          1HG       MET  14  -9.181 -10.705  -4.028
  109   2HG   MET  14          2HG       MET  14  -8.434 -11.642  -2.708
  110   1HE   MET  14          1HE       MET  14  -8.837 -13.974  -3.688
  111   2HE   MET  14          2HE       MET  14 -10.339 -14.512  -4.478
  112   3HE   MET  14          3HE       MET  14  -9.383 -13.190  -5.192
  113    H    SER  15           H        SER  15  -6.463 -10.507  -2.135
  114    HA   SER  15           HA       SER  15  -6.140 -11.764   0.335
  115   1HB   SER  15          1HB       SER  15  -4.036 -11.208  -1.788
  116   2HB   SER  15          2HB       SER  15  -3.907 -12.378  -0.469
  117    HG   SER  15           HG       SER  15  -4.641 -13.463  -2.347
  118    H    THR  16           H        THR  16  -4.939  -8.618  -0.799
  119    HA   THR  16           HA       THR  16  -3.056  -7.995   1.207
  120    HB   THR  16           HB       THR  16  -3.864  -5.640   0.557
  121    HG1  THR  16           HG1      THR  16  -5.100  -5.871  -1.588
  122   1HG2  THR  16          1HG2      THR  16  -2.795  -7.506  -1.588
  123   2HG2  THR  16          2HG2      THR  16  -2.740  -5.718  -1.639
  124   3HG2  THR  16          3HG2      THR  16  -1.842  -6.595  -0.379
  125    H    SER  17           H        SER  17  -6.562  -8.214   1.382
  126    HA   SER  17           HA       SER  17  -7.228  -6.168   3.006
  127   1HB   SER  17          1HB       SER  17  -9.205  -7.430   3.587
  128   2HB   SER  17          2HB       SER  17  -8.745  -7.839   1.912
  129    HG   SER  17           HG       SER  17  -8.968  -9.835   2.727
  130    H    LEU  18           H        LEU  18  -6.079  -9.373   4.078
  131    HA   LEU  18           HA       LEU  18  -6.352  -8.871   6.818
  132   1HB   LEU  18          1HB       LEU  18  -6.153 -11.157   5.992
  133   2HB   LEU  18          2HB       LEU  18  -4.516 -10.849   5.379
  134    HG   LEU  18           HG       LEU  18  -3.812 -10.349   7.656
  135   1HD1  LEU  18          1HD1      LEU  18  -6.521 -11.538   8.426
  136   2HD1  LEU  18          2HD1      LEU  18  -5.184 -11.293   9.567
  137   3HD1  LEU  18          3HD1      LEU  18  -5.945  -9.892   8.786
  138   1HD2  LEU  18          1HD2      LEU  18  -4.943 -13.134   7.121
  139   2HD2  LEU  18          2HD2      LEU  18  -3.335 -12.533   6.648
  140   3HD2  LEU  18          3HD2      LEU  18  -3.729 -12.780   8.365
  141    H    LEU  19           H        LEU  19  -3.399  -8.441   4.777
  142    HA   LEU  19           HA       LEU  19  -1.810  -7.412   6.792
  143   1HB   LEU  19          1HB       LEU  19  -1.059  -7.994   4.453
  144   2HB   LEU  19          2HB       LEU  19  -1.935  -6.591   3.850
  145    HG   LEU  19           HG       LEU  19  -0.526  -5.158   5.367
  146   1HD1  LEU  19          1HD1      LEU  19   1.129  -7.698   5.626
  147   2HD1  LEU  19          2HD1      LEU  19   1.650  -6.070   6.126
  148   3HD1  LEU  19          3HD1      LEU  19   0.281  -6.856   6.942
  149   1HD2  LEU  19          1HD2      LEU  19  -0.100  -5.330   2.954
  150   2HD2  LEU  19          2HD2      LEU  19   1.434  -5.204   3.841
  151   3HD2  LEU  19          3HD2      LEU  19   0.892  -6.786   3.225
  152    H    VAL  20           H        VAL  20  -4.145  -5.669   4.700
  153    HA   VAL  20           HA       VAL  20  -3.780  -3.082   5.674
  154    HB   VAL  20           HB       VAL  20  -6.184  -4.578   4.643
  155   1HG1  VAL  20          1HG1      VAL  20  -5.913  -1.559   4.976
  156   2HG1  VAL  20          2HG1      VAL  20  -7.217  -2.387   4.087
  157   3HG1  VAL  20          3HG1      VAL  20  -7.042  -2.631   5.838
  158   1HG2  VAL  20          1HG2      VAL  20  -4.279  -2.573   3.351
  159   2HG2  VAL  20          2HG2      VAL  20  -4.341  -4.322   3.013
  160   3HG2  VAL  20          3HG2      VAL  20  -5.706  -3.276   2.546
  161    H    SER  21           H        SER  21  -6.161  -5.605   6.735
  162    HA   SER  21           HA       SER  21  -7.301  -4.335   8.751
  163   1HB   SER  21          1HB       SER  21  -7.996  -6.521   7.909
  164   2HB   SER  21          2HB       SER  21  -6.530  -7.281   8.561
  165    HG   SER  21           HG       SER  21  -8.551  -7.493   9.904
  166    H    LYS  22           H        LYS  22  -4.295  -6.290   8.986
  167    HA   LYS  22           HA       LYS  22  -3.851  -5.881  11.766
  168   1HB   LYS  22          1HB       LYS  22  -1.915  -6.596   9.520
  169   2HB   LYS  22          2HB       LYS  22  -1.500  -6.592  11.228
  170   1HG   LYS  22          1HG       LYS  22  -3.249  -8.355  11.657
  171   2HG   LYS  22          2HG       LYS  22  -3.481  -8.461   9.833
  172   1HD   LYS  22          1HD       LYS  22  -1.018  -8.919   9.856
  173   2HD   LYS  22          2HD       LYS  22  -1.248  -8.830  11.679
  174   1HE   LYS  22          1HE       LYS  22  -2.728 -10.861   9.955
  175   2HE   LYS  22          2HE       LYS  22  -1.187 -11.239  10.743
  176   1HZ   LYS  22          1HZ       LYS  22  -3.584 -10.264  12.103
  177   2HZ   LYS  22          2HZ       LYS  22  -3.091 -11.820  12.070
  178   3HZ   LYS  22          3HZ       LYS  22  -2.179 -10.688  12.817
  179    H    MET  23           H        MET  23  -2.649  -4.138   8.885
  180    HA   MET  23           HA       MET  23  -0.944  -2.352  10.228
  181   1HB   MET  23          1HB       MET  23  -2.587  -2.001   7.681
  182   2HB   MET  23          2HB       MET  23  -1.435  -0.809   8.299
  183   1HG   MET  23          1HG       MET  23   0.423  -2.291   7.951
  184   2HG   MET  23          2HG       MET  23  -0.643  -3.649   7.571
  185   1HE   MET  23          1HE       MET  23   1.190  -0.480   6.210
  186   2HE   MET  23          2HE       MET  23   0.346  -0.150   4.693
  187   3HE   MET  23          3HE       MET  23  -0.468   0.174   6.237
  188    H    ARG  24           H        ARG  24  -4.435  -2.135   9.448
  189    HA   ARG  24           HA       ARG  24  -4.909   0.394  10.571
  190   1HB   ARG  24          1HB       ARG  24  -6.661  -2.039  10.111
  191   2HB   ARG  24          2HB       ARG  24  -7.296  -0.597  10.897
  192   1HG   ARG  24          1HG       ARG  24  -6.596   0.723   8.862
  193   2HG   ARG  24          2HG       ARG  24  -6.253  -0.811   8.052
  194   1HD   ARG  24          1HD       ARG  24  -8.613  -1.570   8.518
  195   2HD   ARG  24          2HD       ARG  24  -8.937  -0.046   9.310
  196    HE   ARG  24           HE       ARG  24  -8.492   0.969   7.013
  197   1HH1  ARG  24          1HH1      ARG  24  -9.466  -2.418   7.235
  198   2HH1  ARG  24          2HH1      ARG  24 -10.291  -2.404   5.714
  199   1HH2  ARG  24          1HH2      ARG  24  -9.906   1.037   5.184
  200   2HH2  ARG  24          2HH2      ARG  24 -10.552  -0.423   4.561
  201    H    ALA  25           H        ALA  25  -5.263  -2.907  12.080
  202    HA   ALA  25           HA       ALA  25  -6.168  -1.985  14.503
  203   1HB   ALA  25          1HB       ALA  25  -6.248  -4.338  13.725
  204   2HB   ALA  25          2HB       ALA  25  -4.478  -4.431  13.769
  205   3HB   ALA  25          3HB       ALA  25  -5.396  -4.280  15.290
  206    H    GLN  26           H        GLN  26  -2.817  -2.299  13.383
  207    HA   GLN  26           HA       GLN  26  -1.712  -1.580  15.982
  208   1HB   GLN  26          1HB       GLN  26  -0.419  -1.725  13.227
  209   2HB   GLN  26          2HB       GLN  26   0.445  -1.534  14.746
  210   1HG   GLN  26          1HG       GLN  26  -1.159  -3.980  13.921
  211   2HG   GLN  26          2HG       GLN  26   0.589  -3.836  13.887
  212   2HE2  GLN  26          2HE2      GLN  26  -0.933  -5.902  15.357
  213   1HE2  GLN  26          1HE2      GLN  26  -0.463  -5.613  17.017
  214    H    ALA  27           H        ALA  27  -2.583   0.164  12.991
  215    HA   ALA  27           HA       ALA  27  -1.434   2.646  13.707
  216   1HB   ALA  27          1HB       ALA  27  -2.295   2.084  11.427
  217   2HB   ALA  27          2HB       ALA  27  -3.935   1.966  12.107
  218   3HB   ALA  27          3HB       ALA  27  -3.095   3.534  12.072
  219    H    GLU  28           H        GLU  28  -4.592   1.110  14.540
  220    HA   GLU  28           HA       GLU  28  -5.650   3.277  15.951
  221   1HB   GLU  28          1HB       GLU  28  -6.012   0.292  16.025
  222   2HB   GLU  28          2HB       GLU  28  -6.969   1.366  17.076
  223   1HG   GLU  28          1HG       GLU  28  -6.865   1.439  14.023
  224   2HG   GLU  28          2HG       GLU  28  -8.127   0.648  14.986
  225    H    LYS  29           H        LYS  29  -3.769   0.406  16.990
  226    HA   LYS  29           HA       LYS  29  -3.757   0.847  19.745
  227   1HB   LYS  29          1HB       LYS  29  -3.134  -1.238  18.458
  228   2HB   LYS  29          2HB       LYS  29  -1.617  -0.465  18.033
  229   1HG   LYS  29          1HG       LYS  29  -1.132  -0.166  20.494
  230   2HG   LYS  29          2HG       LYS  29  -2.600  -1.086  20.862
  231   1HD   LYS  29          1HD       LYS  29  -1.674  -3.042  19.684
  232   2HD   LYS  29          2HD       LYS  29  -0.201  -2.112  19.301
  233   1HE   LYS  29          1HE       LYS  29   0.292  -3.507  21.212
  234   2HE   LYS  29          2HE       LYS  29   0.168  -1.841  21.804
  235   1HZ   LYS  29          1HZ       LYS  29  -1.950  -3.845  21.923
  236   2HZ   LYS  29          2HZ       LYS  29  -1.024  -3.347  23.176
  237   3HZ   LYS  29          3HZ       LYS  29  -2.061  -2.306  22.464
  238    H    TYR  30           H        TYR  30  -1.468   1.946  17.237
  239    HA   TYR  30           HA       TYR  30   0.053   3.444  19.242
  240   1HB   TYR  30          1HB       TYR  30   0.630   2.707  16.351
  241   2HB   TYR  30          2HB       TYR  30   1.734   3.593  17.381
  242    HD1  TYR  30           HD1      TYR  30   1.692   1.992  19.950
  243    HD2  TYR  30           HD2      TYR  30   1.353   0.673  15.859
  244    HE1  TYR  30           HE1      TYR  30   2.358  -0.249  20.617
  245    HE2  TYR  30           HE2      TYR  30   2.174  -1.525  16.488
  246    HH   TYR  30           HH       TYR  30   2.386  -2.895  18.181
  247    H    GLU  31           H        GLU  31  -2.599   4.316  18.103
  248    HA   GLU  31           HA       GLU  31  -3.611   5.931  17.054
  249   1HB   GLU  31          1HB       GLU  31  -3.428   8.009  18.363
  250   2HB   GLU  31          2HB       GLU  31  -3.551   6.531  19.328
  251   1HG   GLU  31          1HG       GLU  31  -1.139   6.565  19.718
  252   2HG   GLU  31          2HG       GLU  31  -1.001   8.081  18.804
  253    H    VAL  32           H        VAL  32  -2.203   5.372  15.148
  254    HA   VAL  32           HA       VAL  32  -0.820   7.723  14.033
  255    HB   VAL  32           HB       VAL  32  -1.169   4.957  12.871
  256   1HG1  VAL  32          1HG1      VAL  32  -0.603   6.717  11.224
  257   2HG1  VAL  32          2HG1      VAL  32   0.783   7.213  12.219
  258   3HG1  VAL  32          3HG1      VAL  32   0.776   5.614  11.442
  259   1HG2  VAL  32          1HG2      VAL  32   1.215   6.010  14.433
  260   2HG2  VAL  32          2HG2      VAL  32   0.111   4.694  14.911
  261   3HG2  VAL  32          3HG2      VAL  32   1.171   4.492  13.499
  262    HA   PRO  33           HA       PRO  33  -4.860   8.233  12.200
  263   1HB   PRO  33          1HB       PRO  33  -4.678  10.890  11.511
  264   2HB   PRO  33          2HB       PRO  33  -4.959  10.364  13.186
  265   1HG   PRO  33          1HG       PRO  33  -2.329  11.166  11.854
  266   2HG   PRO  33          2HG       PRO  33  -2.948  11.630  13.465
  267   1HD   PRO  33          1HD       PRO  33  -1.134   9.605  13.102
  268   2HD   PRO  33          2HD       PRO  33  -2.330   9.582  14.422
  269    H    VAL  34           H        VAL  34  -4.344   6.769  10.605
  270    HA   VAL  34           HA       VAL  34  -4.000   7.950   7.916
  271    HB   VAL  34           HB       VAL  34  -2.744   5.950   7.260
  272   1HG1  VAL  34          1HG1      VAL  34  -1.451   7.776   9.300
  273   2HG1  VAL  34          2HG1      VAL  34  -0.571   6.739   8.147
  274   3HG1  VAL  34          3HG1      VAL  34  -1.615   8.047   7.547
  275   1HG2  VAL  34          1HG2      VAL  34  -2.427   5.499  10.259
  276   2HG2  VAL  34          2HG2      VAL  34  -3.181   4.388   9.096
  277   3HG2  VAL  34          3HG2      VAL  34  -1.442   4.720   9.001
  278    H    ILE  35           H        ILE  35  -4.873   6.984   6.239
  279    HA   ILE  35           HA       ILE  35  -7.034   5.036   6.773
  280    HB   ILE  35           HB       ILE  35  -6.781   7.171   4.627
  281   1HG1  ILE  35          1HG1      ILE  35  -8.900   6.780   6.754
  282   2HG1  ILE  35          2HG1      ILE  35  -7.495   7.829   6.977
  283   1HG2  ILE  35          1HG2      ILE  35  -7.773   5.111   3.701
  284   2HG2  ILE  35          2HG2      ILE  35  -8.949   5.068   5.034
  285   3HG2  ILE  35          3HG2      ILE  35  -9.004   6.390   3.844
  286   1HD1  ILE  35          1HD1      ILE  35  -8.263   9.237   5.066
  287   2HD1  ILE  35          2HD1      ILE  35  -9.677   8.171   4.889
  288   3HD1  ILE  35          3HD1      ILE  35  -9.477   9.131   6.364
  289    H    ILE  36           H        ILE  36  -6.515   3.117   6.253
  290    HA   ILE  36           HA       ILE  36  -4.680   2.637   3.983
  291    HB   ILE  36           HB       ILE  36  -5.147   0.855   6.402
  292   1HG1  ILE  36          1HG1      ILE  36  -2.661   2.551   6.046
  293   2HG1  ILE  36          2HG1      ILE  36  -4.119   3.187   6.827
  294   1HG2  ILE  36          1HG2      ILE  36  -2.986   0.875   4.243
  295   2HG2  ILE  36          2HG2      ILE  36  -3.032  -0.216   5.647
  296   3HG2  ILE  36          3HG2      ILE  36  -4.312  -0.287   4.412
  297   1HD1  ILE  36          1HD1      ILE  36  -4.040   1.365   8.496
  298   2HD1  ILE  36          2HD1      ILE  36  -2.580   0.722   7.693
  299   3HD1  ILE  36          3HD1      ILE  36  -2.543   2.318   8.491
  300    H    GLU  37           H        GLU  37  -5.639   1.770   2.287
  301    HA   GLU  37           HA       GLU  37  -7.893  -0.105   2.539
  302   1HB   GLU  37          1HB       GLU  37  -7.881   2.443   0.898
  303   2HB   GLU  37          2HB       GLU  37  -9.043   1.129   0.686
  304   1HG   GLU  37          1HG       GLU  37  -9.853   1.432   3.017
  305   2HG   GLU  37          2HG       GLU  37  -8.732   2.792   3.211
  306    H    ALA  38           H        ALA  38  -8.231  -1.411   0.819
  307    HA   ALA  38           HA       ALA  38  -5.964  -1.605  -1.064
  308   1HB   ALA  38          1HB       ALA  38  -7.689  -3.835   0.119
  309   2HB   ALA  38          2HB       ALA  38  -6.382  -4.058  -1.068
  310   3HB   ALA  38          3HB       ALA  38  -6.005  -3.475   0.563
  311    H    PHE  39           H        PHE  39  -6.297  -1.880  -3.151
  312    HA   PHE  39           HA       PHE  39  -9.022  -1.989  -4.230
  313   1HB   PHE  39          1HB       PHE  39  -6.847   0.032  -4.905
  314   2HB   PHE  39          2HB       PHE  39  -8.365  -0.127  -5.782
  315    HD1  PHE  39           HD1      PHE  39 -10.548   0.330  -4.625
  316    HD2  PHE  39           HD2      PHE  39  -6.776   1.299  -2.801
  317    HE1  PHE  39           HE1      PHE  39 -11.642   2.065  -3.254
  318    HE2  PHE  39           HE2      PHE  39  -7.862   3.097  -1.526
  319    HZ   PHE  39           HZ       PHE  39 -10.303   3.366  -1.645
  320    HA   PRO  40           HA       PRO  40  -6.857  -4.331  -7.441
  321   1HB   PRO  40          1HB       PRO  40  -8.592  -3.857  -9.579
  322   2HB   PRO  40          2HB       PRO  40  -8.767  -5.195  -8.404
  323   1HG   PRO  40          1HG       PRO  40 -10.178  -2.556  -8.545
  324   2HG   PRO  40          2HG       PRO  40 -10.759  -4.157  -7.972
  325   1HD   PRO  40          1HD       PRO  40 -10.062  -2.147  -6.231
  326   2HD   PRO  40          2HD       PRO  40  -9.870  -3.868  -5.819
  327    H    GLU  41           H        GLU  41  -5.760  -4.033  -9.441
  328    HA   GLU  41           HA       GLU  41  -4.242  -1.668  -9.381
  329   1HB   GLU  41          1HB       GLU  41  -2.894  -2.784 -10.982
  330   2HB   GLU  41          2HB       GLU  41  -3.520  -4.089  -9.973
  331   1HG   GLU  41          1HG       GLU  41  -4.466  -3.359 -12.723
  332   2HG   GLU  41          2HG       GLU  41  -3.360  -4.687 -12.186
  333    H    THR  42           H        THR  42  -6.933  -2.588 -11.420
  334    HA   THR  42           HA       THR  42  -6.780  -0.833 -13.510
  335    HB   THR  42           HB       THR  42  -9.284  -0.840 -13.434
  336    HG1  THR  42           HG1      THR  42 -10.117  -2.384 -11.726
  337   1HG2  THR  42          1HG2      THR  42  -8.081  -2.663 -14.556
  338   2HG2  THR  42          2HG2      THR  42  -8.004  -3.572 -13.026
  339   3HG2  THR  42          3HG2      THR  42  -9.573  -3.258 -13.788
  340    H    LEU  43           H        LEU  43  -7.654  -0.082 -10.215
  341    HA   LEU  43           HA       LEU  43  -8.420   2.647 -10.952
  342   1HB   LEU  43          1HB       LEU  43  -8.566   1.080  -8.363
  343   2HB   LEU  43          2HB       LEU  43  -9.122   2.759  -8.503
  344    HG   LEU  43           HG       LEU  43 -10.230   0.457 -10.154
  345   1HD1  LEU  43          1HD1      LEU  43 -11.354   1.807  -7.677
  346   2HD1  LEU  43          2HD1      LEU  43 -12.201   0.628  -8.710
  347   3HD1  LEU  43          3HD1      LEU  43 -10.761   0.130  -7.798
  348   1HD2  LEU  43          1HD2      LEU  43 -10.493   2.679 -11.229
  349   2HD2  LEU  43          2HD2      LEU  43 -12.047   2.024 -10.683
  350   3HD2  LEU  43          3HD2      LEU  43 -11.255   3.306  -9.748
  351    H    ALA  44           H        ALA  44  -5.561   1.400 -10.624
  352    HA   ALA  44           HA       ALA  44  -4.212   2.801  -8.687
  353   1HB   ALA  44          1HB       ALA  44  -3.245   2.028 -11.484
  354   2HB   ALA  44          2HB       ALA  44  -2.173   2.414 -10.115
  355   3HB   ALA  44          3HB       ALA  44  -3.208   0.966 -10.068
  356    H    GLY  45           H        GLY  45  -4.995   3.961 -12.006
  357   1HA   GLY  45          1HA       GLY  45  -5.025   6.037 -12.872
  358   2HA   GLY  45          2HA       GLY  45  -3.676   6.461 -11.782
  359    H    GLU  46           H        GLU  46  -7.110   5.529 -11.381
  360    HA   GLU  46           HA       GLU  46  -8.050   8.110 -11.019
  361   1HB   GLU  46          1HB       GLU  46  -9.241   5.999 -11.772
  362   2HB   GLU  46          2HB       GLU  46  -9.223   5.448 -10.093
  363   1HG   GLU  46          1HG       GLU  46 -10.522   7.508  -9.450
  364   2HG   GLU  46          2HG       GLU  46 -10.701   7.877 -11.181
  365    H    LYS  47           H        LYS  47  -7.432   5.550  -8.615
  366    HA   LYS  47           HA       LYS  47  -8.099   7.378  -6.462
  367   1HB   LYS  47          1HB       LYS  47  -7.704   4.421  -6.677
  368   2HB   LYS  47          2HB       LYS  47  -7.317   5.168  -5.133
  369   1HG   LYS  47          1HG       LYS  47  -9.639   4.401  -5.068
  370   2HG   LYS  47          2HG       LYS  47  -9.626   6.146  -5.036
  371   1HD   LYS  47          1HD       LYS  47 -10.096   6.175  -7.477
  372   2HD   LYS  47          2HD       LYS  47 -10.199   4.413  -7.488
  373   1HE   LYS  47          1HE       LYS  47 -12.452   5.214  -7.320
  374   2HE   LYS  47          2HE       LYS  47 -12.043   4.706  -5.663
  375   1HZ   LYS  47          1HZ       LYS  47 -11.886   7.403  -6.776
  376   2HZ   LYS  47          2HZ       LYS  47 -13.053   6.863  -5.770
  377   3HZ   LYS  47          3HZ       LYS  47 -11.509   7.001  -5.231
  378    H    GLY  48           H        GLY  48  -5.153   5.998  -7.848
  379   1HA   GLY  48          1HA       GLY  48  -2.988   6.290  -7.430
  380   2HA   GLY  48          2HA       GLY  48  -3.390   6.378  -5.700
  381    H    GLN  49           H        GLN  49  -4.800   8.606  -8.009
  382    HA   GLN  49           HA       GLN  49  -3.102  10.765  -7.927
  383   1HB   GLN  49          1HB       GLN  49  -6.104  10.431  -8.207
  384   2HB   GLN  49          2HB       GLN  49  -5.348  12.030  -8.314
  385   1HG   GLN  49          1HG       GLN  49  -4.084  11.418 -10.234
  386   2HG   GLN  49          2HG       GLN  49  -4.353   9.684  -9.947
  387   2HE2  GLN  49          2HE2      GLN  49  -5.026   9.675 -12.317
  388   1HE2  GLN  49          1HE2      GLN  49  -6.693  10.149 -12.601
  389    H    ASN  50           H        ASN  50  -5.395   9.678  -5.457
  390    HA   ASN  50           HA       ASN  50  -4.833  12.084  -3.862
  391   1HB   ASN  50          1HB       ASN  50  -7.110  10.075  -3.824
  392   2HB   ASN  50          2HB       ASN  50  -6.808  11.219  -2.500
  393   2HD2  ASN  50          2HD2      ASN  50  -8.102  10.938  -5.848
  394   1HD2  ASN  50          1HD2      ASN  50  -8.485  12.644  -5.902
  395    H    ALA  51           H        ALA  51  -3.429   9.175  -4.211
  396    HA   ALA  51           HA       ALA  51  -3.211   8.431  -1.401
  397   1HB   ALA  51          1HB       ALA  51  -3.107   6.674  -3.094
  398   2HB   ALA  51          2HB       ALA  51  -1.705   7.458  -3.871
  399   3HB   ALA  51          3HB       ALA  51  -1.555   6.810  -2.227
  400    H    ASP  52           H        ASP  52  -1.535   8.933  -0.060
  401    HA   ASP  52           HA       ASP  52   0.499  10.809  -0.948
  402   1HB   ASP  52          1HB       ASP  52  -0.017   9.572   1.801
  403   2HB   ASP  52          2HB       ASP  52   1.217  10.785   1.421
  404    H    VAL  53           H        VAL  53   0.251   7.324   0.007
  405    HA   VAL  53           HA       VAL  53   2.517   6.989  -1.775
  406    HB   VAL  53           HB       VAL  53   3.412   6.978   0.529
  407   1HG1  VAL  53          1HG1      VAL  53   1.551   6.115   1.660
  408   2HG1  VAL  53          2HG1      VAL  53   1.780   4.491   0.938
  409   3HG1  VAL  53          3HG1      VAL  53   3.050   5.177   2.020
  410   1HG2  VAL  53          1HG2      VAL  53   3.540   4.381  -1.070
  411   2HG2  VAL  53          2HG2      VAL  53   4.579   5.766  -1.297
  412   3HG2  VAL  53          3HG2      VAL  53   4.689   4.835   0.225
  413    H    VAL  54           H        VAL  54   2.368   5.257  -3.026
  414    HA   VAL  54           HA       VAL  54  -0.011   3.509  -2.866
  415    HB   VAL  54           HB       VAL  54   1.928   4.177  -5.088
  416   1HG1  VAL  54          1HG1      VAL  54   0.912   1.929  -5.367
  417   2HG1  VAL  54          2HG1      VAL  54  -0.706   2.639  -5.179
  418   3HG1  VAL  54          3HG1      VAL  54   0.280   3.044  -6.606
  419   1HG2  VAL  54          1HG2      VAL  54  -0.933   5.132  -4.652
  420   2HG2  VAL  54          2HG2      VAL  54   0.544   6.104  -4.589
  421   3HG2  VAL  54          3HG2      VAL  54   0.018   5.400  -6.144
  422    H    LEU  55           H        LEU  55   0.324   1.563  -2.144
  423    HA   LEU  55           HA       LEU  55   3.006   0.371  -2.408
  424   1HB   LEU  55          1HB       LEU  55   0.798  -0.073  -0.356
  425   2HB   LEU  55          2HB       LEU  55   2.195  -1.151  -0.502
  426    HG   LEU  55           HG       LEU  55   2.484   1.857  -0.062
  427   1HD1  LEU  55          1HD1      LEU  55   1.134   0.778   1.782
  428   2HD1  LEU  55          2HD1      LEU  55   2.406  -0.442   1.984
  429   3HD1  LEU  55          3HD1      LEU  55   2.746   1.264   2.356
  430   1HD2  LEU  55          1HD2      LEU  55   4.444  -0.384   0.379
  431   2HD2  LEU  55          2HD2      LEU  55   4.438   0.888  -0.894
  432   3HD2  LEU  55          3HD2      LEU  55   4.612   1.346   0.815
  433    H    LEU  56           H        LEU  56   3.318  -1.373  -3.470
  434    HA   LEU  56           HA       LEU  56   1.032  -2.746  -4.725
  435   1HB   LEU  56          1HB       LEU  56   3.978  -2.857  -5.474
  436   2HB   LEU  56          2HB       LEU  56   2.625  -3.365  -6.478
  437    HG   LEU  56           HG       LEU  56   3.076  -0.485  -5.628
  438   1HD1  LEU  56          1HD1      LEU  56   3.857  -1.893  -8.221
  439   2HD1  LEU  56          2HD1      LEU  56   3.950  -0.144  -7.916
  440   3HD1  LEU  56          3HD1      LEU  56   4.975  -1.255  -6.994
  441   1HD2  LEU  56          1HD2      LEU  56   1.358  -1.696  -7.833
  442   2HD2  LEU  56          2HD2      LEU  56   0.757  -0.994  -6.303
  443   3HD2  LEU  56          3HD2      LEU  56   1.571   0.039  -7.502
  444    H    GLY  57           H        GLY  57   0.701  -4.838  -4.647
  445   1HA   GLY  57          1HA       GLY  57   0.905  -7.075  -4.294
  446   2HA   GLY  57          2HA       GLY  57   1.946  -6.677  -2.909
  447    HA   PRO  58           HA       PRO  58   5.665  -7.503  -5.112
  448   1HB   PRO  58          1HB       PRO  58   6.093 -10.183  -4.331
  449   2HB   PRO  58          2HB       PRO  58   6.667  -8.718  -3.491
  450   1HG   PRO  58          1HG       PRO  58   4.245 -10.425  -2.932
  451   2HG   PRO  58          2HG       PRO  58   5.319  -9.559  -1.799
  452   1HD   PRO  58          1HD       PRO  58   2.862  -8.575  -2.456
  453   2HD   PRO  58          2HD       PRO  58   4.251  -7.485  -2.149
  454    H    GLN  59           H        GLN  59   2.979  -9.813  -5.440
  455    HA   GLN  59           HA       GLN  59   3.749 -11.075  -7.782
  456   1HB   GLN  59          1HB       GLN  59   1.304 -11.474  -8.111
  457   2HB   GLN  59          2HB       GLN  59   1.925 -11.976  -6.554
  458   1HG   GLN  59          1HG       GLN  59   0.656  -9.257  -6.753
  459   2HG   GLN  59          2HG       GLN  59  -0.383 -10.687  -6.780
  460   2HE2  GLN  59          2HE2      GLN  59  -1.376 -10.221  -4.758
  461   1HE2  GLN  59          1HE2      GLN  59  -0.489 -10.350  -3.284
  462    H    ILE  60           H        ILE  60   2.576  -7.779  -7.485
  463    HA   ILE  60           HA       ILE  60   2.580  -7.707 -10.423
  464    HB   ILE  60           HB       ILE  60   1.132  -5.745 -10.361
  465   1HG1  ILE  60          1HG1      ILE  60   0.338  -6.338  -7.522
  466   2HG1  ILE  60          2HG1      ILE  60   1.705  -5.261  -7.848
  467   1HG2  ILE  60          1HG2      ILE  60  -0.037  -8.261  -9.137
  468   2HG2  ILE  60          2HG2      ILE  60  -0.976  -6.952  -9.887
  469   3HG2  ILE  60          3HG2      ILE  60   0.174  -7.889 -10.861
  470   1HD1  ILE  60          1HD1      ILE  60  -1.097  -4.871  -8.957
  471   2HD1  ILE  60          2HD1      ILE  60  -0.373  -3.972  -7.599
  472   3HD1  ILE  60          3HD1      ILE  60   0.301  -3.814  -9.239
  473    H    ALA  61           H        ALA  61   4.764  -7.454  -8.435
  474    HA   ALA  61           HA       ALA  61   5.650  -4.804  -8.307
  475   1HB   ALA  61          1HB       ALA  61   7.872  -5.848  -7.845
  476   2HB   ALA  61          2HB       ALA  61   6.564  -6.686  -6.968
  477   3HB   ALA  61          3HB       ALA  61   7.240  -7.406  -8.447
  478    H    TYR  62           H        TYR  62   6.040  -7.178 -10.940
  479    HA   TYR  62           HA       TYR  62   7.862  -5.697 -12.473
  480   1HB   TYR  62          1HB       TYR  62   7.236  -7.064 -14.292
  481   2HB   TYR  62          2HB       TYR  62   7.190  -8.068 -12.845
  482    HD1  TYR  62           HD1      TYR  62   4.911  -8.727 -11.850
  483    HD2  TYR  62           HD2      TYR  62   5.385  -6.837 -15.689
  484    HE1  TYR  62           HE1      TYR  62   2.499  -9.044 -12.330
  485    HE2  TYR  62           HE2      TYR  62   3.068  -7.452 -16.267
  486    HH   TYR  62           HH       TYR  62   1.155  -8.285 -15.522
  487    H    MET  63           H        MET  63   4.467  -5.030 -11.875
  488    HA   MET  63           HA       MET  63   4.186  -3.223 -14.096
  489   1HB   MET  63          1HB       MET  63   2.591  -4.188 -11.748
  490   2HB   MET  63          2HB       MET  63   1.987  -2.824 -12.739
  491   1HG   MET  63          1HG       MET  63   1.865  -4.185 -14.690
  492   2HG   MET  63          2HG       MET  63   2.860  -5.454 -13.962
  493   1HE   MET  63          1HE       MET  63  -0.304  -3.521 -12.526
  494   2HE   MET  63          2HE       MET  63  -0.712  -3.866 -14.230
  495   3HE   MET  63          3HE       MET  63  -1.595  -4.688 -12.918
  496    H    LEU  64           H        LEU  64   5.866  -2.875 -11.142
  497    HA   LEU  64           HA       LEU  64   5.169  -0.331 -10.311
  498   1HB   LEU  64          1HB       LEU  64   6.557  -1.647  -8.981
  499   2HB   LEU  64          2HB       LEU  64   7.719  -1.964 -10.233
  500    HG   LEU  64           HG       LEU  64   8.016   0.619 -10.305
  501   1HD1  LEU  64          1HD1      LEU  64   6.141   1.147  -8.769
  502   2HD1  LEU  64          2HD1      LEU  64   6.983   0.271  -7.455
  503   3HD1  LEU  64          3HD1      LEU  64   7.681   1.758  -8.120
  504   1HD2  LEU  64          1HD2      LEU  64   9.170  -1.046  -8.048
  505   2HD2  LEU  64          2HD2      LEU  64   9.809  -0.815  -9.709
  506   3HD2  LEU  64          3HD2      LEU  64   9.758   0.556  -8.579
  507    HA   PRO  65           HA       PRO  65   8.093   1.648 -13.632
  508   1HB   PRO  65          1HB       PRO  65   7.590  -0.338 -15.838
  509   2HB   PRO  65          2HB       PRO  65   9.009   0.715 -15.541
  510   1HG   PRO  65          1HG       PRO  65   9.112  -1.913 -14.915
  511   2HG   PRO  65          2HG       PRO  65   9.869  -0.704 -13.845
  512   1HD   PRO  65          1HD       PRO  65   7.198  -2.132 -13.460
  513   2HD   PRO  65          2HD       PRO  65   8.420  -1.642 -12.258
  514    H    GLU  66           H        GLU  66   5.139  -0.252 -14.442
  515    HA   GLU  66           HA       GLU  66   4.288   1.654 -16.415
  516   1HB   GLU  66          1HB       GLU  66   3.934  -0.937 -16.281
  517   2HB   GLU  66          2HB       GLU  66   2.612  -0.535 -15.169
  518   1HG   GLU  66          1HG       GLU  66   1.617  -0.757 -17.326
  519   2HG   GLU  66          2HG       GLU  66   1.671   0.983 -16.950
  520    H    ILE  67           H        ILE  67   3.377   0.805 -13.079
  521    HA   ILE  67           HA       ILE  67   1.265   2.750 -12.828
  522    HB   ILE  67           HB       ILE  67   2.779   0.998 -10.944
  523   1HG1  ILE  67          1HG1      ILE  67  -0.046   1.055 -12.087
  524   2HG1  ILE  67          2HG1      ILE  67   1.270   0.046 -12.665
  525   1HG2  ILE  67          1HG2      ILE  67   0.460   2.878 -10.399
  526   2HG2  ILE  67          2HG2      ILE  67   0.986   1.607  -9.247
  527   3HG2  ILE  67          3HG2      ILE  67   2.081   2.947  -9.668
  528   1HD1  ILE  67          1HD1      ILE  67  -0.090  -0.177  -9.953
  529   2HD1  ILE  67          2HD1      ILE  67  -0.357  -1.234 -11.347
  530   3HD1  ILE  67          3HD1      ILE  67   1.226  -1.240 -10.527
  531    H    GLN  68           H        GLN  68   4.746   2.701 -11.983
  532    HA   GLN  68           HA       GLN  68   4.988   5.241 -10.960
  533   1HB   GLN  68          1HB       GLN  68   6.678   3.203 -12.005
  534   2HB   GLN  68          2HB       GLN  68   7.105   4.682 -12.879
  535   1HG   GLN  68          1HG       GLN  68   6.987   4.386  -9.853
  536   2HG   GLN  68          2HG       GLN  68   8.466   4.321 -10.828
  537   2HE2  GLN  68          2HE2      GLN  68   6.888   6.354  -8.786
  538   1HE2  GLN  68          1HE2      GLN  68   7.401   7.860  -9.519
  539    H    ARG  69           H        ARG  69   4.927   4.213 -14.420
  540    HA   ARG  69           HA       ARG  69   5.155   6.626 -15.668
  541   1HB   ARG  69          1HB       ARG  69   5.331   4.478 -16.628
  542   2HB   ARG  69          2HB       ARG  69   3.634   4.112 -16.304
  543   1HG   ARG  69          1HG       ARG  69   4.337   6.424 -18.099
  544   2HG   ARG  69          2HG       ARG  69   4.406   4.786 -18.752
  545   1HD   ARG  69          1HD       ARG  69   1.965   6.039 -17.459
  546   2HD   ARG  69          2HD       ARG  69   2.276   5.981 -19.211
  547    HE   ARG  69           HE       ARG  69   2.487   3.375 -18.302
  548   1HH1  ARG  69          1HH1      ARG  69  -0.122   5.698 -18.781
  549   2HH1  ARG  69          2HH1      ARG  69  -1.328   4.461 -18.952
  550   1HH2  ARG  69          1HH2      ARG  69   0.934   1.832 -18.517
  551   2HH2  ARG  69          2HH2      ARG  69  -0.737   2.209 -18.740
  552    H    LEU  70           H        LEU  70   2.230   4.980 -14.406
  553    HA   LEU  70           HA       LEU  70   0.231   6.780 -15.309
  554   1HB   LEU  70          1HB       LEU  70   0.563   4.655 -13.262
  555   2HB   LEU  70          2HB       LEU  70  -0.959   5.655 -13.240
  556    HG   LEU  70           HG       LEU  70   0.259   4.087 -15.471
  557   1HD1  LEU  70          1HD1      LEU  70  -2.023   3.289 -13.597
  558   2HD1  LEU  70          2HD1      LEU  70  -1.615   2.390 -15.069
  559   3HD1  LEU  70          3HD1      LEU  70  -0.447   2.476 -13.743
  560   1HD2  LEU  70          1HD2      LEU  70  -1.446   5.855 -16.219
  561   2HD2  LEU  70          2HD2      LEU  70  -2.113   4.225 -16.495
  562   3HD2  LEU  70          3HD2      LEU  70  -2.613   5.152 -15.073
  563    H    LEU  71           H        LEU  71   2.078   6.508 -12.289
  564    HA   LEU  71           HA       LEU  71   1.015   9.094 -11.312
  565   1HB   LEU  71          1HB       LEU  71   1.886   6.669  -9.733
  566   2HB   LEU  71          2HB       LEU  71   1.168   8.145  -9.075
  567    HG   LEU  71           HG       LEU  71  -0.291   6.371 -11.047
  568   1HD1  LEU  71          1HD1      LEU  71   0.308   4.991  -9.108
  569   2HD1  LEU  71          2HD1      LEU  71  -0.358   6.213  -8.003
  570   3HD1  LEU  71          3HD1      LEU  71  -1.428   5.327  -9.125
  571   1HD2  LEU  71          1HD2      LEU  71  -1.201   8.633 -10.790
  572   2HD2  LEU  71          2HD2      LEU  71  -2.312   7.409 -10.156
  573   3HD2  LEU  71          3HD2      LEU  71  -1.366   8.403  -9.035
  574    HA   PRO  72           HA       PRO  72   5.598   9.064 -11.594
  575   1HB   PRO  72          1HB       PRO  72   6.036  11.314 -13.134
  576   2HB   PRO  72          2HB       PRO  72   5.596   9.744 -13.871
  577   1HG   PRO  72          1HG       PRO  72   3.800  12.113 -13.194
  578   2HG   PRO  72          2HG       PRO  72   3.836  11.149 -14.689
  579   1HD   PRO  72          1HD       PRO  72   2.002  10.638 -12.680
  580   2HD   PRO  72          2HD       PRO  72   2.653   9.336 -13.692
  581    H    ASN  73           H        ASN  73   3.379  11.237 -10.303
  582    HA   ASN  73           HA       ASN  73   5.529  12.758  -8.979
  583   1HB   ASN  73          1HB       ASN  73   2.556  13.391  -9.098
  584   2HB   ASN  73          2HB       ASN  73   3.835  14.422  -8.440
  585   2HD2  ASN  73          2HD2      ASN  73   1.854  14.782 -10.912
  586   1HD2  ASN  73          1HD2      ASN  73   3.040  15.199 -12.129
  587    H    LYS  74           H        LYS  74   4.134   9.977  -8.193
  588    HA   LYS  74           HA       LYS  74   3.468  10.731  -5.445
  589   1HB   LYS  74          1HB       LYS  74   2.118   8.736  -7.282
  590   2HB   LYS  74          2HB       LYS  74   1.786   8.806  -5.544
  591   1HG   LYS  74          1HG       LYS  74   1.207  11.086  -7.479
  592   2HG   LYS  74          2HG       LYS  74   0.014   9.900  -6.948
  593   1HD   LYS  74          1HD       LYS  74   0.421  10.609  -4.582
  594   2HD   LYS  74          2HD       LYS  74   1.471  11.903  -5.184
  595   1HE   LYS  74          1HE       LYS  74  -0.433  12.887  -6.442
  596   2HE   LYS  74          2HE       LYS  74  -1.467  11.553  -5.938
  597   1HZ   LYS  74          1HZ       LYS  74  -1.125  12.175  -3.690
  598   2HZ   LYS  74          2HZ       LYS  74  -0.177  13.433  -4.110
  599   3HZ   LYS  74          3HZ       LYS  74  -1.761  13.411  -4.539
  600    HA   PRO  75           HA       PRO  75   6.643   7.594  -4.990
  601   1HB   PRO  75          1HB       PRO  75   6.521   7.154  -2.310
  602   2HB   PRO  75          2HB       PRO  75   7.278   8.592  -3.027
  603   1HG   PRO  75          1HG       PRO  75   4.469   8.344  -1.849
  604   2HG   PRO  75          2HG       PRO  75   5.649   9.652  -1.623
  605   1HD   PRO  75          1HD       PRO  75   3.583   9.811  -3.430
  606   2HD   PRO  75          2HD       PRO  75   5.148  10.603  -3.756
  607    H    VAL  76           H        VAL  76   6.469   5.707  -5.715
  608    HA   VAL  76           HA       VAL  76   4.297   3.978  -4.774
  609    HB   VAL  76           HB       VAL  76   5.541   4.138  -7.578
  610   1HG1  VAL  76          1HG1      VAL  76   4.688   1.912  -7.006
  611   2HG1  VAL  76          2HG1      VAL  76   3.104   2.608  -6.586
  612   3HG1  VAL  76          3HG1      VAL  76   3.684   2.657  -8.280
  613   1HG2  VAL  76          1HG2      VAL  76   4.151   6.131  -7.221
  614   2HG2  VAL  76          2HG2      VAL  76   3.471   5.035  -8.447
  615   3HG2  VAL  76          3HG2      VAL  76   2.766   5.085  -6.803
  616    H    GLU  77           H        GLU  77   4.983   2.345  -3.745
  617    HA   GLU  77           HA       GLU  77   7.592   1.144  -4.408
  618   1HB   GLU  77          1HB       GLU  77   6.434   1.793  -1.669
  619   2HB   GLU  77          2HB       GLU  77   7.850   0.767  -1.903
  620   1HG   GLU  77          1HG       GLU  77   7.629   3.722  -2.617
  621   2HG   GLU  77          2HG       GLU  77   8.430   3.062  -1.183
  622    H    VAL  78           H        VAL  78   7.876  -0.977  -3.862
  623    HA   VAL  78           HA       VAL  78   5.431  -2.601  -3.824
  624    HB   VAL  78           HB       VAL  78   8.338  -3.259  -4.245
  625   1HG1  VAL  78          1HG1      VAL  78   6.984  -5.264  -3.499
  626   2HG1  VAL  78          2HG1      VAL  78   5.817  -4.944  -4.793
  627   3HG1  VAL  78          3HG1      VAL  78   7.463  -5.442  -5.203
  628   1HG2  VAL  78          1HG2      VAL  78   6.153  -2.942  -6.322
  629   2HG2  VAL  78          2HG2      VAL  78   7.581  -1.899  -6.048
  630   3HG2  VAL  78          3HG2      VAL  78   7.786  -3.578  -6.611
  631    H    ILE  79           H        ILE  79   4.921  -3.986  -2.150
  632    HA   ILE  79           HA       ILE  79   6.241  -3.772   0.426
  633    HB   ILE  79           HB       ILE  79   4.109  -5.673  -0.585
  634   1HG1  ILE  79          1HG1      ILE  79   3.570  -3.326   1.235
  635   2HG1  ILE  79          2HG1      ILE  79   3.730  -3.035  -0.492
  636   1HG2  ILE  79          1HG2      ILE  79   5.021  -4.989   2.241
  637   2HG2  ILE  79          2HG2      ILE  79   3.588  -5.972   1.839
  638   3HG2  ILE  79          3HG2      ILE  79   5.220  -6.525   1.385
  639   1HD1  ILE  79          1HD1      ILE  79   1.778  -5.005   0.788
  640   2HD1  ILE  79          2HD1      ILE  79   1.345  -3.391   0.201
  641   3HD1  ILE  79          3HD1      ILE  79   1.887  -4.630  -0.947
  642    H    ASP  80           H        ASP  80   7.894  -4.915   1.085
  643    HA   ASP  80           HA       ASP  80   9.294  -6.824  -0.368
  644   1HB   ASP  80          1HB       ASP  80  10.286  -5.614   1.479
  645   2HB   ASP  80          2HB       ASP  80   9.137  -6.335   2.624
  646    H    SER  81           H        SER  81   9.222  -8.785  -0.761
  647    HA   SER  81           HA       SER  81   7.077 -10.388  -0.628
  648   1HB   SER  81          1HB       SER  81   8.957 -10.786  -2.114
  649   2HB   SER  81          2HB       SER  81  10.040 -11.111  -0.749
  650    HG   SER  81           HG       SER  81   9.341 -13.076  -1.729
  651    H    LEU  82           H        LEU  82   9.721 -10.288   1.818
  652    HA   LEU  82           HA       LEU  82   8.922 -12.690   3.145
  653   1HB   LEU  82          1HB       LEU  82  11.193 -12.045   2.927
  654   2HB   LEU  82          2HB       LEU  82  10.897 -10.455   3.638
  655    HG   LEU  82           HG       LEU  82  10.277 -11.572   5.776
  656   1HD1  LEU  82          1HD1      LEU  82  11.367 -14.066   4.395
  657   2HD1  LEU  82          2HD1      LEU  82  11.034 -13.942   6.138
  658   3HD1  LEU  82          3HD1      LEU  82   9.697 -13.830   4.979
  659   1HD2  LEU  82          1HD2      LEU  82  13.087 -12.154   4.748
  660   2HD2  LEU  82          2HD2      LEU  82  12.534 -10.674   5.579
  661   3HD2  LEU  82          3HD2      LEU  82  12.591 -12.218   6.447
  662    H    LEU  83           H        LEU  83   8.689  -9.121   3.856
  663    HA   LEU  83           HA       LEU  83   7.300  -9.280   6.241
  664   1HB   LEU  83          1HB       LEU  83   7.102  -7.256   3.996
  665   2HB   LEU  83          2HB       LEU  83   6.337  -7.041   5.568
  666    HG   LEU  83           HG       LEU  83   9.338  -7.313   5.091
  667   1HD1  LEU  83          1HD1      LEU  83   8.361  -5.142   4.325
  668   2HD1  LEU  83          2HD1      LEU  83   7.607  -4.931   5.912
  669   3HD1  LEU  83          3HD1      LEU  83   9.377  -4.936   5.772
  670   1HD2  LEU  83          1HD2      LEU  83   8.663  -8.250   7.250
  671   2HD2  LEU  83          2HD2      LEU  83   9.628  -6.764   7.418
  672   3HD2  LEU  83          3HD2      LEU  83   7.865  -6.708   7.676
  673    H    TYR  84           H        TYR  84   6.054  -9.338   2.932
  674    HA   TYR  84           HA       TYR  84   3.285  -9.363   3.538
  675   1HB   TYR  84          1HB       TYR  84   4.493  -8.879   1.322
  676   2HB   TYR  84          2HB       TYR  84   4.567 -10.620   1.103
  677    HD1  TYR  84           HD1      TYR  84   2.414 -11.962   0.906
  678    HD2  TYR  84           HD2      TYR  84   2.446  -7.663   0.996
  679    HE1  TYR  84           HE1      TYR  84   0.243 -11.909  -0.281
  680    HE2  TYR  84           HE2      TYR  84   0.312  -7.618  -0.218
  681    HH   TYR  84           HH       TYR  84  -1.381  -8.860  -1.051
  682    H    GLY  85           H        GLY  85   5.577 -12.087   2.844
  683   1HA   GLY  85          1HA       GLY  85   5.551 -14.267   3.368
  684   2HA   GLY  85          2HA       GLY  85   3.794 -14.219   3.165
  685    H    LYS  86           H        LYS  86   5.753 -12.443   5.548
  686    HA   LYS  86           HA       LYS  86   5.020 -14.085   7.776
  687   1HB   LYS  86          1HB       LYS  86   7.148 -12.685   7.201
  688   2HB   LYS  86          2HB       LYS  86   6.218 -11.294   7.777
  689   1HG   LYS  86          1HG       LYS  86   6.005 -12.325   9.988
  690   2HG   LYS  86          2HG       LYS  86   6.834 -13.785   9.390
  691   1HD   LYS  86          1HD       LYS  86   8.473 -12.515  10.590
  692   2HD   LYS  86          2HD       LYS  86   8.824 -12.355   8.856
  693   1HE   LYS  86          1HE       LYS  86   7.844 -10.139   8.795
  694   2HE   LYS  86          2HE       LYS  86   7.326 -10.278  10.500
  695   1HZ   LYS  86          1HZ       LYS  86   9.624 -10.446  11.087
  696   2HZ   LYS  86          2HZ       LYS  86  10.079 -10.285   9.520
  697   3HZ   LYS  86          3HZ       LYS  86   9.319  -9.055  10.288
  698    H    VAL  87           H        VAL  87   3.480 -11.546   6.123
  699    HA   VAL  87           HA       VAL  87   2.127  -9.913   6.470
  700    HB   VAL  87           HB       VAL  87   0.618 -11.798   8.295
  701   1HG1  VAL  87          1HG1      VAL  87  -0.305  -9.529   8.036
  702   2HG1  VAL  87          2HG1      VAL  87  -0.337  -9.728   6.274
  703   3HG1  VAL  87          3HG1      VAL  87  -1.365 -10.760   7.296
  704   1HG2  VAL  87          1HG2      VAL  87   1.304 -13.053   6.266
  705   2HG2  VAL  87          2HG2      VAL  87  -0.454 -12.754   6.297
  706   3HG2  VAL  87          3HG2      VAL  87   0.599 -11.772   5.251
  707    H    ASP  88           H        ASP  88   3.952  -8.956   7.637
  708    HA   ASP  88           HA       ASP  88   3.397  -8.366  10.465
  709   1HB   ASP  88          1HB       ASP  88   5.628  -9.217   9.683
  710   2HB   ASP  88          2HB       ASP  88   5.839  -7.701   8.778
  711    H    GLY  89           H        GLY  89   1.788  -7.004  10.389
  712   1HA   GLY  89          1HA       GLY  89   0.626  -5.042  10.243
  713   2HA   GLY  89          2HA       GLY  89   1.278  -4.994   8.579
  714    H    LEU  90           H        LEU  90   3.271  -4.790  11.520
  715    HA   LEU  90           HA       LEU  90   3.221  -1.913  11.687
  716   1HB   LEU  90          1HB       LEU  90   3.455  -3.340  13.661
  717   2HB   LEU  90          2HB       LEU  90   4.922  -4.057  12.982
  718    HG   LEU  90           HG       LEU  90   6.021  -1.879  13.016
  719   1HD1  LEU  90          1HD1      LEU  90   3.550  -0.897  14.525
  720   2HD1  LEU  90          2HD1      LEU  90   5.070   0.002  14.345
  721   3HD1  LEU  90          3HD1      LEU  90   4.086  -0.369  12.910
  722   1HD2  LEU  90          1HD2      LEU  90   6.320  -3.432  14.894
  723   2HD2  LEU  90          2HD2      LEU  90   6.356  -1.748  15.463
  724   3HD2  LEU  90          3HD2      LEU  90   4.898  -2.733  15.713
  725    H    GLY  91           H        GLY  91   5.580  -4.379  10.545
  726   1HA   GLY  91          1HA       GLY  91   7.192  -4.358   9.014
  727   2HA   GLY  91          2HA       GLY  91   7.722  -2.860   9.778
  728    H    VAL  92           H        VAL  92   4.815  -3.730   7.859
  729    HA   VAL  92           HA       VAL  92   5.617  -2.311   5.520
  730    HB   VAL  92           HB       VAL  92   2.903  -3.330   6.408
  731   1HG1  VAL  92          1HG1      VAL  92   3.964  -2.642   3.631
  732   2HG1  VAL  92          2HG1      VAL  92   2.389  -3.408   3.943
  733   3HG1  VAL  92          3HG1      VAL  92   2.698  -1.749   4.508
  734   1HG2  VAL  92          1HG2      VAL  92   5.051  -4.635   4.693
  735   2HG2  VAL  92          2HG2      VAL  92   4.499  -5.183   6.294
  736   3HG2  VAL  92          3HG2      VAL  92   3.405  -5.276   4.895
  737    H    LEU  93           H        LEU  93   3.487  -1.511   8.290
  738    HA   LEU  93           HA       LEU  93   2.506   0.912   7.308
  739   1HB   LEU  93          1HB       LEU  93   1.764  -0.438   9.361
  740   2HB   LEU  93          2HB       LEU  93   3.199   0.198  10.176
  741    HG   LEU  93           HG       LEU  93   2.365   2.514   9.807
  742   1HD1  LEU  93          1HD1      LEU  93   0.832   2.118   7.922
  743   2HD1  LEU  93          2HD1      LEU  93  -0.221   1.137   8.972
  744   3HD1  LEU  93          3HD1      LEU  93  -0.012   2.869   9.293
  745   1HD2  LEU  93          1HD2      LEU  93   0.522   0.679  11.398
  746   2HD2  LEU  93          2HD2      LEU  93   2.041   1.414  11.976
  747   3HD2  LEU  93          3HD2      LEU  93   0.649   2.435  11.582
  748    H    LYS  94           H        LYS  94   5.447   0.174   9.200
  749    HA   LYS  94           HA       LYS  94   6.402   2.833   9.441
  750   1HB   LYS  94          1HB       LYS  94   7.628   0.066   9.522
  751   2HB   LYS  94          2HB       LYS  94   8.674   1.480   9.591
  752   1HG   LYS  94          1HG       LYS  94   7.483   2.331  11.578
  753   2HG   LYS  94          2HG       LYS  94   6.372   0.955  11.528
  754   1HD   LYS  94          1HD       LYS  94   8.152  -0.597  12.057
  755   2HD   LYS  94          2HD       LYS  94   9.388   0.649  11.836
  756   1HE   LYS  94          1HE       LYS  94   8.567   1.861  13.817
  757   2HE   LYS  94          2HE       LYS  94   7.264   0.682  14.044
  758   1HZ   LYS  94          1HZ       LYS  94   8.954  -0.993  14.284
  759   2HZ   LYS  94          2HZ       LYS  94  10.132   0.127  14.112
  760   3HZ   LYS  94          3HZ       LYS  94   9.127   0.190  15.397
  761    H    ALA  95           H        ALA  95   6.883   0.353   6.885
  762    HA   ALA  95           HA       ALA  95   8.831   1.829   5.480
  763   1HB   ALA  95          1HB       ALA  95   6.799  -0.289   4.618
  764   2HB   ALA  95          2HB       ALA  95   8.441  -0.619   5.214
  765   3HB   ALA  95          3HB       ALA  95   8.210   0.184   3.635
  766    H    ALA  96           H        ALA  96   5.304   1.671   5.280
  767    HA   ALA  96           HA       ALA  96   4.929   3.290   3.052
  768   1HB   ALA  96          1HB       ALA  96   3.194   1.827   4.055
  769   2HB   ALA  96          2HB       ALA  96   3.218   2.790   5.539
  770   3HB   ALA  96          3HB       ALA  96   2.577   3.501   4.036
  771    H    VAL  97           H        VAL  97   5.118   4.134   6.527
  772    HA   VAL  97           HA       VAL  97   4.506   6.922   6.297
  773    HB   VAL  97           HB       VAL  97   5.616   4.940   8.245
  774   1HG1  VAL  97          1HG1      VAL  97   5.178   7.915   8.755
  775   2HG1  VAL  97          2HG1      VAL  97   5.505   6.714  10.051
  776   3HG1  VAL  97          3HG1      VAL  97   6.741   7.051   8.799
  777   1HG2  VAL  97          1HG2      VAL  97   3.089   6.644   8.218
  778   2HG2  VAL  97          2HG2      VAL  97   3.187   4.886   7.935
  779   3HG2  VAL  97          3HG2      VAL  97   3.552   5.553   9.540
  780    H    ALA  98           H        ALA  98   7.431   4.913   6.303
  781    HA   ALA  98           HA       ALA  98   9.378   6.916   6.464
  782   1HB   ALA  98          1HB       ALA  98   9.389   4.200   5.126
  783   2HB   ALA  98          2HB       ALA  98  10.865   5.115   5.542
  784   3HB   ALA  98          3HB       ALA  98   9.789   4.499   6.834
  785    H    ALA  99           H        ALA  99   7.745   5.310   3.654
  786    HA   ALA  99           HA       ALA  99   9.168   6.615   1.642
  787   1HB   ALA  99          1HB       ALA  99   7.920   4.532   1.315
  788   2HB   ALA  99          2HB       ALA  99   7.269   5.775   0.212
  789   3HB   ALA  99          3HB       ALA  99   6.392   5.352   1.705
  790    H    ILE 100           H        ILE 100   6.107   7.456   3.308
  791    HA   ILE 100           HA       ILE 100   5.392   9.730   1.786
  792    HB   ILE 100           HB       ILE 100   5.055   8.945   4.692
  793   1HG1  ILE 100          1HG1      ILE 100   3.004   8.859   2.455
  794   2HG1  ILE 100          2HG1      ILE 100   4.005   7.480   2.908
  795   1HG2  ILE 100          1HG2      ILE 100   3.719  11.199   3.163
  796   2HG2  ILE 100          2HG2      ILE 100   3.168  10.632   4.767
  797   3HG2  ILE 100          3HG2      ILE 100   4.810  11.289   4.586
  798   1HD1  ILE 100          1HD1      ILE 100   3.005   7.490   5.184
  799   2HD1  ILE 100          2HD1      ILE 100   1.974   8.851   4.701
  800   3HD1  ILE 100          3HD1      ILE 100   1.792   7.271   3.907
  801    H    LYS 101           H        LYS 101   7.388   9.385   4.754
  802    HA   LYS 101           HA       LYS 101   8.203  12.065   4.823
  803   1HB   LYS 101          1HB       LYS 101   9.143   9.530   6.061
  804   2HB   LYS 101          2HB       LYS 101  10.181  10.996   6.169
  805   1HG   LYS 101          1HG       LYS 101   8.174  12.276   7.006
  806   2HG   LYS 101          2HG       LYS 101   7.265  10.744   7.017
  807   1HD   LYS 101          1HD       LYS 101   8.855   9.810   8.629
  808   2HD   LYS 101          2HD       LYS 101   9.893  11.260   8.462
  809   1HE   LYS 101          1HE       LYS 101   7.064  11.345   9.570
  810   2HE   LYS 101          2HE       LYS 101   8.521  11.223  10.582
  811   1HZ   LYS 101          1HZ       LYS 101   7.976  13.376   8.675
  812   2HZ   LYS 101          2HZ       LYS 101   7.814  13.481  10.300
  813   3HZ   LYS 101          3HZ       LYS 101   9.288  13.257   9.633
  814    H    LYS 102           H        LYS 102   9.603   9.347   2.852
  815    HA   LYS 102           HA       LYS 102  11.920  10.928   2.278
  816   1HB   LYS 102          1HB       LYS 102  11.690   8.392   2.535
  817   2HB   LYS 102          2HB       LYS 102  10.845   8.374   0.968
  818   1HG   LYS 102          1HG       LYS 102  12.939   9.658   0.109
  819   2HG   LYS 102          2HG       LYS 102  13.746   8.996   1.553
  820   1HD   LYS 102          1HD       LYS 102  12.989   6.695   0.802
  821   2HD   LYS 102          2HD       LYS 102  12.345   7.445  -0.669
  822   1HE   LYS 102          1HE       LYS 102  14.662   8.291  -1.215
  823   2HE   LYS 102          2HE       LYS 102  15.273   7.400   0.193
  824   1HZ   LYS 102          1HZ       LYS 102  14.394   5.408  -0.796
  825   2HZ   LYS 102          2HZ       LYS 102  13.878   6.239  -2.100
  826   3HZ   LYS 102          3HZ       LYS 102  15.478   6.138  -1.783
  827    H    ALA 103           H        ALA 103   9.020  11.422   1.610
  828    HA   ALA 103           HA       ALA 103   9.426  12.476  -1.146
  829   1HB   ALA 103          1HB       ALA 103   7.590  10.821  -1.035
  830   2HB   ALA 103          2HB       ALA 103   6.807  11.789   0.242
  831   3HB   ALA 103          3HB       ALA 103   6.956  12.447  -1.404
  832    H    ALA 104           H        ALA 104   7.529  13.216   1.873
  833    HA   ALA 104           HA       ALA 104   7.246  15.916   1.470
  834   1HB   ALA 104          1HB       ALA 104   7.352  14.163   3.945
  835   2HB   ALA 104          2HB       ALA 104   6.644  15.803   3.911
  836   3HB   ALA 104          3HB       ALA 104   5.931  14.483   2.931
  837    H    ALA 105           H        ALA 105  10.201  14.242   2.522
  838    HA   ALA 105           HA       ALA 105  11.593  16.559   3.281
  839   1HB   ALA 105          1HB       ALA 105  10.628  14.531   5.345
  840   2HB   ALA 105          2HB       ALA 105  11.809  15.819   5.714
  841   3HB   ALA 105          3HB       ALA 105  10.121  16.234   5.291
  842    H    ASN 106           H        ASN 106  13.670  15.602   4.486
  843    HA   ASN 106           HA       ASN 106  15.244  14.107   5.049
  844   1HB   ASN 106          1HB       ASN 106  13.582  12.012   3.630
  845   2HB   ASN 106          2HB       ASN 106  15.089  11.705   4.485
  846   2HD2  ASN 106          2HD2      ASN 106  14.985  12.897   6.811
  847   1HD2  ASN 106          1HD2      ASN 106  13.612  12.356   7.774

  No H/Q in entry =         847
  Start of MODEL    2
    1    H1   MET   1           H1       MET   1  -8.469  18.585   9.881
    2    H2   MET   1           H2       MET   1  -9.399  17.622   8.964
    3    H3   MET   1           H3       MET   1  -9.827  17.939  10.502
    4    HA   MET   1           HA       MET   1  -7.880  16.782  11.329
    5   1HB   MET   1          1HB       MET   1 -10.085  15.580  10.947
    6   2HB   MET   1          2HB       MET   1  -9.523  15.164   9.332
    7   1HG   MET   1          1HG       MET   1  -9.233  13.302  10.898
    8   2HG   MET   1          2HG       MET   1  -7.689  13.858  10.239
    9   1HE   MET   1          1HE       MET   1  -6.256  12.670  12.034
   10   2HE   MET   1          2HE       MET   1  -6.545  12.754  13.790
   11   3HE   MET   1          3HE       MET   1  -7.735  11.963  12.727
   12    H    GLU   2           H        GLU   2  -5.803  15.904  10.900
   13    HA   GLU   2           HA       GLU   2  -4.849  16.198   8.149
   14   1HB   GLU   2          1HB       GLU   2  -3.919  17.677   9.869
   15   2HB   GLU   2          2HB       GLU   2  -3.570  16.295  10.911
   16   1HG   GLU   2          1HG       GLU   2  -1.889  15.466   9.348
   17   2HG   GLU   2          2HG       GLU   2  -2.271  16.770   8.189
   18    H    LYS   3           H        LYS   3  -4.877  14.215   7.116
   19    HA   LYS   3           HA       LYS   3  -3.747  11.974   8.556
   20   1HB   LYS   3          1HB       LYS   3  -6.360  12.054   6.998
   21   2HB   LYS   3          2HB       LYS   3  -5.463  10.543   7.182
   22   1HG   LYS   3          1HG       LYS   3  -5.546  10.956   9.714
   23   2HG   LYS   3          2HG       LYS   3  -6.701  12.257   9.383
   24   1HD   LYS   3          1HD       LYS   3  -8.215  10.690   8.259
   25   2HD   LYS   3          2HD       LYS   3  -7.056   9.360   8.525
   26   1HE   LYS   3          1HE       LYS   3  -7.311   9.638  10.972
   27   2HE   LYS   3          2HE       LYS   3  -8.486  10.948  10.692
   28   1HZ   LYS   3          1HZ       LYS   3  -9.853   9.374   9.537
   29   2HZ   LYS   3          2HZ       LYS   3  -8.780   8.173   9.803
   30   3HZ   LYS   3          3HZ       LYS   3  -9.565   8.858  11.058
   31    H    LYS   4           H        LYS   4  -2.766  10.449   7.254
   32    HA   LYS   4           HA       LYS   4  -2.145  11.278   4.495
   33   1HB   LYS   4          1HB       LYS   4  -0.734   9.682   6.600
   34   2HB   LYS   4          2HB       LYS   4  -0.433   9.245   4.919
   35   1HG   LYS   4          1HG       LYS   4   1.288  10.718   5.605
   36   2HG   LYS   4          2HG       LYS   4   0.261  11.630   4.489
   37   1HD   LYS   4          1HD       LYS   4  -0.812  12.781   6.357
   38   2HD   LYS   4          2HD       LYS   4   0.133  11.827   7.515
   39   1HE   LYS   4          1HE       LYS   4   1.136  14.014   7.282
   40   2HE   LYS   4          2HE       LYS   4   2.224  12.825   6.557
   41   1HZ   LYS   4          1HZ       LYS   4   1.319  13.432   4.410
   42   2HZ   LYS   4          2HZ       LYS   4   0.352  14.545   5.096
   43   3HZ   LYS   4          3HZ       LYS   4   1.972  14.723   5.165
   44    H    HIS   5           H        HIS   5  -2.338   9.850   2.780
   45    HA   HIS   5           HA       HIS   5  -4.148   7.583   3.218
   46   1HB   HIS   5          1HB       HIS   5  -3.664   9.386   0.818
   47   2HB   HIS   5          2HB       HIS   5  -4.570   7.873   0.701
   48    HD2  HIS   5           HD2      HIS   5  -4.796  11.490   2.086
   49    HE1  HIS   5           HE1      HIS   5  -8.630   9.827   2.218
   50    HE2  HIS   5           HE2      HIS   5  -7.300  11.989   2.388
   51    H    ILE   6           H        ILE   6  -3.455   5.598   3.001
   52    HA   ILE   6           HA       ILE   6  -1.064   4.992   1.384
   53    HB   ILE   6           HB       ILE   6  -1.965   3.753   4.001
   54   1HG1  ILE   6          1HG1      ILE   6   0.604   5.298   3.495
   55   2HG1  ILE   6          2HG1      ILE   6  -0.868   6.064   4.089
   56   1HG2  ILE   6          1HG2      ILE   6   0.451   3.146   2.241
   57   2HG2  ILE   6          2HG2      ILE   6   0.136   2.443   3.844
   58   3HG2  ILE   6          3HG2      ILE   6  -0.966   2.107   2.493
   59   1HD1  ILE   6          1HD1      ILE   6  -0.829   4.607   6.084
   60   2HD1  ILE   6          2HD1      ILE   6   0.658   3.832   5.473
   61   3HD1  ILE   6          3HD1      ILE   6   0.666   5.552   5.915
   62    H    TYR   7           H        TYR   7  -1.856   4.059  -0.383
   63    HA   TYR   7           HA       TYR   7  -4.157   2.215  -0.101
   64   1HB   TYR   7          1HB       TYR   7  -3.354   3.840  -2.527
   65   2HB   TYR   7          2HB       TYR   7  -4.682   2.693  -2.462
   66    HD1  TYR   7           HD1      TYR   7  -4.499   5.707  -3.157
   67    HD2  TYR   7           HD2      TYR   7  -5.860   3.544   0.327
   68    HE1  TYR   7           HE1      TYR   7  -5.955   7.585  -2.541
   69    HE2  TYR   7           HE2      TYR   7  -7.416   5.341   0.832
   70    HH   TYR   7           HH       TYR   7  -8.173   7.339   0.217
   71    H    LEU   8           H        LEU   8  -3.974   0.217  -0.609
   72    HA   LEU   8           HA       LEU   8  -1.459  -0.811  -1.762
   73   1HB   LEU   8          1HB       LEU   8  -3.547  -1.983   0.101
   74   2HB   LEU   8          2HB       LEU   8  -2.400  -3.005  -0.781
   75    HG   LEU   8           HG       LEU   8  -0.581  -1.477   0.369
   76   1HD1  LEU   8          1HD1      LEU   8  -2.960  -0.929   2.138
   77   2HD1  LEU   8          2HD1      LEU   8  -1.238  -0.565   2.504
   78   3HD1  LEU   8          3HD1      LEU   8  -2.059   0.258   1.151
   79   1HD2  LEU   8          1HD2      LEU   8  -2.303  -3.387   2.007
   80   2HD2  LEU   8          2HD2      LEU   8  -0.966  -3.865   0.929
   81   3HD2  LEU   8          3HD2      LEU   8  -0.637  -2.896   2.378
   82    H    PHE   9           H        PHE   9  -1.456  -1.707  -3.650
   83    HA   PHE   9           HA       PHE   9  -4.011  -2.459  -4.915
   84   1HB   PHE   9          1HB       PHE   9  -1.642  -0.982  -6.139
   85   2HB   PHE   9          2HB       PHE   9  -2.928  -1.703  -7.091
   86    HD1  PHE   9           HD1      PHE   9  -5.272  -0.778  -6.936
   87    HD2  PHE   9           HD2      PHE   9  -1.993   1.039  -4.849
   88    HE1  PHE   9           HE1      PHE   9  -6.544   1.316  -6.748
   89    HE2  PHE   9           HE2      PHE   9  -3.179   3.202  -4.878
   90    HZ   PHE   9           HZ       PHE   9  -5.463   3.323  -5.831
   91    H    SER  11           H        SER  11  -3.093  -7.993  -7.859
   92    HA   SER  11           HA       SER  11  -4.610  -7.090  -9.930
   93   1HB   SER  11          1HB       SER  11  -4.386  -9.917  -8.780
   94   2HB   SER  11          2HB       SER  11  -4.953  -9.544 -10.411
   95    HG   SER  11           HG       SER  11  -2.801  -9.927 -10.686
   96    H    ALA  12           H        ALA  12  -5.903  -8.831  -7.040
   97    HA   ALA  12           HA       ALA  12  -8.604  -8.210  -8.098
   98   1HB   ALA  12          1HB       ALA  12  -8.106 -10.578  -8.092
   99   2HB   ALA  12          2HB       ALA  12  -7.624 -10.514  -6.379
  100   3HB   ALA  12          3HB       ALA  12  -9.326 -10.236  -6.848
  101    H    GLY  13           H        GLY  13  -6.543  -7.335  -5.512
  102   1HA   GLY  13          1HA       GLY  13  -8.485  -5.894  -4.113
  103   2HA   GLY  13          2HA       GLY  13  -6.835  -6.266  -3.580
  104    H    MET  14           H        MET  14  -6.948  -9.072  -3.354
  105    HA   MET  14           HA       MET  14  -9.152  -9.515  -1.469
  106   1HB   MET  14          1HB       MET  14  -7.830 -11.424  -3.409
  107   2HB   MET  14          2HB       MET  14  -8.866 -11.960  -2.078
  108   1HG   MET  14          1HG       MET  14  -9.631 -10.055  -4.317
  109   2HG   MET  14          2HG       MET  14 -10.137 -11.749  -4.160
  110   1HE   MET  14          1HE       MET  14 -11.995  -9.133  -4.599
  111   2HE   MET  14          2HE       MET  14 -12.666 -10.783  -4.555
  112   3HE   MET  14          3HE       MET  14 -13.380  -9.506  -3.543
  113    H    SER  15           H        SER  15  -5.858 -11.152  -1.932
  114    HA   SER  15           HA       SER  15  -5.838 -11.845   0.810
  115   1HB   SER  15          1HB       SER  15  -3.399 -12.407   0.275
  116   2HB   SER  15          2HB       SER  15  -4.669 -13.314  -0.560
  117    HG   SER  15           HG       SER  15  -2.894 -12.506  -1.944
  118    H    THR  16           H        THR  16  -4.792  -8.907  -0.838
  119    HA   THR  16           HA       THR  16  -3.143  -7.762   1.060
  120    HB   THR  16           HB       THR  16  -4.456  -5.647   0.252
  121    HG1  THR  16           HG1      THR  16  -5.373  -6.192  -1.921
  122   1HG2  THR  16          1HG2      THR  16  -2.677  -7.331  -1.538
  123   2HG2  THR  16          2HG2      THR  16  -3.102  -5.615  -1.829
  124   3HG2  THR  16          3HG2      THR  16  -2.191  -6.068  -0.380
  125    H    SER  17           H        SER  17  -6.691  -8.269   1.271
  126    HA   SER  17           HA       SER  17  -7.297  -6.187   2.941
  127   1HB   SER  17          1HB       SER  17  -9.351  -7.370   3.437
  128   2HB   SER  17          2HB       SER  17  -8.908  -7.640   1.735
  129    HG   SER  17           HG       SER  17  -9.487  -9.642   2.650
  130    H    LEU  18           H        LEU  18  -6.084  -9.407   3.818
  131    HA   LEU  18           HA       LEU  18  -6.422  -9.151   6.612
  132   1HB   LEU  18          1HB       LEU  18  -6.021 -11.345   5.597
  133   2HB   LEU  18          2HB       LEU  18  -4.446 -10.823   4.981
  134    HG   LEU  18           HG       LEU  18  -3.683 -10.504   7.280
  135   1HD1  LEU  18          1HD1      LEU  18  -5.829 -10.329   8.488
  136   2HD1  LEU  18          2HD1      LEU  18  -6.225 -12.011   8.042
  137   3HD1  LEU  18          3HD1      LEU  18  -4.861 -11.671   9.129
  138   1HD2  LEU  18          1HD2      LEU  18  -3.157 -12.531   5.955
  139   2HD2  LEU  18          2HD2      LEU  18  -3.320 -12.933   7.680
  140   3HD2  LEU  18          3HD2      LEU  18  -4.638 -13.312   6.555
  141    H    LEU  19           H        LEU  19  -3.552  -8.416   4.572
  142    HA   LEU  19           HA       LEU  19  -1.966  -7.455   6.642
  143   1HB   LEU  19          1HB       LEU  19  -1.234  -8.036   4.291
  144   2HB   LEU  19          2HB       LEU  19  -2.057  -6.588   3.718
  145    HG   LEU  19           HG       LEU  19  -0.586  -5.236   5.245
  146   1HD1  LEU  19          1HD1      LEU  19   0.134  -7.011   6.809
  147   2HD1  LEU  19          2HD1      LEU  19   0.980  -7.838   5.480
  148   3HD1  LEU  19          3HD1      LEU  19   1.527  -6.237   6.029
  149   1HD2  LEU  19          1HD2      LEU  19  -0.153  -5.434   2.828
  150   2HD2  LEU  19          2HD2      LEU  19   1.372  -5.354   3.734
  151   3HD2  LEU  19          3HD2      LEU  19   0.789  -6.918   3.113
  152    H    VAL  20           H        VAL  20  -4.328  -5.711   4.566
  153    HA   VAL  20           HA       VAL  20  -3.902  -3.124   5.529
  154    HB   VAL  20           HB       VAL  20  -6.304  -4.535   4.413
  155   1HG1  VAL  20          1HG1      VAL  20  -7.084  -2.502   5.564
  156   2HG1  VAL  20          2HG1      VAL  20  -5.889  -1.520   4.680
  157   3HG1  VAL  20          3HG1      VAL  20  -7.220  -2.313   3.799
  158   1HG2  VAL  20          1HG2      VAL  20  -4.249  -2.612   3.209
  159   2HG2  VAL  20          2HG2      VAL  20  -4.343  -4.362   2.890
  160   3HG2  VAL  20          3HG2      VAL  20  -5.645  -3.281   2.322
  161    H    SER  21           H        SER  21  -6.246  -5.670   6.603
  162    HA   SER  21           HA       SER  21  -7.456  -4.295   8.556
  163   1HB   SER  21          1HB       SER  21  -8.145  -6.510   7.733
  164   2HB   SER  21          2HB       SER  21  -6.740  -7.265   8.518
  165    HG   SER  21           HG       SER  21  -8.757  -7.422   9.792
  166    H    LYS  22           H        LYS  22  -4.521  -6.320   8.884
  167    HA   LYS  22           HA       LYS  22  -4.011  -5.827  11.622
  168   1HB   LYS  22          1HB       LYS  22  -2.302  -6.693   9.265
  169   2HB   LYS  22          2HB       LYS  22  -1.598  -6.450  10.866
  170   1HG   LYS  22          1HG       LYS  22  -3.161  -8.176  11.820
  171   2HG   LYS  22          2HG       LYS  22  -3.796  -8.434  10.117
  172   1HD   LYS  22          1HD       LYS  22  -2.171  -9.267   9.327
  173   2HD   LYS  22          2HD       LYS  22  -0.932  -8.700  10.569
  174   1HE   LYS  22          1HE       LYS  22  -3.114 -10.794  11.054
  175   2HE   LYS  22          2HE       LYS  22  -1.430 -11.213  10.686
  176   1HZ   LYS  22          1HZ       LYS  22  -2.319  -9.576  12.949
  177   2HZ   LYS  22          2HZ       LYS  22  -1.838 -11.135  13.037
  178   3HZ   LYS  22          3HZ       LYS  22  -0.774  -9.973  12.609
  179    H    MET  23           H        MET  23  -2.944  -4.095   8.709
  180    HA   MET  23           HA       MET  23  -1.217  -2.271   9.993
  181   1HB   MET  23          1HB       MET  23  -2.843  -2.078   7.434
  182   2HB   MET  23          2HB       MET  23  -1.753  -0.800   7.990
  183   1HG   MET  23          1HG       MET  23   0.163  -2.354   7.873
  184   2HG   MET  23          2HG       MET  23  -0.910  -3.664   7.379
  185   1HE   MET  23          1HE       MET  23  -0.501   0.161   6.235
  186   2HE   MET  23          2HE       MET  23   1.130  -0.545   6.261
  187   3HE   MET  23          3HE       MET  23   0.383  -0.101   4.719
  188    H    ARG  24           H        ARG  24  -4.729  -2.093   9.268
  189    HA   ARG  24           HA       ARG  24  -5.127   0.485  10.350
  190   1HB   ARG  24          1HB       ARG  24  -6.902  -1.871   9.702
  191   2HB   ARG  24          2HB       ARG  24  -7.568  -0.547  10.659
  192   1HG   ARG  24          1HG       ARG  24  -6.810   1.046   8.839
  193   2HG   ARG  24          2HG       ARG  24  -6.409  -0.366   7.858
  194   1HD   ARG  24          1HD       ARG  24  -8.776  -1.124   7.943
  195   2HD   ARG  24          2HD       ARG  24  -9.170   0.147   9.090
  196    HE   ARG  24           HE       ARG  24  -8.478   0.548   6.240
  197   1HH1  ARG  24          1HH1      ARG  24  -9.952   1.874   9.176
  198   2HH1  ARG  24          2HH1      ARG  24 -10.620   3.238   8.356
  199   1HH2  ARG  24          1HH2      ARG  24  -9.291   2.370   5.212
  200   2HH2  ARG  24          2HH2      ARG  24 -10.241   3.514   6.069
  201    H    ALA  25           H        ALA  25  -5.467  -2.785  11.868
  202    HA   ALA  25           HA       ALA  25  -6.400  -1.838  14.282
  203   1HB   ALA  25          1HB       ALA  25  -6.489  -4.213  13.525
  204   2HB   ALA  25          2HB       ALA  25  -4.724  -4.304  13.548
  205   3HB   ALA  25          3HB       ALA  25  -5.619  -4.148  15.080
  206    H    GLN  26           H        GLN  26  -3.039  -2.331  13.211
  207    HA   GLN  26           HA       GLN  26  -1.941  -1.472  15.752
  208   1HB   GLN  26          1HB       GLN  26  -0.750  -1.932  12.986
  209   2HB   GLN  26          2HB       GLN  26   0.213  -1.447  14.385
  210   1HG   GLN  26          1HG       GLN  26  -1.477  -3.982  14.344
  211   2HG   GLN  26          2HG       GLN  26   0.184  -3.953  13.795
  212   2HE2  GLN  26          2HE2      GLN  26   1.674  -4.634  15.374
  213   1HE2  GLN  26          1HE2      GLN  26   1.352  -4.424  17.072
  214    H    ALA  27           H        ALA  27  -2.817   0.201  12.737
  215    HA   ALA  27           HA       ALA  27  -1.591   2.663  13.423
  216   1HB   ALA  27          1HB       ALA  27  -2.495   2.142  11.138
  217   2HB   ALA  27          2HB       ALA  27  -4.125   2.060  11.841
  218   3HB   ALA  27          3HB       ALA  27  -3.242   3.607  11.807
  219    H    GLU  28           H        GLU  28  -4.760   1.197  14.343
  220    HA   GLU  28           HA       GLU  28  -5.673   3.490  15.709
  221   1HB   GLU  28          1HB       GLU  28  -6.310   0.529  15.821
  222   2HB   GLU  28          2HB       GLU  28  -7.168   1.710  16.850
  223   1HG   GLU  28          1HG       GLU  28  -7.761   2.921  14.650
  224   2HG   GLU  28          2HG       GLU  28  -7.146   1.461  13.821
  225    H    LYS  29           H        LYS  29  -3.875   0.559  16.779
  226    HA   LYS  29           HA       LYS  29  -3.884   1.159  19.514
  227   1HB   LYS  29          1HB       LYS  29  -3.283  -1.038  18.533
  228   2HB   LYS  29          2HB       LYS  29  -1.827  -0.341  17.848
  229   1HG   LYS  29          1HG       LYS  29  -1.031   0.260  20.143
  230   2HG   LYS  29          2HG       LYS  29  -2.516  -0.407  20.827
  231   1HD   LYS  29          1HD       LYS  29  -1.910  -2.638  20.212
  232   2HD   LYS  29          2HD       LYS  29  -0.522  -2.059  19.253
  233   1HE   LYS  29          1HE       LYS  29   0.209  -2.949  21.447
  234   2HE   LYS  29          2HE       LYS  29   0.552  -1.219  21.326
  235   1HZ   LYS  29          1HZ       LYS  29  -1.444  -0.816  22.566
  236   2HZ   LYS  29          2HZ       LYS  29  -1.733  -2.416  22.704
  237   3HZ   LYS  29          3HZ       LYS  29  -0.412  -1.757  23.407
  238    H    TYR  30           H        TYR  30  -1.461   1.961  16.985
  239    HA   TYR  30           HA       TYR  30   0.118   3.475  18.933
  240   1HB   TYR  30          1HB       TYR  30   0.618   2.606  16.071
  241   2HB   TYR  30          2HB       TYR  30   1.727   3.607  16.991
  242    HD1  TYR  30           HD1      TYR  30   0.956   0.334  16.010
  243    HD2  TYR  30           HD2      TYR  30   2.370   2.537  19.428
  244    HE1  TYR  30           HE1      TYR  30   1.679  -1.753  17.047
  245    HE2  TYR  30           HE2      TYR  30   3.143   0.476  20.453
  246    HH   TYR  30           HH       TYR  30   3.346  -1.726  20.241
  247    H    GLU  31           H        GLU  31  -2.561   4.408  17.882
  248    HA   GLU  31           HA       GLU  31  -3.542   6.011  16.744
  249   1HB   GLU  31          1HB       GLU  31  -3.286   8.145  18.013
  250   2HB   GLU  31          2HB       GLU  31  -3.623   6.688  18.954
  251   1HG   GLU  31          1HG       GLU  31  -1.331   6.521  19.654
  252   2HG   GLU  31          2HG       GLU  31  -0.867   7.905  18.642
  253    H    VAL  32           H        VAL  32  -2.247   5.465  14.833
  254    HA   VAL  32           HA       VAL  32  -0.676   7.728  13.776
  255    HB   VAL  32           HB       VAL  32  -1.201   4.998  12.585
  256   1HG1  VAL  32          1HG1      VAL  32  -0.459   6.732  10.957
  257   2HG1  VAL  32          2HG1      VAL  32   0.948   7.089  11.985
  258   3HG1  VAL  32          3HG1      VAL  32   0.803   5.504  11.203
  259   1HG2  VAL  32          1HG2      VAL  32   0.016   4.664  14.665
  260   2HG2  VAL  32          2HG2      VAL  32   1.059   4.342  13.266
  261   3HG2  VAL  32          3HG2      VAL  32   1.239   5.862  14.176
  262    HA   PRO  33           HA       PRO  33  -4.674   8.591  11.975
  263   1HB   PRO  33          1HB       PRO  33  -4.232  11.207  11.213
  264   2HB   PRO  33          2HB       PRO  33  -4.580  10.743  12.892
  265   1HG   PRO  33          1HG       PRO  33  -1.869  11.259  11.589
  266   2HG   PRO  33          2HG       PRO  33  -2.465  11.810  13.180
  267   1HD   PRO  33          1HD       PRO  33  -0.851   9.614  12.899
  268   2HD   PRO  33          2HD       PRO  33  -2.083   9.720  14.182
  269    H    VAL  34           H        VAL  34  -4.410   7.076  10.373
  270    HA   VAL  34           HA       VAL  34  -3.843   8.108   7.676
  271    HB   VAL  34           HB       VAL  34  -2.718   6.000   7.132
  272   1HG1  VAL  34          1HG1      VAL  34  -1.306   7.773   9.140
  273   2HG1  VAL  34          2HG1      VAL  34  -0.517   6.637   8.020
  274   3HG1  VAL  34          3HG1      VAL  34  -1.430   8.022   7.380
  275   1HG2  VAL  34          1HG2      VAL  34  -2.472   5.680  10.152
  276   2HG2  VAL  34          2HG2      VAL  34  -3.355   4.592   9.060
  277   3HG2  VAL  34          3HG2      VAL  34  -1.589   4.720   8.940
  278    H    ILE  35           H        ILE  35  -4.755   7.109   6.016
  279    HA   ILE  35           HA       ILE  35  -7.024   5.295   6.584
  280    HB   ILE  35           HB       ILE  35  -6.639   7.393   4.426
  281   1HG1  ILE  35          1HG1      ILE  35  -8.775   7.154   6.553
  282   2HG1  ILE  35          2HG1      ILE  35  -7.292   8.092   6.772
  283   1HG2  ILE  35          1HG2      ILE  35  -8.945   5.440   4.814
  284   2HG2  ILE  35          2HG2      ILE  35  -8.904   6.785   3.650
  285   3HG2  ILE  35          3HG2      ILE  35  -7.770   5.424   3.478
  286   1HD1  ILE  35          1HD1      ILE  35  -7.948   9.552   4.865
  287   2HD1  ILE  35          2HD1      ILE  35  -9.450   8.615   4.701
  288   3HD1  ILE  35          3HD1      ILE  35  -9.149   9.553   6.174
  289    H    ILE  36           H        ILE  36  -6.371   3.310   6.264
  290    HA   ILE  36           HA       ILE  36  -4.615   2.730   3.964
  291    HB   ILE  36           HB       ILE  36  -5.091   1.040   6.439
  292   1HG1  ILE  36          1HG1      ILE  36  -2.543   2.592   5.947
  293   2HG1  ILE  36          2HG1      ILE  36  -3.939   3.367   6.717
  294   1HG2  ILE  36          1HG2      ILE  36  -4.336  -0.193   4.454
  295   2HG2  ILE  36          2HG2      ILE  36  -2.961   0.907   4.255
  296   3HG2  ILE  36          3HG2      ILE  36  -3.054  -0.141   5.687
  297   1HD1  ILE  36          1HD1      ILE  36  -3.919   1.640   8.490
  298   2HD1  ILE  36          2HD1      ILE  36  -2.543   0.845   7.683
  299   3HD1  ILE  36          3HD1      ILE  36  -2.354   2.473   8.383
  300    H    GLU  37           H        GLU  37  -5.613   1.897   2.282
  301    HA   GLU  37           HA       GLU  37  -7.914   0.058   2.578
  302   1HB   GLU  37          1HB       GLU  37  -7.768   2.427   0.690
  303   2HB   GLU  37          2HB       GLU  37  -9.025   1.194   0.710
  304   1HG   GLU  37          1HG       GLU  37  -9.706   1.892   2.991
  305   2HG   GLU  37          2HG       GLU  37  -8.496   3.188   2.943
  306    H    ALA  38           H        ALA  38  -8.271  -1.316   0.859
  307    HA   ALA  38           HA       ALA  38  -6.032  -1.557  -1.048
  308   1HB   ALA  38          1HB       ALA  38  -7.635  -3.788   0.293
  309   2HB   ALA  38          2HB       ALA  38  -6.417  -4.026  -0.981
  310   3HB   ALA  38          3HB       ALA  38  -5.929  -3.382   0.601
  311    H    PHE  39           H        PHE  39  -6.457  -1.908  -3.133
  312    HA   PHE  39           HA       PHE  39  -9.181  -2.410  -4.050
  313   1HB   PHE  39          1HB       PHE  39  -7.477  -0.021  -4.807
  314   2HB   PHE  39          2HB       PHE  39  -8.933  -0.496  -5.689
  315    HD1  PHE  39           HD1      PHE  39 -11.151  -0.665  -4.303
  316    HD2  PHE  39           HD2      PHE  39  -7.662   1.463  -2.966
  317    HE1  PHE  39           HE1      PHE  39 -12.498   0.502  -2.607
  318    HE2  PHE  39           HE2      PHE  39  -9.046   2.736  -1.395
  319    HZ   PHE  39           HZ       PHE  39 -11.417   2.170  -1.127
  320    HA   PRO  40           HA       PRO  40  -6.962  -4.572  -7.324
  321   1HB   PRO  40          1HB       PRO  40  -8.763  -4.054  -9.437
  322   2HB   PRO  40          2HB       PRO  40  -8.771  -5.491  -8.377
  323   1HG   PRO  40          1HG       PRO  40 -10.456  -3.033  -8.276
  324   2HG   PRO  40          2HG       PRO  40 -10.816  -4.712  -7.757
  325   1HD   PRO  40          1HD       PRO  40 -10.281  -2.736  -5.938
  326   2HD   PRO  40          2HD       PRO  40  -9.833  -4.433  -5.646
  327    H    GLU  41           H        GLU  41  -5.825  -4.214  -9.273
  328    HA   GLU  41           HA       GLU  41  -4.432  -1.782  -9.202
  329   1HB   GLU  41          1HB       GLU  41  -3.000  -2.829 -10.780
  330   2HB   GLU  41          2HB       GLU  41  -3.637  -4.200  -9.870
  331   1HG   GLU  41          1HG       GLU  41  -4.703  -3.320 -12.523
  332   2HG   GLU  41          2HG       GLU  41  -3.379  -4.522 -12.228
  333    H    THR  42           H        THR  42  -7.143  -2.715 -11.146
  334    HA   THR  42           HA       THR  42  -7.032  -0.949 -13.261
  335    HB   THR  42           HB       THR  42  -9.545  -1.015 -13.107
  336    HG1  THR  42           HG1      THR  42 -10.376  -2.502 -11.461
  337   1HG2  THR  42          1HG2      THR  42  -8.111  -3.691 -12.875
  338   2HG2  THR  42          2HG2      THR  42  -9.754  -3.455 -13.505
  339   3HG2  THR  42          3HG2      THR  42  -8.366  -2.739 -14.359
  340    H    LEU  43           H        LEU  43  -7.753  -0.247  -9.930
  341    HA   LEU  43           HA       LEU  43  -8.693   2.452 -10.598
  342   1HB   LEU  43          1HB       LEU  43  -8.683   0.825  -8.049
  343   2HB   LEU  43          2HB       LEU  43  -9.357   2.466  -8.154
  344    HG   LEU  43           HG       LEU  43 -10.329   0.205  -9.935
  345   1HD1  LEU  43          1HD1      LEU  43 -11.454   1.092  -7.256
  346   2HD1  LEU  43          2HD1      LEU  43 -12.226  -0.028  -8.408
  347   3HD1  LEU  43          3HD1      LEU  43 -10.699  -0.486  -7.632
  348   1HD2  LEU  43          1HD2      LEU  43 -10.868   2.512 -10.685
  349   2HD2  LEU  43          2HD2      LEU  43 -12.317   1.626 -10.172
  350   3HD2  LEU  43          3HD2      LEU  43 -11.613   2.852  -9.106
  351    H    ALA  44           H        ALA  44  -5.786   1.415 -10.515
  352    HA   ALA  44           HA       ALA  44  -4.476   2.847  -8.511
  353   1HB   ALA  44          1HB       ALA  44  -3.478   1.893 -11.238
  354   2HB   ALA  44          2HB       ALA  44  -3.397   0.978  -9.723
  355   3HB   ALA  44          3HB       ALA  44  -2.418   2.448  -9.924
  356    H    GLY  45           H        GLY  45  -5.119   3.760 -11.945
  357   1HA   GLY  45          1HA       GLY  45  -4.982   5.712 -13.040
  358   2HA   GLY  45          2HA       GLY  45  -3.871   6.321 -11.765
  359    H    GLU  46           H        GLU  46  -6.922   5.137 -10.688
  360    HA   GLU  46           HA       GLU  46  -8.121   7.740 -10.874
  361   1HB   GLU  46          1HB       GLU  46  -9.000   5.183 -11.212
  362   2HB   GLU  46          2HB       GLU  46  -9.462   5.399  -9.516
  363   1HG   GLU  46          1HG       GLU  46 -10.859   7.333 -10.072
  364   2HG   GLU  46          2HG       GLU  46 -10.355   7.221 -11.776
  365    H    LYS  47           H        LYS  47  -7.693   5.355  -8.230
  366    HA   LYS  47           HA       LYS  47  -8.251   7.337  -6.191
  367   1HB   LYS  47          1HB       LYS  47  -7.670   4.374  -6.203
  368   2HB   LYS  47          2HB       LYS  47  -7.707   5.299  -4.700
  369   1HG   LYS  47          1HG       LYS  47 -10.022   5.932  -5.028
  370   2HG   LYS  47          2HG       LYS  47  -9.988   5.455  -6.719
  371   1HD   LYS  47          1HD       LYS  47  -9.835   3.097  -6.102
  372   2HD   LYS  47          2HD       LYS  47  -9.608   3.523  -4.400
  373   1HE   LYS  47          1HE       LYS  47 -12.112   4.342  -5.909
  374   2HE   LYS  47          2HE       LYS  47 -11.984   2.775  -5.081
  375   1HZ   LYS  47          1HZ       LYS  47 -11.612   5.389  -3.823
  376   2HZ   LYS  47          2HZ       LYS  47 -12.931   4.434  -3.685
  377   3HZ   LYS  47          3HZ       LYS  47 -11.499   3.944  -3.076
  378    H    GLY  48           H        GLY  48  -5.338   5.895  -7.570
  379   1HA   GLY  48          1HA       GLY  48  -3.167   6.229  -7.241
  380   2HA   GLY  48          2HA       GLY  48  -3.521   6.441  -5.509
  381    H    GLN  49           H        GLN  49  -5.168   8.598  -7.653
  382    HA   GLN  49           HA       GLN  49  -3.396  10.699  -7.936
  383   1HB   GLN  49          1HB       GLN  49  -6.406  10.603  -7.709
  384   2HB   GLN  49          2HB       GLN  49  -5.516  12.088  -8.098
  385   1HG   GLN  49          1HG       GLN  49  -5.321   9.497  -9.639
  386   2HG   GLN  49          2HG       GLN  49  -6.394  10.848 -10.104
  387   2HE2  GLN  49          2HE2      GLN  49  -4.381   9.649 -11.729
  388   1HE2  GLN  49          1HE2      GLN  49  -3.169  10.869 -12.063
  389    H    ASN  50           H        ASN  50  -5.280   9.703  -5.101
  390    HA   ASN  50           HA       ASN  50  -4.426  12.140  -3.675
  391   1HB   ASN  50          1HB       ASN  50  -6.854  10.355  -3.285
  392   2HB   ASN  50          2HB       ASN  50  -6.406  11.700  -2.217
  393   2HD2  ASN  50          2HD2      ASN  50  -8.298  10.883  -4.975
  394   1HD2  ASN  50          1HD2      ASN  50  -8.488  12.526  -5.544
  395    H    ALA  51           H        ALA  51  -3.044   9.430  -4.076
  396    HA   ALA  51           HA       ALA  51  -2.841   8.538  -1.296
  397   1HB   ALA  51          1HB       ALA  51  -2.914   6.849  -3.050
  398   2HB   ALA  51          2HB       ALA  51  -1.484   7.569  -3.840
  399   3HB   ALA  51          3HB       ALA  51  -1.333   6.832  -2.230
  400    H    ASP  52           H        ASP  52  -1.209   8.962   0.037
  401    HA   ASP  52           HA       ASP  52   0.986  10.687  -0.761
  402   1HB   ASP  52          1HB       ASP  52   0.163   9.508   1.921
  403   2HB   ASP  52          2HB       ASP  52   1.596  10.517   1.670
  404    H    VAL  53           H        VAL  53   0.475   7.193   0.021
  405    HA   VAL  53           HA       VAL  53   2.719   6.808  -1.759
  406    HB   VAL  53           HB       VAL  53   3.685   6.726   0.501
  407   1HG1  VAL  53          1HG1      VAL  53   1.902   4.358   0.959
  408   2HG1  VAL  53          2HG1      VAL  53   3.324   4.853   1.949
  409   3HG1  VAL  53          3HG1      VAL  53   1.911   5.960   1.761
  410   1HG2  VAL  53          1HG2      VAL  53   4.683   5.452  -1.415
  411   2HG2  VAL  53          2HG2      VAL  53   4.881   4.577   0.136
  412   3HG2  VAL  53          3HG2      VAL  53   3.634   4.099  -1.056
  413    H    VAL  54           H        VAL  54   2.332   5.307  -3.173
  414    HA   VAL  54           HA       VAL  54  -0.007   3.517  -2.952
  415    HB   VAL  54           HB       VAL  54   1.871   4.261  -5.205
  416   1HG1  VAL  54          1HG1      VAL  54  -0.685   2.595  -5.281
  417   2HG1  VAL  54          2HG1      VAL  54   0.237   3.105  -6.715
  418   3HG1  VAL  54          3HG1      VAL  54   0.966   1.981  -5.542
  419   1HG2  VAL  54          1HG2      VAL  54  -1.041   5.027  -4.728
  420   2HG2  VAL  54          2HG2      VAL  54   0.364   6.105  -4.632
  421   3HG2  VAL  54          3HG2      VAL  54  -0.111   5.401  -6.204
  422    H    LEU  55           H        LEU  55   0.365   1.582  -2.178
  423    HA   LEU  55           HA       LEU  55   3.064   0.433  -2.437
  424   1HB   LEU  55          1HB       LEU  55   0.837   0.000  -0.409
  425   2HB   LEU  55          2HB       LEU  55   2.187  -1.135  -0.567
  426    HG   LEU  55           HG       LEU  55   2.614   1.850  -0.089
  427   1HD1  LEU  55          1HD1      LEU  55   2.443  -0.467   1.932
  428   2HD1  LEU  55          2HD1      LEU  55   2.894   1.208   2.312
  429   3HD1  LEU  55          3HD1      LEU  55   1.242   0.831   1.775
  430   1HD2  LEU  55          1HD2      LEU  55   4.511   0.715  -0.960
  431   2HD2  LEU  55          2HD2      LEU  55   4.723   1.261   0.720
  432   3HD2  LEU  55          3HD2      LEU  55   4.457  -0.480   0.385
  433    H    LEU  56           H        LEU  56   3.430  -1.338  -3.456
  434    HA   LEU  56           HA       LEU  56   1.167  -2.716  -4.758
  435   1HB   LEU  56          1HB       LEU  56   4.116  -2.649  -5.517
  436   2HB   LEU  56          2HB       LEU  56   2.828  -3.352  -6.494
  437    HG   LEU  56           HG       LEU  56   3.083  -0.405  -5.809
  438   1HD1  LEU  56          1HD1      LEU  56   3.732  -1.909  -8.388
  439   2HD1  LEU  56          2HD1      LEU  56   3.763  -0.146  -8.180
  440   3HD1  LEU  56          3HD1      LEU  56   4.911  -1.158  -7.289
  441   1HD2  LEU  56          1HD2      LEU  56   0.744  -1.089  -6.280
  442   2HD2  LEU  56          2HD2      LEU  56   1.399  -0.053  -7.569
  443   3HD2  LEU  56          3HD2      LEU  56   1.279  -1.809  -7.822
  444    H    GLY  57           H        GLY  57   0.869  -4.808  -4.603
  445   1HA   GLY  57          1HA       GLY  57   1.163  -7.043  -4.201
  446   2HA   GLY  57          2HA       GLY  57   2.252  -6.560  -2.880
  447    HA   PRO  58           HA       PRO  58   5.870  -7.478  -5.163
  448   1HB   PRO  58          1HB       PRO  58   6.264 -10.182  -4.520
  449   2HB   PRO  58          2HB       PRO  58   6.801  -8.784  -3.546
  450   1HG   PRO  58          1HG       PRO  58   4.306 -10.481  -3.264
  451   2HG   PRO  58          2HG       PRO  58   5.375  -9.833  -1.991
  452   1HD   PRO  58          1HD       PRO  58   3.019  -8.603  -2.559
  453   2HD   PRO  58          2HD       PRO  58   4.463  -7.625  -2.183
  454    H    GLN  59           H        GLN  59   3.108  -9.679  -5.536
  455    HA   GLN  59           HA       GLN  59   3.842 -10.903  -7.926
  456   1HB   GLN  59          1HB       GLN  59   1.355 -11.250  -8.210
  457   2HB   GLN  59          2HB       GLN  59   2.054 -11.867  -6.726
  458   1HG   GLN  59          1HG       GLN  59   0.855  -9.119  -6.624
  459   2HG   GLN  59          2HG       GLN  59  -0.245 -10.498  -6.754
  460   2HE2  GLN  59          2HE2      GLN  59  -1.079  -9.884  -4.671
  461   1HE2  GLN  59          1HE2      GLN  59  -0.232 -10.354  -3.249
  462    H    ILE  60           H        ILE  60   2.644  -7.625  -7.474
  463    HA   ILE  60           HA       ILE  60   2.612  -7.418 -10.406
  464    HB   ILE  60           HB       ILE  60   1.127  -5.490 -10.225
  465   1HG1  ILE  60          1HG1      ILE  60   0.324  -6.218  -7.438
  466   2HG1  ILE  60          2HG1      ILE  60   1.752  -5.193  -7.656
  467   1HG2  ILE  60          1HG2      ILE  60   0.018  -8.065  -9.069
  468   2HG2  ILE  60          2HG2      ILE  60  -0.941  -6.747  -9.783
  469   3HG2  ILE  60          3HG2      ILE  60   0.206  -7.655 -10.786
  470   1HD1  ILE  60          1HD1      ILE  60   0.438  -3.626  -9.058
  471   2HD1  ILE  60          2HD1      ILE  60  -1.015  -4.603  -8.778
  472   3HD1  ILE  60          3HD1      ILE  60  -0.226  -3.774  -7.414
  473    H    ALA  61           H        ALA  61   4.846  -7.267  -8.518
  474    HA   ALA  61           HA       ALA  61   5.695  -4.572  -8.310
  475   1HB   ALA  61          1HB       ALA  61   7.928  -5.617  -7.855
  476   2HB   ALA  61          2HB       ALA  61   6.625  -6.412  -6.936
  477   3HB   ALA  61          3HB       ALA  61   7.277  -7.184  -8.406
  478    H    TYR  62           H        TYR  62   6.011  -6.922 -10.924
  479    HA   TYR  62           HA       TYR  62   7.869  -5.491 -12.494
  480   1HB   TYR  62          1HB       TYR  62   7.222  -6.905 -14.264
  481   2HB   TYR  62          2HB       TYR  62   7.140  -7.868 -12.790
  482    HD1  TYR  62           HD1      TYR  62   4.834  -8.394 -11.760
  483    HD2  TYR  62           HD2      TYR  62   5.363  -6.640 -15.666
  484    HE1  TYR  62           HE1      TYR  62   2.479  -8.875 -12.317
  485    HE2  TYR  62           HE2      TYR  62   3.059  -7.279 -16.256
  486    HH   TYR  62           HH       TYR  62   1.143  -8.094 -15.514
  487    H    MET  63           H        MET  63   4.451  -4.858 -11.870
  488    HA   MET  63           HA       MET  63   4.142  -3.057 -14.081
  489   1HB   MET  63          1HB       MET  63   2.575  -3.966 -11.685
  490   2HB   MET  63          2HB       MET  63   1.962  -2.656 -12.744
  491   1HG   MET  63          1HG       MET  63   1.846  -4.115 -14.623
  492   2HG   MET  63          2HG       MET  63   2.791  -5.370 -13.808
  493   1HE   MET  63          1HE       MET  63  -0.406  -3.211 -12.821
  494   2HE   MET  63          2HE       MET  63  -0.736  -3.862 -14.449
  495   3HE   MET  63          3HE       MET  63  -1.680  -4.437 -13.053
  496    H    LEU  64           H        LEU  64   5.988  -2.625 -11.276
  497    HA   LEU  64           HA       LEU  64   5.216  -0.144 -10.398
  498   1HB   LEU  64          1HB       LEU  64   6.866  -1.525  -9.276
  499   2HB   LEU  64          2HB       LEU  64   7.971  -1.421 -10.622
  500    HG   LEU  64           HG       LEU  64   7.801   1.135 -10.333
  501   1HD1  LEU  64          1HD1      LEU  64   5.963   1.130  -8.665
  502   2HD1  LEU  64          2HD1      LEU  64   7.017   0.265  -7.508
  503   3HD1  LEU  64          3HD1      LEU  64   7.415   1.915  -8.004
  504   1HD2  LEU  64          1HD2      LEU  64   9.848  -0.072  -9.972
  505   2HD2  LEU  64          2HD2      LEU  64   9.641   1.191  -8.739
  506   3HD2  LEU  64          3HD2      LEU  64   9.345  -0.514  -8.308
  507    HA   PRO  65           HA       PRO  65   7.783   2.131 -13.677
  508   1HB   PRO  65          1HB       PRO  65   7.972   0.938 -16.180
  509   2HB   PRO  65          2HB       PRO  65   9.289   0.980 -14.964
  510   1HG   PRO  65          1HG       PRO  65   7.263  -1.200 -15.577
  511   2HG   PRO  65          2HG       PRO  65   9.010  -1.374 -15.250
  512   1HD   PRO  65          1HD       PRO  65   7.154  -1.828 -13.262
  513   2HD   PRO  65          2HD       PRO  65   8.694  -1.025 -12.866
  514    H    GLU  66           H        GLU  66   5.098  -0.018 -14.543
  515    HA   GLU  66           HA       GLU  66   4.017   1.761 -16.495
  516   1HB   GLU  66          1HB       GLU  66   3.907  -0.831 -16.335
  517   2HB   GLU  66          2HB       GLU  66   2.669  -0.585 -15.095
  518   1HG   GLU  66          1HG       GLU  66   1.066  -0.198 -16.628
  519   2HG   GLU  66          2HG       GLU  66   2.085   0.948 -17.534
  520    H    ILE  67           H        ILE  67   3.260   0.952 -13.117
  521    HA   ILE  67           HA       ILE  67   1.056   2.794 -12.894
  522    HB   ILE  67           HB       ILE  67   2.631   1.078 -11.019
  523   1HG1  ILE  67          1HG1      ILE  67  -0.244   1.054 -12.030
  524   2HG1  ILE  67          2HG1      ILE  67   1.081   0.123 -12.717
  525   1HG2  ILE  67          1HG2      ILE  67   0.256   2.852 -10.350
  526   2HG2  ILE  67          2HG2      ILE  67   0.935   1.606  -9.257
  527   3HG2  ILE  67          3HG2      ILE  67   1.915   3.017  -9.721
  528   1HD1  ILE  67          1HD1      ILE  67   1.244  -1.172 -10.575
  529   2HD1  ILE  67          2HD1      ILE  67  -0.108  -0.200  -9.934
  530   3HD1  ILE  67          3HD1      ILE  67  -0.381  -1.275 -11.307
  531    H    GLN  68           H        GLN  68   4.566   2.971 -12.170
  532    HA   GLN  68           HA       GLN  68   4.519   5.512 -11.040
  533   1HB   GLN  68          1HB       GLN  68   6.420   3.805 -11.221
  534   2HB   GLN  68          2HB       GLN  68   6.650   4.399 -12.888
  535   1HG   GLN  68          1HG       GLN  68   7.912   6.084 -12.122
  536   2HG   GLN  68          2HG       GLN  68   6.534   6.665 -11.144
  537   2HE2  GLN  68          2HE2      GLN  68   6.718   6.575  -8.945
  538   1HE2  GLN  68          1HE2      GLN  68   7.967   5.619  -8.130
  539    H    ARG  69           H        ARG  69   4.590   4.454 -14.502
  540    HA   ARG  69           HA       ARG  69   4.790   6.900 -15.738
  541   1HB   ARG  69          1HB       ARG  69   5.085   4.831 -16.757
  542   2HB   ARG  69          2HB       ARG  69   3.466   4.280 -16.341
  543   1HG   ARG  69          1HG       ARG  69   3.749   6.650 -18.181
  544   2HG   ARG  69          2HG       ARG  69   4.071   5.037 -18.842
  545   1HD   ARG  69          1HD       ARG  69   1.721   4.517 -17.621
  546   2HD   ARG  69          2HD       ARG  69   1.536   6.267 -17.868
  547    HE   ARG  69           HE       ARG  69   1.749   5.910 -20.232
  548   1HH1  ARG  69          1HH1      ARG  69   1.661   2.829 -18.441
  549   2HH1  ARG  69          2HH1      ARG  69   1.264   1.899 -19.822
  550   1HH2  ARG  69          1HH2      ARG  69   1.062   4.643 -22.028
  551   2HH2  ARG  69          2HH2      ARG  69   0.881   2.937 -21.846
  552    H    LEU  70           H        LEU  70   1.894   5.160 -14.476
  553    HA   LEU  70           HA       LEU  70  -0.089   7.029 -15.284
  554   1HB   LEU  70          1HB       LEU  70   0.178   4.819 -13.277
  555   2HB   LEU  70          2HB       LEU  70  -1.330   5.833 -13.338
  556    HG   LEU  70           HG       LEU  70  -0.043   4.344 -15.590
  557   1HD1  LEU  70          1HD1      LEU  70  -2.267   3.401 -13.714
  558   2HD1  LEU  70          2HD1      LEU  70  -1.872   2.582 -15.238
  559   3HD1  LEU  70          3HD1      LEU  70  -0.671   2.650 -13.940
  560   1HD2  LEU  70          1HD2      LEU  70  -2.912   5.383 -15.151
  561   2HD2  LEU  70          2HD2      LEU  70  -1.745   6.086 -16.291
  562   3HD2  LEU  70          3HD2      LEU  70  -2.431   4.472 -16.589
  563    H    LEU  71           H        LEU  71   1.797   6.608 -12.301
  564    HA   LEU  71           HA       LEU  71   0.791   9.189 -11.245
  565   1HB   LEU  71          1HB       LEU  71   1.618   6.685  -9.761
  566   2HB   LEU  71          2HB       LEU  71   0.996   8.166  -9.023
  567    HG   LEU  71           HG       LEU  71  -0.631   6.588 -11.024
  568   1HD1  LEU  71          1HD1      LEU  71  -0.034   5.024  -9.219
  569   2HD1  LEU  71          2HD1      LEU  71  -0.578   6.202  -8.001
  570   3HD1  LEU  71          3HD1      LEU  71  -1.743   5.470  -9.132
  571   1HD2  LEU  71          1HD2      LEU  71  -1.406   8.866 -10.527
  572   2HD2  LEU  71          2HD2      LEU  71  -2.546   7.642  -9.921
  573   3HD2  LEU  71          3HD2      LEU  71  -1.486   8.486  -8.789
  574    HA   PRO  72           HA       PRO  72   5.351   9.242 -11.462
  575   1HB   PRO  72          1HB       PRO  72   5.778  11.495 -13.003
  576   2HB   PRO  72          2HB       PRO  72   5.418   9.906 -13.742
  577   1HG   PRO  72          1HG       PRO  72   3.540  12.241 -13.190
  578   2HG   PRO  72          2HG       PRO  72   3.645  11.219 -14.639
  579   1HD   PRO  72          1HD       PRO  72   1.759  10.747 -12.657
  580   2HD   PRO  72          2HD       PRO  72   2.447   9.438 -13.630
  581    H    ASN  73           H        ASN  73   3.087  11.462 -10.311
  582    HA   ASN  73           HA       ASN  73   5.193  12.945  -8.869
  583   1HB   ASN  73          1HB       ASN  73   2.247  13.542  -9.270
  584   2HB   ASN  73          2HB       ASN  73   3.353  14.542  -8.314
  585   2HD2  ASN  73          2HD2      ASN  73   1.815  14.906 -11.119
  586   1HD2  ASN  73          1HD2      ASN  73   3.151  15.534 -12.055
  587    H    LYS  74           H        LYS  74   4.047  10.118  -8.219
  588    HA   LYS  74           HA       LYS  74   3.409  10.682  -5.419
  589   1HB   LYS  74          1HB       LYS  74   2.234   8.531  -7.204
  590   2HB   LYS  74          2HB       LYS  74   1.903   8.678  -5.474
  591   1HG   LYS  74          1HG       LYS  74   1.036  10.644  -7.636
  592   2HG   LYS  74          2HG       LYS  74  -0.006   9.513  -6.755
  593   1HD   LYS  74          1HD       LYS  74   0.540  10.712  -4.640
  594   2HD   LYS  74          2HD       LYS  74   1.500  11.871  -5.573
  595   1HE   LYS  74          1HE       LYS  74  -0.564  12.435  -6.926
  596   2HE   LYS  74          2HE       LYS  74  -1.504  11.388  -5.878
  597   1HZ   LYS  74          1HZ       LYS  74  -0.732  12.700  -4.010
  598   2HZ   LYS  74          2HZ       LYS  74   0.058  13.706  -5.024
  599   3HZ   LYS  74          3HZ       LYS  74  -1.574  13.591  -5.093
  600    HA   PRO  75           HA       PRO  75   6.707   7.615  -5.010
  601   1HB   PRO  75          1HB       PRO  75   6.464   7.102  -2.341
  602   2HB   PRO  75          2HB       PRO  75   7.314   8.521  -2.991
  603   1HG   PRO  75          1HG       PRO  75   4.463   8.356  -1.912
  604   2HG   PRO  75          2HG       PRO  75   5.672   9.627  -1.638
  605   1HD   PRO  75          1HD       PRO  75   3.670   9.897  -3.488
  606   2HD   PRO  75          2HD       PRO  75   5.278  10.608  -3.782
  607    H    VAL  76           H        VAL  76   6.527   5.690  -5.747
  608    HA   VAL  76           HA       VAL  76   4.295   4.007  -4.858
  609    HB   VAL  76           HB       VAL  76   5.528   4.153  -7.677
  610   1HG1  VAL  76          1HG1      VAL  76   4.604   1.944  -7.108
  611   2HG1  VAL  76          2HG1      VAL  76   3.048   2.702  -6.678
  612   3HG1  VAL  76          3HG1      VAL  76   3.630   2.750  -8.366
  613   1HG2  VAL  76          1HG2      VAL  76   4.199   6.182  -7.260
  614   2HG2  VAL  76          2HG2      VAL  76   3.498   5.135  -8.517
  615   3HG2  VAL  76          3HG2      VAL  76   2.786   5.161  -6.879
  616    H    GLU  77           H        GLU  77   5.025   2.415  -3.755
  617    HA   GLU  77           HA       GLU  77   7.705   1.314  -4.315
  618   1HB   GLU  77          1HB       GLU  77   7.260   3.041  -2.255
  619   2HB   GLU  77          2HB       GLU  77   6.615   1.565  -1.521
  620   1HG   GLU  77          1HG       GLU  77   8.894   1.817  -0.803
  621   2HG   GLU  77          2HG       GLU  77   8.822   0.454  -1.922
  622    H    VAL  78           H        VAL  78   8.022  -0.802  -3.901
  623    HA   VAL  78           HA       VAL  78   5.624  -2.459  -3.733
  624    HB   VAL  78           HB       VAL  78   8.510  -3.073  -4.286
  625   1HG1  VAL  78          1HG1      VAL  78   7.259  -5.110  -3.446
  626   2HG1  VAL  78          2HG1      VAL  78   6.017  -4.852  -4.678
  627   3HG1  VAL  78          3HG1      VAL  78   7.650  -5.292  -5.168
  628   1HG2  VAL  78          1HG2      VAL  78   7.557  -1.725  -6.038
  629   2HG2  VAL  78          2HG2      VAL  78   7.853  -3.383  -6.613
  630   3HG2  VAL  78          3HG2      VAL  78   6.198  -2.863  -6.239
  631    H    ILE  79           H        ILE  79   5.145  -3.793  -2.042
  632    HA   ILE  79           HA       ILE  79   6.452  -3.565   0.530
  633    HB   ILE  79           HB       ILE  79   4.371  -5.505  -0.523
  634   1HG1  ILE  79          1HG1      ILE  79   3.770  -3.147   1.269
  635   2HG1  ILE  79          2HG1      ILE  79   3.937  -2.876  -0.456
  636   1HG2  ILE  79          1HG2      ILE  79   5.157  -4.810   2.329
  637   2HG2  ILE  79          2HG2      ILE  79   3.770  -5.824   1.848
  638   3HG2  ILE  79          3HG2      ILE  79   5.428  -6.345   1.483
  639   1HD1  ILE  79          1HD1      ILE  79   1.994  -4.854   0.831
  640   2HD1  ILE  79          2HD1      ILE  79   1.547  -3.256   0.232
  641   3HD1  ILE  79          3HD1      ILE  79   2.115  -4.493  -0.905
  642    H    ASP  80           H        ASP  80   8.052  -4.756   1.314
  643    HA   ASP  80           HA       ASP  80   9.533  -6.641  -0.117
  644   1HB   ASP  80          1HB       ASP  80  10.362  -5.412   1.834
  645   2HB   ASP  80          2HB       ASP  80   9.217  -6.271   2.882
  646    H    SER  81           H        SER  81   9.291  -8.626  -0.652
  647    HA   SER  81           HA       SER  81   6.997  -9.979  -0.457
  648   1HB   SER  81          1HB       SER  81   9.795 -11.142  -0.844
  649   2HB   SER  81          2HB       SER  81   8.279 -11.942  -1.321
  650    HG   SER  81           HG       SER  81   9.244 -10.782  -3.104
  651    H    LEU  82           H        LEU  82   9.733 -10.217   1.863
  652    HA   LEU  82           HA       LEU  82   8.761 -12.612   3.096
  653   1HB   LEU  82          1HB       LEU  82  11.054 -12.171   2.771
  654   2HB   LEU  82          2HB       LEU  82  10.961 -10.654   3.686
  655    HG   LEU  82           HG       LEU  82  10.403 -11.859   5.711
  656   1HD1  LEU  82          1HD1      LEU  82  10.783 -14.417   4.075
  657   2HD1  LEU  82          2HD1      LEU  82  10.620 -14.367   5.843
  658   3HD1  LEU  82          3HD1      LEU  82   9.263 -13.867   4.826
  659   1HD2  LEU  82          1HD2      LEU  82  12.787 -11.464   5.233
  660   2HD2  LEU  82          2HD2      LEU  82  12.567 -12.989   6.124
  661   3HD2  LEU  82          3HD2      LEU  82  12.881 -13.030   4.380
  662    H    LEU  83           H        LEU  83   8.767  -9.048   3.937
  663    HA   LEU  83           HA       LEU  83   7.424  -9.221   6.341
  664   1HB   LEU  83          1HB       LEU  83   7.268  -7.160   4.137
  665   2HB   LEU  83          2HB       LEU  83   6.422  -6.975   5.673
  666    HG   LEU  83           HG       LEU  83   9.440  -7.268   5.359
  667   1HD1  LEU  83          1HD1      LEU  83   8.527  -5.066   4.574
  668   2HD1  LEU  83          2HD1      LEU  83   7.704  -4.874   6.130
  669   3HD1  LEU  83          3HD1      LEU  83   9.479  -4.898   6.067
  670   1HD2  LEU  83          1HD2      LEU  83   7.787  -6.725   7.850
  671   2HD2  LEU  83          2HD2      LEU  83   8.692  -8.216   7.461
  672   3HD2  LEU  83          3HD2      LEU  83   9.565  -6.688   7.728
  673    H    TYR  84           H        TYR  84   6.155  -9.281   3.076
  674    HA   TYR  84           HA       TYR  84   3.381  -9.364   3.624
  675   1HB   TYR  84          1HB       TYR  84   4.679  -8.959   1.424
  676   2HB   TYR  84          2HB       TYR  84   4.762 -10.714   1.298
  677    HD1  TYR  84           HD1      TYR  84   2.679 -12.072   0.990
  678    HD2  TYR  84           HD2      TYR  84   2.613  -7.771   1.022
  679    HE1  TYR  84           HE1      TYR  84   0.549 -12.081  -0.282
  680    HE2  TYR  84           HE2      TYR  84   0.470  -7.795  -0.207
  681    HH   TYR  84           HH       TYR  84  -1.179  -9.151  -1.149
  682    H    GLY  85           H        GLY  85   5.805 -11.990   3.249
  683   1HA   GLY  85          1HA       GLY  85   5.868 -14.137   3.919
  684   2HA   GLY  85          2HA       GLY  85   4.131 -14.215   3.579
  685    H    LYS  86           H        LYS  86   6.035 -12.369   5.997
  686    HA   LYS  86           HA       LYS  86   5.275 -13.799   8.313
  687   1HB   LYS  86          1HB       LYS  86   6.113 -10.922   7.843
  688   2HB   LYS  86          2HB       LYS  86   5.965 -11.673   9.453
  689   1HG   LYS  86          1HG       LYS  86   7.741 -13.268   8.882
  690   2HG   LYS  86          2HG       LYS  86   7.908 -12.531   7.272
  691   1HD   LYS  86          1HD       LYS  86   8.420 -10.338   8.355
  692   2HD   LYS  86          2HD       LYS  86   8.357 -11.142   9.946
  693   1HE   LYS  86          1HE       LYS  86  10.204 -12.648   9.215
  694   2HE   LYS  86          2HE       LYS  86  10.282 -11.750   7.672
  695   1HZ   LYS  86          1HZ       LYS  86  10.721  -9.775   8.935
  696   2HZ   LYS  86          2HZ       LYS  86  10.677 -10.607  10.336
  697   3HZ   LYS  86          3HZ       LYS  86  11.852 -10.915   9.242
  698    H    VAL  87           H        VAL  87   3.656 -11.435   6.357
  699    HA   VAL  87           HA       VAL  87   2.041 -10.010   6.497
  700    HB   VAL  87           HB       VAL  87   0.602 -11.818   8.436
  701   1HG1  VAL  87          1HG1      VAL  87  -0.479  -9.698   7.807
  702   2HG1  VAL  87          2HG1      VAL  87  -0.384 -10.145   6.090
  703   3HG1  VAL  87          3HG1      VAL  87  -1.382 -11.110   7.201
  704   1HG2  VAL  87          1HG2      VAL  87   1.501 -13.315   6.698
  705   2HG2  VAL  87          2HG2      VAL  87  -0.264 -13.143   6.548
  706   3HG2  VAL  87          3HG2      VAL  87   0.816 -12.275   5.428
  707    H    ASP  88           H        ASP  88   3.797  -8.918   7.689
  708    HA   ASP  88           HA       ASP  88   3.146  -8.290  10.482
  709   1HB   ASP  88          1HB       ASP  88   5.444  -9.037   9.927
  710   2HB   ASP  88          2HB       ASP  88   5.610  -7.674   8.819
  711    H    GLY  89           H        GLY  89   1.476  -7.024  10.316
  712   1HA   GLY  89          1HA       GLY  89   0.220  -5.103  10.091
  713   2HA   GLY  89          2HA       GLY  89   1.018  -4.960   8.497
  714    H    LEU  90           H        LEU  90   2.749  -4.913  11.594
  715    HA   LEU  90           HA       LEU  90   2.852  -2.047  11.857
  716   1HB   LEU  90          1HB       LEU  90   2.858  -3.675  13.732
  717   2HB   LEU  90          2HB       LEU  90   4.419  -4.283  13.159
  718    HG   LEU  90           HG       LEU  90   5.399  -2.056  13.450
  719   1HD1  LEU  90          1HD1      LEU  90   2.744  -1.330  14.778
  720   2HD1  LEU  90          2HD1      LEU  90   4.216  -0.341  14.824
  721   3HD1  LEU  90          3HD1      LEU  90   3.394  -0.634  13.274
  722   1HD2  LEU  90          1HD2      LEU  90   5.623  -3.722  15.226
  723   2HD2  LEU  90          2HD2      LEU  90   5.465  -2.099  15.937
  724   3HD2  LEU  90          3HD2      LEU  90   4.074  -3.206  15.941
  725    H    GLY  91           H        GLY  91   5.077  -4.646  10.745
  726   1HA   GLY  91          1HA       GLY  91   6.849  -4.687   9.378
  727   2HA   GLY  91          2HA       GLY  91   7.348  -3.192  10.165
  728    H    VAL  92           H        VAL  92   4.569  -3.953   8.021
  729    HA   VAL  92           HA       VAL  92   5.581  -2.509   5.781
  730    HB   VAL  92           HB       VAL  92   2.808  -3.508   6.453
  731   1HG1  VAL  92          1HG1      VAL  92   4.018  -2.717   3.765
  732   2HG1  VAL  92          2HG1      VAL  92   2.420  -3.470   3.971
  733   3HG1  VAL  92          3HG1      VAL  92   2.724  -1.839   4.612
  734   1HG2  VAL  92          1HG2      VAL  92   5.049  -4.724   4.782
  735   2HG2  VAL  92          2HG2      VAL  92   4.449  -5.339   6.339
  736   3HG2  VAL  92          3HG2      VAL  92   3.405  -5.393   4.898
  737    H    LEU  93           H        LEU  93   3.411  -1.659   8.486
  738    HA   LEU  93           HA       LEU  93   2.572   0.816   7.505
  739   1HB   LEU  93          1HB       LEU  93   2.517  -0.614  10.004
  740   2HB   LEU  93          2HB       LEU  93   3.141   1.006  10.335
  741    HG   LEU  93           HG       LEU  93   0.483   0.350   8.994
  742   1HD1  LEU  93          1HD1      LEU  93   0.565  -0.163  11.410
  743   2HD1  LEU  93          2HD1      LEU  93   1.118   1.495  11.740
  744   3HD1  LEU  93          3HD1      LEU  93  -0.495   1.224  11.059
  745   1HD2  LEU  93          1HD2      LEU  93   1.618   3.056   9.824
  746   2HD2  LEU  93          2HD2      LEU  93   1.374   2.503   8.151
  747   3HD2  LEU  93          3HD2      LEU  93  -0.024   2.744   9.215
  748    H    LYS  94           H        LYS  94   5.452  -0.038   9.411
  749    HA   LYS  94           HA       LYS  94   6.557   2.579   9.596
  750   1HB   LYS  94          1HB       LYS  94   7.625  -0.242   9.832
  751   2HB   LYS  94          2HB       LYS  94   8.706   1.141   9.991
  752   1HG   LYS  94          1HG       LYS  94   7.440   2.036  11.868
  753   2HG   LYS  94          2HG       LYS  94   6.186   0.807  11.681
  754   1HD   LYS  94          1HD       LYS  94   7.781  -0.958  12.316
  755   2HD   LYS  94          2HD       LYS  94   9.100   0.222  12.372
  756   1HE   LYS  94          1HE       LYS  94   8.065   1.369  14.268
  757   2HE   LYS  94          2HE       LYS  94   6.633   0.334  14.181
  758   1HZ   LYS  94          1HZ       LYS  94   9.369  -0.569  14.696
  759   2HZ   LYS  94          2HZ       LYS  94   8.182  -0.417  15.808
  760   3HZ   LYS  94          3HZ       LYS  94   8.053  -1.531  14.621
  761    H    ALA  95           H        ALA  95   6.902   0.004   7.136
  762    HA   ALA  95           HA       ALA  95   8.949   1.323   5.710
  763   1HB   ALA  95          1HB       ALA  95   6.842  -0.738   4.906
  764   2HB   ALA  95          2HB       ALA  95   8.293  -0.375   3.934
  765   3HB   ALA  95          3HB       ALA  95   8.459  -1.117   5.549
  766    H    ALA  96           H        ALA  96   5.410   1.374   5.481
  767    HA   ALA  96           HA       ALA  96   5.214   2.960   3.179
  768   1HB   ALA  96          1HB       ALA  96   3.355   1.614   4.145
  769   2HB   ALA  96          2HB       ALA  96   3.351   2.650   5.584
  770   3HB   ALA  96          3HB       ALA  96   2.859   3.321   4.008
  771    H    VAL  97           H        VAL  97   5.315   3.813   6.659
  772    HA   VAL  97           HA       VAL  97   5.066   6.628   6.367
  773    HB   VAL  97           HB       VAL  97   5.599   4.493   8.295
  774   1HG1  VAL  97          1HG1      VAL  97   6.586   7.285   8.973
  775   2HG1  VAL  97          2HG1      VAL  97   6.271   5.999  10.181
  776   3HG1  VAL  97          3HG1      VAL  97   7.531   5.768   8.936
  777   1HG2  VAL  97          1HG2      VAL  97   3.383   5.582   8.012
  778   2HG2  VAL  97          2HG2      VAL  97   3.992   5.872   9.660
  779   3HG2  VAL  97          3HG2      VAL  97   4.103   7.152   8.443
  780    H    ALA  98           H        ALA  98   7.805   4.369   6.304
  781    HA   ALA  98           HA       ALA  98   9.854   6.282   6.377
  782   1HB   ALA  98          1HB       ALA  98   9.730   3.539   5.101
  783   2HB   ALA  98          2HB       ALA  98  11.249   4.429   5.426
  784   3HB   ALA  98          3HB       ALA  98  10.217   3.888   6.783
  785    H    ALA  99           H        ALA  99   7.993   4.834   3.655
  786    HA   ALA  99           HA       ALA  99   9.412   6.086   1.586
  787   1HB   ALA  99          1HB       ALA  99   7.948   4.101   1.296
  788   2HB   ALA  99          2HB       ALA  99   7.403   5.422   0.233
  789   3HB   ALA  99          3HB       ALA  99   6.533   5.080   1.748
  790    H    ILE 100           H        ILE 100   6.590   7.164   3.506
  791    HA   ILE 100           HA       ILE 100   6.104   9.526   1.995
  792    HB   ILE 100           HB       ILE 100   5.527   8.776   4.868
  793   1HG1  ILE 100          1HG1      ILE 100   3.608   8.775   2.516
  794   2HG1  ILE 100          2HG1      ILE 100   4.537   7.345   2.951
  795   1HG2  ILE 100          1HG2      ILE 100   5.390  11.203   4.530
  796   2HG2  ILE 100          2HG2      ILE 100   4.302  10.967   3.135
  797   3HG2  ILE 100          3HG2      ILE 100   3.752  10.542   4.773
  798   1HD1  ILE 100          1HD1      ILE 100   3.458   7.338   5.205
  799   2HD1  ILE 100          2HD1      ILE 100   2.485   8.739   4.711
  800   3HD1  ILE 100          3HD1      ILE 100   2.287   7.184   3.879
  801    H    LYS 101           H        LYS 101   8.045   8.829   4.941
  802    HA   LYS 101           HA       LYS 101   9.022  11.389   5.400
  803   1HB   LYS 101          1HB       LYS 101  10.187   8.669   5.865
  804   2HB   LYS 101          2HB       LYS 101  11.038  10.171   6.350
  805   1HG   LYS 101          1HG       LYS 101   8.926  10.750   7.697
  806   2HG   LYS 101          2HG       LYS 101   8.422   9.057   7.431
  807   1HD   LYS 101          1HD       LYS 101   9.436   9.002   9.461
  808   2HD   LYS 101          2HD       LYS 101  10.699   8.391   8.362
  809   1HE   LYS 101          1HE       LYS 101  11.644  10.765   8.285
  810   2HE   LYS 101          2HE       LYS 101  10.514  11.164   9.603
  811   1HZ   LYS 101          1HZ       LYS 101  11.536   9.422  10.881
  812   2HZ   LYS 101          2HZ       LYS 101  12.603   9.123   9.675
  813   3HZ   LYS 101          3HZ       LYS 101  12.629  10.558  10.445
  814    H    LYS 102           H        LYS 102  10.344   8.797   3.177
  815    HA   LYS 102           HA       LYS 102  12.720  10.048   2.508
  816   1HB   LYS 102          1HB       LYS 102  12.112   7.724   2.359
  817   2HB   LYS 102          2HB       LYS 102  10.984   8.070   1.020
  818   1HG   LYS 102          1HG       LYS 102  12.841   8.828  -0.385
  819   2HG   LYS 102          2HG       LYS 102  13.966   8.669   0.988
  820   1HD   LYS 102          1HD       LYS 102  13.495   6.236   1.066
  821   2HD   LYS 102          2HD       LYS 102  12.360   6.411  -0.284
  822   1HE   LYS 102          1HE       LYS 102  15.312   7.140  -0.537
  823   2HE   LYS 102          2HE       LYS 102  14.679   5.533  -0.931
  824   1HZ   LYS 102          1HZ       LYS 102  13.761   8.042  -2.113
  825   2HZ   LYS 102          2HZ       LYS 102  14.779   6.974  -2.821
  826   3HZ   LYS 102          3HZ       LYS 102  13.237   6.541  -2.500
  827    H    ALA 103           H        ALA 103   9.493   9.985   1.039
  828    HA   ALA 103           HA       ALA 103   9.923  11.575  -1.239
  829   1HB   ALA 103          1HB       ALA 103   7.927  10.196  -0.980
  830   2HB   ALA 103          2HB       ALA 103   7.385  11.197   0.396
  831   3HB   ALA 103          3HB       ALA 103   7.468  11.891  -1.237
  832    H    ALA 104           H        ALA 104   8.800  12.541   2.084
  833    HA   ALA 104           HA       ALA 104   8.610  15.258   1.675
  834   1HB   ALA 104          1HB       ALA 104   9.438  13.623   4.094
  835   2HB   ALA 104          2HB       ALA 104   7.778  14.041   3.613
  836   3HB   ALA 104          3HB       ALA 104   8.895  15.325   4.157
  837    H    ALA 105           H        ALA 105  11.411  13.321   2.783
  838    HA   ALA 105           HA       ALA 105  13.385  13.692   1.468
  839   1HB   ALA 105          1HB       ALA 105  13.441  16.331   2.964
  840   2HB   ALA 105          2HB       ALA 105  14.799  15.640   2.033
  841   3HB   ALA 105          3HB       ALA 105  13.298  16.133   1.199
  842    H    ASN 106           H        ASN 106  14.036  11.946   2.523
  843    HA   ASN 106           HA       ASN 106  15.542  12.292   4.897
  844   1HB   ASN 106          1HB       ASN 106  13.116  10.451   4.835
  845   2HB   ASN 106          2HB       ASN 106  14.523  10.092   5.834
  846   2HD2  ASN 106          2HD2      ASN 106  15.112  11.545   7.502
  847   1HD2  ASN 106          1HD2      ASN 106  14.012  12.753   8.133

  No H/Q in entry =         847
  Start of MODEL    3
    1    H1   MET   1           H1       MET   1  -8.568  19.043  10.429
    2    H2   MET   1           H2       MET   1  -9.312  18.658  11.822
    3    H3   MET   1           H3       MET   1  -7.687  18.633  11.730
    4    HA   MET   1           HA       MET   1  -8.508  16.372  11.666
    5   1HB   MET   1          1HB       MET   1 -10.683  17.339  10.503
    6   2HB   MET   1          2HB       MET   1  -9.762  17.154   9.018
    7   1HG   MET   1          1HG       MET   1 -10.310  14.935  10.998
    8   2HG   MET   1          2HG       MET   1 -11.256  15.241   9.541
    9   1HE   MET   1          1HE       MET   1  -9.164  15.820   7.288
   10   2HE   MET   1          2HE       MET   1  -8.815  14.186   6.670
   11   3HE   MET   1          3HE       MET   1 -10.481  14.639   7.103
   12    H    GLU   2           H        GLU   2  -6.706  15.155  10.972
   13    HA   GLU   2           HA       GLU   2  -5.451  15.845   8.430
   14   1HB   GLU   2          1HB       GLU   2  -4.341  17.181  10.174
   15   2HB   GLU   2          2HB       GLU   2  -4.137  15.745  11.182
   16   1HG   GLU   2          1HG       GLU   2  -2.673  14.742   9.419
   17   2HG   GLU   2          2HG       GLU   2  -2.807  16.259   8.484
   18    H    LYS   3           H        LYS   3  -5.799  13.850   7.394
   19    HA   LYS   3           HA       LYS   3  -4.535  11.650   8.743
   20   1HB   LYS   3          1HB       LYS   3  -7.264  11.648   7.391
   21   2HB   LYS   3          2HB       LYS   3  -6.322  10.156   7.486
   22   1HG   LYS   3          1HG       LYS   3  -6.178  10.621  10.035
   23   2HG   LYS   3          2HG       LYS   3  -7.452  11.819   9.777
   24   1HD   LYS   3          1HD       LYS   3  -8.954  10.120   8.876
   25   2HD   LYS   3          2HD       LYS   3  -7.669   8.890   9.009
   26   1HE   LYS   3          1HE       LYS   3  -7.645   9.165  11.461
   27   2HE   LYS   3          2HE       LYS   3  -8.907  10.411  11.345
   28   1HZ   LYS   3          1HZ       LYS   3  -9.184   7.614  10.507
   29   2HZ   LYS   3          2HZ       LYS   3  -9.807   8.268  11.862
   30   3HZ   LYS   3          3HZ       LYS   3 -10.345   8.757  10.402
   31    H    LYS   4           H        LYS   4  -3.476  10.250   7.436
   32    HA   LYS   4           HA       LYS   4  -2.967  11.182   4.690
   33   1HB   LYS   4          1HB       LYS   4  -1.356   9.748   6.773
   34   2HB   LYS   4          2HB       LYS   4  -0.982   9.430   5.077
   35   1HG   LYS   4          1HG       LYS   4   0.488  11.120   5.803
   36   2HG   LYS   4          2HG       LYS   4  -0.687  11.911   4.746
   37   1HD   LYS   4          1HD       LYS   4  -1.906  12.754   6.714
   38   2HD   LYS   4          2HD       LYS   4  -0.737  11.957   7.784
   39   1HE   LYS   4          1HE       LYS   4  -0.172  14.304   7.611
   40   2HE   LYS   4          2HE       LYS   4   1.076  13.371   6.771
   41   1HZ   LYS   4          1HZ       LYS   4  -0.049  13.873   4.716
   42   2HZ   LYS   4          2HZ       LYS   4  -1.174  14.752   5.502
   43   3HZ   LYS   4          3HZ       LYS   4   0.382  15.241   5.497
   44    H    HIS   5           H        HIS   5  -2.814   9.733   2.952
   45    HA   HIS   5           HA       HIS   5  -4.526   7.375   3.281
   46   1HB   HIS   5          1HB       HIS   5  -4.132   9.331   1.003
   47   2HB   HIS   5          2HB       HIS   5  -4.811   7.728   0.710
   48    HD2  HIS   5           HD2      HIS   5  -5.576  10.623   3.336
   49    HE1  HIS   5           HE1      HIS   5  -9.191   9.275   1.730
   50    HE2  HIS   5           HE2      HIS   5  -8.125  10.938   3.333
   51    H    ILE   6           H        ILE   6  -3.686   5.464   3.145
   52    HA   ILE   6           HA       ILE   6  -1.249   4.969   1.555
   53    HB   ILE   6           HB       ILE   6  -2.198   3.615   4.096
   54   1HG1  ILE   6          1HG1      ILE   6   0.302   5.310   3.751
   55   2HG1  ILE   6          2HG1      ILE   6  -1.229   5.962   4.337
   56   1HG2  ILE   6          1HG2      ILE   6  -1.060   2.077   2.571
   57   2HG2  ILE   6          2HG2      ILE   6   0.313   3.189   2.418
   58   3HG2  ILE   6          3HG2      ILE   6  -0.032   2.409   3.980
   59   1HD1  ILE   6          1HD1      ILE   6   0.375   3.744   5.653
   60   2HD1  ILE   6          2HD1      ILE   6   0.292   5.444   6.172
   61   3HD1  ILE   6          3HD1      ILE   6  -1.163   4.423   6.260
   62    H    TYR   7           H        TYR   7  -1.997   4.075  -0.263
   63    HA   TYR   7           HA       TYR   7  -4.268   2.185  -0.063
   64   1HB   TYR   7          1HB       TYR   7  -3.430   3.910  -2.398
   65   2HB   TYR   7          2HB       TYR   7  -4.638   2.648  -2.490
   66    HD1  TYR   7           HD1      TYR   7  -5.229   5.149  -3.485
   67    HD2  TYR   7           HD2      TYR   7  -5.606   3.843   0.618
   68    HE1  TYR   7           HE1      TYR   7  -7.093   6.704  -3.145
   69    HE2  TYR   7           HE2      TYR   7  -7.398   5.425   0.958
   70    HH   TYR   7           HH       TYR   7  -8.626   7.040   0.006
   71    H    LEU   8           H        LEU   8  -4.096   0.205  -0.633
   72    HA   LEU   8           HA       LEU   8  -1.543  -0.813  -1.710
   73   1HB   LEU   8          1HB       LEU   8  -3.691  -2.000   0.066
   74   2HB   LEU   8          2HB       LEU   8  -2.597  -3.036  -0.863
   75    HG   LEU   8           HG       LEU   8  -0.703  -1.637   0.325
   76   1HD1  LEU   8          1HD1      LEU   8  -3.039  -1.026   2.129
   77   2HD1  LEU   8          2HD1      LEU   8  -1.299  -0.755   2.488
   78   3HD1  LEU   8          3HD1      LEU   8  -2.093   0.145   1.168
   79   1HD2  LEU   8          1HD2      LEU   8  -2.500  -3.519   1.915
   80   2HD2  LEU   8          2HD2      LEU   8  -1.176  -4.017   0.828
   81   3HD2  LEU   8          3HD2      LEU   8  -0.819  -3.103   2.305
   82    H    PHE   9           H        PHE   9  -1.440  -1.921  -3.507
   83    HA   PHE   9           HA       PHE   9  -3.927  -2.471  -4.987
   84   1HB   PHE   9          1HB       PHE   9  -1.440  -1.031  -5.991
   85   2HB   PHE   9          2HB       PHE   9  -2.624  -1.756  -7.075
   86    HD1  PHE   9           HD1      PHE   9  -2.041   0.905  -4.569
   87    HD2  PHE   9           HD2      PHE   9  -4.856  -0.756  -7.353
   88    HE1  PHE   9           HE1      PHE   9  -3.196   3.079  -4.701
   89    HE2  PHE   9           HE2      PHE   9  -6.115   1.349  -7.327
   90    HZ   PHE   9           HZ       PHE   9  -5.205   3.302  -6.149
   91    H    SER  11           H        SER  11  -3.200  -7.920  -8.025
   92    HA   SER  11           HA       SER  11  -4.592  -6.819 -10.161
   93   1HB   SER  11          1HB       SER  11  -3.358  -8.989 -10.233
   94   2HB   SER  11          2HB       SER  11  -4.590  -9.704  -9.171
   95    HG   SER  11           HG       SER  11  -4.811 -10.107 -11.555
   96    H    ALA  12           H        ALA  12  -5.979  -8.529  -7.323
   97    HA   ALA  12           HA       ALA  12  -8.651  -7.945  -8.467
   98   1HB   ALA  12          1HB       ALA  12  -8.117 -10.314  -8.135
   99   2HB   ALA  12          2HB       ALA  12  -7.745 -10.009  -6.427
  100   3HB   ALA  12          3HB       ALA  12  -9.418  -9.804  -7.029
  101    H    GLY  13           H        GLY  13  -6.698  -7.324  -5.587
  102   1HA   GLY  13          1HA       GLY  13  -8.631  -5.473  -4.567
  103   2HA   GLY  13          2HA       GLY  13  -7.031  -5.878  -3.909
  104    H    MET  14           H        MET  14  -7.551  -8.752  -3.650
  105    HA   MET  14           HA       MET  14  -9.497  -8.646  -1.448
  106   1HB   MET  14          1HB       MET  14  -9.936 -11.081  -1.856
  107   2HB   MET  14          2HB       MET  14 -10.510  -9.985  -3.116
  108   1HG   MET  14          1HG       MET  14  -8.922 -10.666  -4.643
  109   2HG   MET  14          2HG       MET  14  -7.820 -11.284  -3.390
  110   1HE   MET  14          1HE       MET  14 -11.709 -12.026  -3.924
  111   2HE   MET  14          2HE       MET  14 -11.034 -12.029  -5.574
  112   3HE   MET  14          3HE       MET  14 -11.612 -13.545  -4.845
  113    H    SER  15           H        SER  15  -6.510 -10.498  -2.456
  114    HA   SER  15           HA       SER  15  -6.172 -11.794  -0.057
  115   1HB   SER  15          1HB       SER  15  -4.033 -10.865  -2.023
  116   2HB   SER  15          2HB       SER  15  -3.865 -12.158  -0.822
  117    HG   SER  15           HG       SER  15  -4.420 -12.909  -2.980
  118    H    THR  16           H        THR  16  -5.213  -8.508  -0.959
  119    HA   THR  16           HA       THR  16  -3.338  -7.935   1.063
  120    HB   THR  16           HB       THR  16  -4.137  -5.570   0.462
  121    HG1  THR  16           HG1      THR  16  -5.391  -5.598  -1.580
  122   1HG2  THR  16          1HG2      THR  16  -2.110  -6.567  -0.494
  123   2HG2  THR  16          2HG2      THR  16  -3.072  -7.390  -1.738
  124   3HG2  THR  16          3HG2      THR  16  -2.977  -5.610  -1.718
  125    H    SER  17           H        SER  17  -6.892  -8.104   1.260
  126    HA   SER  17           HA       SER  17  -7.339  -5.966   2.890
  127   1HB   SER  17          1HB       SER  17  -9.499  -7.002   3.383
  128   2HB   SER  17          2HB       SER  17  -9.058  -7.238   1.675
  129    HG   SER  17           HG       SER  17  -9.792  -9.225   2.523
  130    H    LEU  18           H        LEU  18  -6.468  -9.255   3.900
  131    HA   LEU  18           HA       LEU  18  -6.873  -8.758   6.683
  132   1HB   LEU  18          1HB       LEU  18  -6.775 -11.099   5.803
  133   2HB   LEU  18          2HB       LEU  18  -5.096 -10.848   5.299
  134    HG   LEU  18           HG       LEU  18  -4.493 -10.434   7.638
  135   1HD1  LEU  18          1HD1      LEU  18  -7.270 -11.552   8.226
  136   2HD1  LEU  18          2HD1      LEU  18  -5.975 -11.345   9.425
  137   3HD1  LEU  18          3HD1      LEU  18  -6.680  -9.920   8.637
  138   1HD2  LEU  18          1HD2      LEU  18  -5.685 -13.155   6.949
  139   2HD2  LEU  18          2HD2      LEU  18  -4.041 -12.590   6.564
  140   3HD2  LEU  18          3HD2      LEU  18  -4.518 -12.862   8.252
  141    H    LEU  19           H        LEU  19  -3.876  -8.607   4.699
  142    HA   LEU  19           HA       LEU  19  -2.235  -7.785   6.799
  143   1HB   LEU  19          1HB       LEU  19  -1.904  -8.337   4.128
  144   2HB   LEU  19          2HB       LEU  19  -1.821  -6.581   4.087
  145    HG   LEU  19           HG       LEU  19  -0.156  -8.305   5.980
  146   1HD1  LEU  19          1HD1      LEU  19   0.581  -7.251   3.230
  147   2HD1  LEU  19          2HD1      LEU  19   1.687  -8.021   4.399
  148   3HD1  LEU  19          3HD1      LEU  19   0.343  -8.959   3.691
  149   1HD2  LEU  19          1HD2      LEU  19   0.283  -5.458   4.979
  150   2HD2  LEU  19          2HD2      LEU  19  -0.275  -5.904   6.613
  151   3HD2  LEU  19          3HD2      LEU  19   1.351  -6.373   6.067
  152    H    VAL  20           H        VAL  20  -4.446  -5.912   4.751
  153    HA   VAL  20           HA       VAL  20  -3.709  -3.327   5.514
  154    HB   VAL  20           HB       VAL  20  -6.333  -4.542   4.680
  155   1HG1  VAL  20          1HG1      VAL  20  -5.606  -1.581   4.727
  156   2HG1  VAL  20          2HG1      VAL  20  -7.049  -2.273   3.954
  157   3HG1  VAL  20          3HG1      VAL  20  -6.845  -2.396   5.718
  158   1HG2  VAL  20          1HG2      VAL  20  -4.220  -2.906   3.177
  159   2HG2  VAL  20          2HG2      VAL  20  -4.507  -4.650   2.969
  160   3HG2  VAL  20          3HG2      VAL  20  -5.748  -3.471   2.459
  161    H    SER  21           H        SER  21  -6.294  -5.527   6.950
  162    HA   SER  21           HA       SER  21  -6.912  -3.672   8.811
  163   1HB   SER  21          1HB       SER  21  -8.126  -5.567  10.005
  164   2HB   SER  21          2HB       SER  21  -8.416  -5.476   8.242
  165    HG   SER  21           HG       SER  21  -7.980  -7.651   8.983
  166    H    LYS  22           H        LYS  22  -4.421  -6.107   8.856
  167    HA   LYS  22           HA       LYS  22  -3.689  -6.063  11.606
  168   1HB   LYS  22          1HB       LYS  22  -1.975  -6.425   9.086
  169   2HB   LYS  22          2HB       LYS  22  -1.406  -6.753  10.710
  170   1HG   LYS  22          1HG       LYS  22  -3.881  -8.246   9.998
  171   2HG   LYS  22          2HG       LYS  22  -2.373  -8.719   9.099
  172   1HD   LYS  22          1HD       LYS  22  -1.275  -8.978  11.219
  173   2HD   LYS  22          2HD       LYS  22  -2.885  -8.610  12.017
  174   1HE   LYS  22          1HE       LYS  22  -3.875 -10.581  10.993
  175   2HE   LYS  22          2HE       LYS  22  -2.405 -10.907  10.044
  176   1HZ   LYS  22          1HZ       LYS  22  -2.595 -11.008  12.954
  177   2HZ   LYS  22          2HZ       LYS  22  -2.532 -12.288  11.940
  178   3HZ   LYS  22          3HZ       LYS  22  -1.249 -11.288  12.067
  179    H    MET  23           H        MET  23  -2.613  -4.035   8.911
  180    HA   MET  23           HA       MET  23  -0.970  -2.513  10.733
  181   1HB   MET  23          1HB       MET  23  -0.469  -1.068   8.766
  182   2HB   MET  23          2HB       MET  23   0.109  -2.738   8.715
  183   1HG   MET  23          1HG       MET  23  -1.891  -3.302   7.287
  184   2HG   MET  23          2HG       MET  23  -2.267  -1.568   7.207
  185   1HE   MET  23          1HE       MET  23  -0.970   0.088   5.588
  186   2HE   MET  23          2HE       MET  23   0.434  -0.049   6.678
  187   3HE   MET  23          3HE       MET  23   0.654  -0.257   4.936
  188    H    ARG  24           H        ARG  24  -4.252  -2.215   9.568
  189    HA   ARG  24           HA       ARG  24  -4.594   0.470  10.465
  190   1HB   ARG  24          1HB       ARG  24  -6.510  -1.885  10.340
  191   2HB   ARG  24          2HB       ARG  24  -7.007  -0.303  10.938
  192   1HG   ARG  24          1HG       ARG  24  -6.245   0.625   8.669
  193   2HG   ARG  24          2HG       ARG  24  -6.219  -1.052   8.109
  194   1HD   ARG  24          1HD       ARG  24  -8.642  -1.196   9.177
  195   2HD   ARG  24          2HD       ARG  24  -8.599   0.546   9.142
  196    HE   ARG  24           HE       ARG  24  -8.563   0.449   6.736
  197   1HH1  ARG  24          1HH1      ARG  24  -8.902  -2.744   8.211
  198   2HH1  ARG  24          2HH1      ARG  24  -9.568  -3.460   6.778
  199   1HH2  ARG  24          1HH2      ARG  24  -9.581  -0.503   4.925
  200   2HH2  ARG  24          2HH2      ARG  24  -9.959  -2.173   4.903
  201    H    ALA  25           H        ALA  25  -4.901  -2.712  12.159
  202    HA   ALA  25           HA       ALA  25  -5.574  -1.622  14.601
  203   1HB   ALA  25          1HB       ALA  25  -5.815  -4.028  13.923
  204   2HB   ALA  25          2HB       ALA  25  -4.065  -4.178  13.789
  205   3HB   ALA  25          3HB       ALA  25  -4.804  -3.943  15.394
  206    H    GLN  26           H        GLN  26  -2.366  -2.333  13.218
  207    HA   GLN  26           HA       GLN  26  -0.917  -1.416  15.523
  208   1HB   GLN  26          1HB       GLN  26  -0.188  -1.751  12.574
  209   2HB   GLN  26          2HB       GLN  26   0.979  -1.228  13.786
  210   1HG   GLN  26          1HG       GLN  26  -0.539  -3.848  14.077
  211   2HG   GLN  26          2HG       GLN  26   0.947  -3.744  13.159
  212   2HE2  GLN  26          2HE2      GLN  26   2.762  -4.368  14.365
  213   1HE2  GLN  26          1HE2      GLN  26   2.854  -4.126  16.086
  214    H    ALA  27           H        ALA  27  -2.201   0.310  12.692
  215    HA   ALA  27           HA       ALA  27  -0.911   2.781  13.239
  216   1HB   ALA  27          1HB       ALA  27  -2.147   2.262  11.109
  217   2HB   ALA  27          2HB       ALA  27  -3.653   2.158  12.041
  218   3HB   ALA  27          3HB       ALA  27  -2.804   3.717  11.905
  219    H    GLU  28           H        GLU  28  -4.005   1.370  14.455
  220    HA   GLU  28           HA       GLU  28  -4.727   3.636  15.963
  221   1HB   GLU  28          1HB       GLU  28  -5.443   0.691  15.980
  222   2HB   GLU  28          2HB       GLU  28  -6.213   1.859  17.090
  223   1HG   GLU  28          1HG       GLU  28  -7.064   3.138  15.184
  224   2HG   GLU  28          2HG       GLU  28  -6.210   2.071  14.041
  225    H    LYS  29           H        LYS  29  -2.807   0.730  16.724
  226    HA   LYS  29           HA       LYS  29  -2.554   1.150  19.493
  227   1HB   LYS  29          1HB       LYS  29  -1.971  -0.938  18.265
  228   2HB   LYS  29          2HB       LYS  29  -0.620  -0.129  17.518
  229   1HG   LYS  29          1HG       LYS  29   0.312   0.343  19.845
  230   2HG   LYS  29          2HG       LYS  29  -1.010  -0.625  20.512
  231   1HD   LYS  29          1HD       LYS  29  -0.209  -2.602  19.344
  232   2HD   LYS  29          2HD       LYS  29   1.064  -1.643  18.541
  233   1HE   LYS  29          1HE       LYS  29   0.862  -2.032  21.561
  234   2HE   LYS  29          2HE       LYS  29   1.905  -2.980  20.488
  235   1HZ   LYS  29          1HZ       LYS  29   2.010  -0.074  20.813
  236   2HZ   LYS  29          2HZ       LYS  29   3.055  -1.152  21.464
  237   3HZ   LYS  29          3HZ       LYS  29   2.970  -0.970  19.844
  238    H    TYR  30           H        TYR  30  -0.491   2.205  16.761
  239    HA   TYR  30           HA       TYR  30   1.277   3.706  18.562
  240   1HB   TYR  30          1HB       TYR  30   1.397   2.923  15.637
  241   2HB   TYR  30          2HB       TYR  30   2.552   4.019  16.380
  242    HD1  TYR  30           HD1      TYR  30   1.802   0.641  15.603
  243    HD2  TYR  30           HD2      TYR  30   3.769   3.076  18.562
  244    HE1  TYR  30           HE1      TYR  30   3.006  -1.319  16.401
  245    HE2  TYR  30           HE2      TYR  30   5.069   1.157  19.292
  246    HH   TYR  30           HH       TYR  30   5.530  -1.080  18.854
  247    H    GLU  31           H        GLU  31  -1.538   4.582  17.981
  248    HA   GLU  31           HA       GLU  31  -2.767   6.092  16.947
  249   1HB   GLU  31          1HB       GLU  31  -2.531   8.227  18.132
  250   2HB   GLU  31          2HB       GLU  31  -2.506   6.789  19.157
  251   1HG   GLU  31          1HG       GLU  31  -0.062   6.925  19.306
  252   2HG   GLU  31          2HG       GLU  31  -0.083   8.411  18.336
  253    H    VAL  32           H        VAL  32  -1.716   5.556  14.855
  254    HA   VAL  32           HA       VAL  32  -0.577   7.946  13.554
  255    HB   VAL  32           HB       VAL  32  -0.842   5.102  12.562
  256   1HG1  VAL  32          1HG1      VAL  32   0.856   7.439  11.565
  257   2HG1  VAL  32          2HG1      VAL  32   0.903   5.788  10.917
  258   3HG1  VAL  32          3HG1      VAL  32  -0.575   6.766  10.746
  259   1HG2  VAL  32          1HG2      VAL  32   1.616   6.426  13.768
  260   2HG2  VAL  32          2HG2      VAL  32   0.670   5.086  14.465
  261   3HG2  VAL  32          3HG2      VAL  32   1.573   4.840  12.957
  262    HA   PRO  33           HA       PRO  33  -4.856   8.129  12.229
  263   1HB   PRO  33          1HB       PRO  33  -4.947  10.780  11.496
  264   2HB   PRO  33          2HB       PRO  33  -5.003  10.266  13.195
  265   1HG   PRO  33          1HG       PRO  33  -2.592  11.217  11.579
  266   2HG   PRO  33          2HG       PRO  33  -3.071  11.679  13.238
  267   1HD   PRO  33          1HD       PRO  33  -1.170   9.774  12.717
  268   2HD   PRO  33          2HD       PRO  33  -2.216   9.695  14.158
  269    H    VAL  34           H        VAL  34  -4.672   6.728  10.545
  270    HA   VAL  34           HA       VAL  34  -4.300   7.903   7.871
  271    HB   VAL  34           HB       VAL  34  -3.109   5.863   7.183
  272   1HG1  VAL  34          1HG1      VAL  34  -1.711   7.647   9.190
  273   2HG1  VAL  34          2HG1      VAL  34  -0.907   6.577   8.016
  274   3HG1  VAL  34          3HG1      VAL  34  -1.910   7.930   7.442
  275   1HG2  VAL  34          1HG2      VAL  34  -2.712   5.438  10.173
  276   2HG2  VAL  34          2HG2      VAL  34  -3.581   4.349   9.067
  277   3HG2  VAL  34          3HG2      VAL  34  -1.832   4.583   8.886
  278    H    ILE  35           H        ILE  35  -5.075   6.907   6.182
  279    HA   ILE  35           HA       ILE  35  -7.378   5.080   6.559
  280    HB   ILE  35           HB       ILE  35  -6.760   7.185   4.466
  281   1HG1  ILE  35          1HG1      ILE  35  -7.501   8.204   6.468
  282   2HG1  ILE  35          2HG1      ILE  35  -8.727   8.335   5.200
  283   1HG2  ILE  35          1HG2      ILE  35  -7.851   5.308   3.368
  284   2HG2  ILE  35          2HG2      ILE  35  -9.158   5.341   4.572
  285   3HG2  ILE  35          3HG2      ILE  35  -8.941   6.712   3.458
  286   1HD1  ILE  35          1HD1      ILE  35 -10.057   6.572   6.305
  287   2HD1  ILE  35          2HD1      ILE  35  -8.837   6.456   7.601
  288   3HD1  ILE  35          3HD1      ILE  35  -9.759   7.953   7.379
  289    H    ILE  36           H        ILE  36  -6.726   3.086   6.184
  290    HA   ILE  36           HA       ILE  36  -4.832   2.623   3.963
  291    HB   ILE  36           HB       ILE  36  -5.297   0.819   6.359
  292   1HG1  ILE  36          1HG1      ILE  36  -2.830   2.528   5.912
  293   2HG1  ILE  36          2HG1      ILE  36  -4.238   3.108   6.813
  294   1HG2  ILE  36          1HG2      ILE  36  -4.501  -0.305   4.312
  295   2HG2  ILE  36          2HG2      ILE  36  -3.160   0.844   4.177
  296   3HG2  ILE  36          3HG2      ILE  36  -3.236  -0.280   5.561
  297   1HD1  ILE  36          1HD1      ILE  36  -4.002   1.250   8.412
  298   2HD1  ILE  36          2HD1      ILE  36  -2.580   0.647   7.524
  299   3HD1  ILE  36          3HD1      ILE  36  -2.517   2.223   8.326
  300    H    GLU  37           H        GLU  37  -5.766   1.816   2.245
  301    HA   GLU  37           HA       GLU  37  -8.094   0.013   2.426
  302   1HB   GLU  37          1HB       GLU  37  -7.891   2.505   0.728
  303   2HB   GLU  37          2HB       GLU  37  -9.127   1.263   0.539
  304   1HG   GLU  37          1HG       GLU  37  -8.774   2.941   3.042
  305   2HG   GLU  37          2HG       GLU  37  -9.991   3.208   1.789
  306    H    ALA  38           H        ALA  38  -8.409  -1.301   0.688
  307    HA   ALA  38           HA       ALA  38  -6.091  -1.585  -1.123
  308   1HB   ALA  38          1HB       ALA  38  -7.987  -3.728  -0.044
  309   2HB   ALA  38          2HB       ALA  38  -6.649  -4.009  -1.180
  310   3HB   ALA  38          3HB       ALA  38  -6.306  -3.456   0.472
  311    H    PHE  39           H        PHE  39  -6.347  -1.862  -3.263
  312    HA   PHE  39           HA       PHE  39  -9.038  -1.973  -4.407
  313   1HB   PHE  39          1HB       PHE  39  -6.897   0.073  -5.072
  314   2HB   PHE  39          2HB       PHE  39  -8.388  -0.143  -5.986
  315    HD1  PHE  39           HD1      PHE  39  -6.864   1.477  -3.118
  316    HD2  PHE  39           HD2      PHE  39 -10.622   0.280  -4.831
  317    HE1  PHE  39           HE1      PHE  39  -8.022   3.118  -1.726
  318    HE2  PHE  39           HE2      PHE  39 -11.788   1.853  -3.345
  319    HZ   PHE  39           HZ       PHE  39 -10.480   3.309  -1.826
  320    HA   PRO  40           HA       PRO  40  -6.849  -4.349  -7.575
  321   1HB   PRO  40          1HB       PRO  40  -8.598  -3.804  -9.718
  322   2HB   PRO  40          2HB       PRO  40  -8.704  -5.204  -8.615
  323   1HG   PRO  40          1HG       PRO  40 -10.263  -2.668  -8.634
  324   2HG   PRO  40          2HG       PRO  40 -10.697  -4.310  -8.050
  325   1HD   PRO  40          1HD       PRO  40 -10.078  -2.258  -6.312
  326   2HD   PRO  40          2HD       PRO  40  -9.788  -3.969  -5.929
  327    H    GLU  41           H        GLU  41  -5.695  -4.086  -9.515
  328    HA   GLU  41           HA       GLU  41  -4.259  -1.676  -9.577
  329   1HB   GLU  41          1HB       GLU  41  -2.811  -2.789 -11.019
  330   2HB   GLU  41          2HB       GLU  41  -3.534  -4.146 -10.153
  331   1HG   GLU  41          1HG       GLU  41  -4.496  -3.232 -12.837
  332   2HG   GLU  41          2HG       GLU  41  -3.150  -4.399 -12.568
  333    H    THR  42           H        THR  42  -6.993  -2.702 -11.475
  334    HA   THR  42           HA       THR  42  -6.888  -0.999 -13.645
  335    HB   THR  42           HB       THR  42  -9.396  -1.093 -13.508
  336    HG1  THR  42           HG1      THR  42 -10.188  -2.602 -11.810
  337   1HG2  THR  42          1HG2      THR  42  -7.933  -3.748 -13.190
  338   2HG2  THR  42          2HG2      THR  42  -9.562  -3.543 -13.869
  339   3HG2  THR  42          3HG2      THR  42  -8.157  -2.826 -14.695
  340    H    LEU  43           H        LEU  43  -7.672  -0.248 -10.334
  341    HA   LEU  43           HA       LEU  43  -8.541   2.487 -11.019
  342   1HB   LEU  43          1HB       LEU  43  -8.567   0.860  -8.465
  343   2HB   LEU  43          2HB       LEU  43  -9.201   2.518  -8.584
  344    HG   LEU  43           HG       LEU  43 -10.263   0.182 -10.220
  345   1HD1  LEU  43          1HD1      LEU  43 -11.366   1.412  -7.671
  346   2HD1  LEU  43          2HD1      LEU  43 -12.167   0.192  -8.697
  347   3HD1  LEU  43          3HD1      LEU  43 -10.661  -0.219  -7.846
  348   1HD2  LEU  43          1HD2      LEU  43 -10.683   2.429 -11.209
  349   2HD2  LEU  43          2HD2      LEU  43 -12.180   1.670 -10.628
  350   3HD2  LEU  43          3HD2      LEU  43 -11.419   2.958  -9.677
  351    H    ALA  44           H        ALA  44  -5.675   1.356 -10.970
  352    HA   ALA  44           HA       ALA  44  -4.287   2.616  -8.926
  353   1HB   ALA  44          1HB       ALA  44  -3.377   2.064 -11.812
  354   2HB   ALA  44          2HB       ALA  44  -2.284   2.381 -10.449
  355   3HB   ALA  44          3HB       ALA  44  -3.274   0.900 -10.484
  356    H    GLY  45           H        GLY  45  -4.989   3.971 -12.202
  357   1HA   GLY  45          1HA       GLY  45  -5.065   6.065 -12.937
  358   2HA   GLY  45          2HA       GLY  45  -3.709   6.428 -11.836
  359    H    GLU  46           H        GLU  46  -7.141   5.526 -11.459
  360    HA   GLU  46           HA       GLU  46  -8.067   8.073 -10.911
  361   1HB   GLU  46          1HB       GLU  46  -9.245   5.969 -11.744
  362   2HB   GLU  46          2HB       GLU  46  -9.323   5.439 -10.057
  363   1HG   GLU  46          1HG       GLU  46 -11.456   6.448 -10.657
  364   2HG   GLU  46          2HG       GLU  46 -10.627   7.522  -9.509
  365    H    LYS  47           H        LYS  47  -7.551   5.357  -8.628
  366    HA   LYS  47           HA       LYS  47  -8.199   7.045  -6.352
  367   1HB   LYS  47          1HB       LYS  47  -7.252   4.169  -6.594
  368   2HB   LYS  47          2HB       LYS  47  -7.530   4.966  -5.044
  369   1HG   LYS  47          1HG       LYS  47  -9.675   4.596  -7.193
  370   2HG   LYS  47          2HG       LYS  47  -9.489   3.558  -5.786
  371   1HD   LYS  47          1HD       LYS  47  -9.875   5.507  -4.288
  372   2HD   LYS  47          2HD       LYS  47 -10.105   6.542  -5.700
  373   1HE   LYS  47          1HE       LYS  47 -12.014   5.130  -6.440
  374   2HE   LYS  47          2HE       LYS  47 -11.808   4.114  -4.996
  375   1HZ   LYS  47          1HZ       LYS  47 -12.120   6.064  -3.669
  376   2HZ   LYS  47          2HZ       LYS  47 -12.313   6.994  -4.998
  377   3HZ   LYS  47          3HZ       LYS  47 -13.412   5.835  -4.648
  378    H    GLY  48           H        GLY  48  -5.222   5.927  -7.864
  379   1HA   GLY  48          1HA       GLY  48  -3.086   6.382  -7.537
  380   2HA   GLY  48          2HA       GLY  48  -3.403   6.356  -5.793
  381    H    GLN  49           H        GLN  49  -5.146   8.657  -7.807
  382    HA   GLN  49           HA       GLN  49  -3.506  10.851  -7.766
  383   1HB   GLN  49          1HB       GLN  49  -6.527  10.736  -7.522
  384   2HB   GLN  49          2HB       GLN  49  -5.599  12.188  -7.926
  385   1HG   GLN  49          1HG       GLN  49  -5.655   9.627  -9.530
  386   2HG   GLN  49          2HG       GLN  49  -6.617  11.085  -9.894
  387   2HE2  GLN  49          2HE2      GLN  49  -5.034   9.914 -11.804
  388   1HE2  GLN  49          1HE2      GLN  49  -3.669  10.958 -12.139
  389    H    ASN  50           H        ASN  50  -5.585   9.540  -5.224
  390    HA   ASN  50           HA       ASN  50  -5.247  11.886  -3.509
  391   1HB   ASN  50          1HB       ASN  50  -6.936   9.379  -3.251
  392   2HB   ASN  50          2HB       ASN  50  -6.987  10.760  -2.133
  393   2HD2  ASN  50          2HD2      ASN  50  -9.029   9.471  -4.111
  394   1HD2  ASN  50          1HD2      ASN  50  -9.549  10.876  -5.045
  395    H    ALA  51           H        ALA  51  -3.802   8.803  -3.956
  396    HA   ALA  51           HA       ALA  51  -3.287   8.132  -1.192
  397   1HB   ALA  51          1HB       ALA  51  -3.344   6.416  -2.936
  398   2HB   ALA  51          2HB       ALA  51  -1.984   7.203  -3.783
  399   3HB   ALA  51          3HB       ALA  51  -1.728   6.501  -2.174
  400    H    ASP  52           H        ASP  52  -1.672   8.802   0.075
  401    HA   ASP  52           HA       ASP  52   0.371  10.595  -0.917
  402   1HB   ASP  52          1HB       ASP  52  -0.238   9.508   1.868
  403   2HB   ASP  52          2HB       ASP  52   1.089  10.618   1.487
  404    H    VAL  53           H        VAL  53   0.133   7.152   0.083
  405    HA   VAL  53           HA       VAL  53   2.494   6.795  -1.571
  406    HB   VAL  53           HB       VAL  53   3.286   6.840   0.744
  407   1HG1  VAL  53          1HG1      VAL  53   1.443   6.068   1.899
  408   2HG1  VAL  53          2HG1      VAL  53   1.584   4.420   1.200
  409   3HG1  VAL  53          3HG1      VAL  53   2.898   5.063   2.254
  410   1HG2  VAL  53          1HG2      VAL  53   3.427   4.129  -0.674
  411   2HG2  VAL  53          2HG2      VAL  53   4.486   5.483  -1.011
  412   3HG2  VAL  53          3HG2      VAL  53   4.554   4.690   0.592
  413    H    VAL  54           H        VAL  54   2.361   5.029  -2.835
  414    HA   VAL  54           HA       VAL  54  -0.012   3.261  -2.668
  415    HB   VAL  54           HB       VAL  54   1.869   4.045  -4.870
  416   1HG1  VAL  54          1HG1      VAL  54  -0.606   2.260  -5.028
  417   2HG1  VAL  54          2HG1      VAL  54   0.294   2.834  -6.446
  418   3HG1  VAL  54          3HG1      VAL  54   1.077   1.738  -5.283
  419   1HG2  VAL  54          1HG2      VAL  54  -1.093   4.695  -4.476
  420   2HG2  VAL  54          2HG2      VAL  54   0.262   5.836  -4.391
  421   3HG2  VAL  54          3HG2      VAL  54  -0.170   5.084  -5.947
  422    H    LEU  55           H        LEU  55   0.337   1.276  -2.074
  423    HA   LEU  55           HA       LEU  55   3.063   0.168  -2.252
  424   1HB   LEU  55          1HB       LEU  55   0.830  -0.320  -0.238
  425   2HB   LEU  55          2HB       LEU  55   2.260  -1.355  -0.347
  426    HG   LEU  55           HG       LEU  55   2.463   1.659   0.078
  427   1HD1  LEU  55          1HD1      LEU  55   1.136   0.546   1.937
  428   2HD1  LEU  55          2HD1      LEU  55   2.457  -0.623   2.139
  429   3HD1  LEU  55          3HD1      LEU  55   2.734   1.095   2.495
  430   1HD2  LEU  55          1HD2      LEU  55   4.464  -0.535   0.569
  431   2HD2  LEU  55          2HD2      LEU  55   4.446   0.696  -0.742
  432   3HD2  LEU  55          3HD2      LEU  55   4.599   1.213   0.952
  433    H    LEU  56           H        LEU  56   3.394  -1.438  -3.518
  434    HA   LEU  56           HA       LEU  56   1.109  -2.789  -4.779
  435   1HB   LEU  56          1HB       LEU  56   4.066  -2.801  -5.511
  436   2HB   LEU  56          2HB       LEU  56   2.769  -3.452  -6.510
  437    HG   LEU  56           HG       LEU  56   3.037  -0.517  -5.771
  438   1HD1  LEU  56          1HD1      LEU  56   3.821  -1.978  -8.338
  439   2HD1  LEU  56          2HD1      LEU  56   3.840  -0.219  -8.094
  440   3HD1  LEU  56          3HD1      LEU  56   4.943  -1.247  -7.167
  441   1HD2  LEU  56          1HD2      LEU  56   0.732  -1.182  -6.371
  442   2HD2  LEU  56          2HD2      LEU  56   1.451  -0.139  -7.618
  443   3HD2  LEU  56          3HD2      LEU  56   1.334  -1.887  -7.896
  444    H    GLY  57           H        GLY  57   0.760  -4.883  -4.754
  445   1HA   GLY  57          1HA       GLY  57   0.981  -7.138  -4.459
  446   2HA   GLY  57          2HA       GLY  57   1.993  -6.751  -3.051
  447    HA   PRO  58           HA       PRO  58   5.718  -7.705  -5.200
  448   1HB   PRO  58          1HB       PRO  58   6.019 -10.416  -4.566
  449   2HB   PRO  58          2HB       PRO  58   6.545  -9.042  -3.556
  450   1HG   PRO  58          1HG       PRO  58   4.026 -10.696  -3.367
  451   2HG   PRO  58          2HG       PRO  58   5.065 -10.045  -2.071
  452   1HD   PRO  58          1HD       PRO  58   2.727  -8.801  -2.733
  453   2HD   PRO  58          2HD       PRO  58   4.165  -7.848  -2.271
  454    H    GLN  59           H        GLN  59   2.889  -9.770  -5.733
  455    HA   GLN  59           HA       GLN  59   3.705 -10.962  -8.124
  456   1HB   GLN  59          1HB       GLN  59   1.228 -11.268  -8.509
  457   2HB   GLN  59          2HB       GLN  59   1.859 -11.936  -7.018
  458   1HG   GLN  59          1HG       GLN  59   0.699  -9.174  -6.904
  459   2HG   GLN  59          2HG       GLN  59  -0.418 -10.533  -7.085
  460   2HE2  GLN  59          2HE2      GLN  59  -1.329 -10.024  -4.950
  461   1HE2  GLN  59          1HE2      GLN  59  -0.468 -10.533  -3.559
  462    H    ILE  60           H        ILE  60   2.516  -7.681  -7.614
  463    HA   ILE  60           HA       ILE  60   2.563  -7.389 -10.543
  464    HB   ILE  60           HB       ILE  60   1.159  -5.452 -10.358
  465   1HG1  ILE  60          1HG1      ILE  60   0.365  -6.179  -7.550
  466   2HG1  ILE  60          2HG1      ILE  60   1.741  -5.091  -7.827
  467   1HG2  ILE  60          1HG2      ILE  60  -0.042  -7.995  -9.196
  468   2HG2  ILE  60          2HG2      ILE  60  -0.973  -6.662  -9.908
  469   3HG2  ILE  60          3HG2      ILE  60   0.160  -7.602 -10.911
  470   1HD1  ILE  60          1HD1      ILE  60  -1.070  -4.622  -8.888
  471   2HD1  ILE  60          2HD1      ILE  60  -0.314  -3.786  -7.509
  472   3HD1  ILE  60          3HD1      ILE  60   0.340  -3.576  -9.150
  473    H    ALA  61           H        ALA  61   4.728  -7.320  -8.505
  474    HA   ALA  61           HA       ALA  61   5.648  -4.653  -8.234
  475   1HB   ALA  61          1HB       ALA  61   7.804  -5.777  -7.630
  476   2HB   ALA  61          2HB       ALA  61   6.412  -6.550  -6.820
  477   3HB   ALA  61          3HB       ALA  61   7.152  -7.314  -8.252
  478    H    TYR  62           H        TYR  62   6.069  -7.027 -10.807
  479    HA   TYR  62           HA       TYR  62   8.105  -5.727 -12.237
  480   1HB   TYR  62          1HB       TYR  62   7.492  -7.080 -14.060
  481   2HB   TYR  62          2HB       TYR  62   7.220  -8.039 -12.608
  482    HD1  TYR  62           HD1      TYR  62   5.820  -6.814 -15.649
  483    HD2  TYR  62           HD2      TYR  62   4.773  -8.291 -11.736
  484    HE1  TYR  62           HE1      TYR  62   3.519  -7.293 -16.424
  485    HE2  TYR  62           HE2      TYR  62   2.457  -8.616 -12.483
  486    HH   TYR  62           HH       TYR  62   1.023  -8.466 -14.169
  487    H    MET  63           H        MET  63   4.666  -4.824 -11.904
  488    HA   MET  63           HA       MET  63   4.816  -3.005 -14.120
  489   1HB   MET  63          1HB       MET  63   2.802  -3.788 -12.044
  490   2HB   MET  63          2HB       MET  63   2.503  -2.384 -13.113
  491   1HG   MET  63          1HG       MET  63   3.085  -4.104 -15.016
  492   2HG   MET  63          2HG       MET  63   2.704  -5.312 -13.784
  493   1HE   MET  63          1HE       MET  63   0.231  -5.590 -12.700
  494   2HE   MET  63          2HE       MET  63   0.277  -3.884 -12.177
  495   3HE   MET  63          3HE       MET  63  -1.131  -4.502 -13.070
  496    H    LEU  64           H        LEU  64   6.299  -2.668 -11.118
  497    HA   LEU  64           HA       LEU  64   5.510  -0.217 -10.199
  498   1HB   LEU  64          1HB       LEU  64   7.058  -1.642  -9.048
  499   2HB   LEU  64          2HB       LEU  64   8.235  -1.531 -10.327
  500    HG   LEU  64           HG       LEU  64   8.236   0.979  -9.974
  501   1HD1  LEU  64          1HD1      LEU  64   6.236   1.170  -8.508
  502   2HD1  LEU  64          2HD1      LEU  64   7.052   0.162  -7.270
  503   3HD1  LEU  64          3HD1      LEU  64   7.676   1.766  -7.656
  504   1HD2  LEU  64          1HD2      LEU  64   9.390  -0.815  -7.824
  505   2HD2  LEU  64          2HD2      LEU  64  10.123  -0.350  -9.396
  506   3HD2  LEU  64          3HD2      LEU  64   9.854   0.879  -8.140
  507    HA   PRO  65           HA       PRO  65   8.140   2.172 -13.346
  508   1HB   PRO  65          1HB       PRO  65   8.406   1.010 -15.866
  509   2HB   PRO  65          2HB       PRO  65   9.699   1.058 -14.624
  510   1HG   PRO  65          1HG       PRO  65   7.709  -1.139 -15.288
  511   2HG   PRO  65          2HG       PRO  65   9.455  -1.298 -14.942
  512   1HD   PRO  65          1HD       PRO  65   7.593  -1.796 -12.972
  513   2HD   PRO  65          2HD       PRO  65   9.093  -0.943 -12.545
  514    H    GLU  66           H        GLU  66   5.500   0.030 -14.390
  515    HA   GLU  66           HA       GLU  66   4.468   1.900 -16.304
  516   1HB   GLU  66          1HB       GLU  66   4.375  -0.706 -16.240
  517   2HB   GLU  66          2HB       GLU  66   3.027  -0.477 -15.119
  518   1HG   GLU  66          1HG       GLU  66   2.163  -0.801 -17.357
  519   2HG   GLU  66          2HG       GLU  66   1.838   0.864 -16.858
  520    H    ILE  67           H        ILE  67   3.666   0.910 -12.990
  521    HA   ILE  67           HA       ILE  67   1.348   2.536 -12.597
  522    HB   ILE  67           HB       ILE  67   3.472   1.415 -10.782
  523   1HG1  ILE  67          1HG1      ILE  67   2.299  -0.323 -11.895
  524   2HG1  ILE  67          2HG1      ILE  67   1.861  -0.321 -10.183
  525   1HG2  ILE  67          1HG2      ILE  67   0.810   2.594  -9.959
  526   2HG2  ILE  67          2HG2      ILE  67   1.901   1.692  -8.870
  527   3HG2  ILE  67          3HG2      ILE  67   2.431   3.228  -9.578
  528   1HD1  ILE  67          1HD1      ILE  67  -0.313   0.697 -10.735
  529   2HD1  ILE  67          2HD1      ILE  67   0.099   0.644 -12.471
  530   3HD1  ILE  67          3HD1      ILE  67  -0.072  -0.857 -11.550
  531    H    GLN  68           H        GLN  68   4.858   3.098 -12.072
  532    HA   GLN  68           HA       GLN  68   4.510   5.722 -11.162
  533   1HB   GLN  68          1HB       GLN  68   6.807   4.138 -12.198
  534   2HB   GLN  68          2HB       GLN  68   6.986   5.887 -11.901
  535   1HG   GLN  68          1HG       GLN  68   5.860   3.952  -9.834
  536   2HG   GLN  68          2HG       GLN  68   7.582   4.400  -9.898
  537   2HE2  GLN  68          2HE2      GLN  68   8.249   6.321  -8.962
  538   1HE2  GLN  68          1HE2      GLN  68   7.074   7.463  -8.290
  539    H    ARG  69           H        ARG  69   4.849   4.390 -14.505
  540    HA   ARG  69           HA       ARG  69   5.192   6.788 -15.860
  541   1HB   ARG  69          1HB       ARG  69   5.309   4.478 -16.729
  542   2HB   ARG  69          2HB       ARG  69   3.531   4.424 -16.741
  543   1HG   ARG  69          1HG       ARG  69   3.588   6.531 -18.209
  544   2HG   ARG  69          2HG       ARG  69   5.340   6.289 -18.344
  545   1HD   ARG  69          1HD       ARG  69   5.075   4.206 -19.471
  546   2HD   ARG  69          2HD       ARG  69   3.317   4.183 -19.150
  547    HE   ARG  69           HE       ARG  69   3.192   6.232 -20.542
  548   1HH1  ARG  69          1HH1      ARG  69   5.969   4.097 -21.077
  549   2HH1  ARG  69          2HH1      ARG  69   6.269   4.661 -22.682
  550   1HH2  ARG  69          1HH2      ARG  69   3.625   6.979 -22.675
  551   2HH2  ARG  69          2HH2      ARG  69   4.921   6.293 -23.584
  552    H    LEU  70           H        LEU  70   2.239   5.143 -14.643
  553    HA   LEU  70           HA       LEU  70   0.292   6.969 -15.562
  554   1HB   LEU  70          1HB       LEU  70   0.535   4.870 -13.420
  555   2HB   LEU  70          2HB       LEU  70  -0.950   5.897 -13.508
  556    HG   LEU  70           HG       LEU  70   0.243   4.287 -15.735
  557   1HD1  LEU  70          1HD1      LEU  70  -1.903   3.448 -13.726
  558   2HD1  LEU  70          2HD1      LEU  70  -1.499   2.525 -15.185
  559   3HD1  LEU  70          3HD1      LEU  70  -0.279   2.737 -13.913
  560   1HD2  LEU  70          1HD2      LEU  70  -1.514   6.023 -16.380
  561   2HD2  LEU  70          2HD2      LEU  70  -2.175   4.387 -16.624
  562   3HD2  LEU  70          3HD2      LEU  70  -2.610   5.310 -15.179
  563    H    LEU  71           H        LEU  71   1.917   6.650 -12.367
  564    HA   LEU  71           HA       LEU  71   0.997   9.373 -11.644
  565   1HB   LEU  71          1HB       LEU  71   1.184   6.875  -9.954
  566   2HB   LEU  71          2HB       LEU  71   0.784   8.485  -9.341
  567    HG   LEU  71           HG       LEU  71  -0.873   7.609 -11.625
  568   1HD1  LEU  71          1HD1      LEU  71  -1.082   6.154  -8.954
  569   2HD1  LEU  71          2HD1      LEU  71  -2.255   6.052 -10.290
  570   3HD1  LEU  71          3HD1      LEU  71  -0.618   5.424 -10.511
  571   1HD2  LEU  71          1HD2      LEU  71  -1.379   9.641 -10.332
  572   2HD2  LEU  71          2HD2      LEU  71  -2.708   8.464 -10.211
  573   3HD2  LEU  71          3HD2      LEU  71  -1.601   8.672  -8.852
  574    HA   PRO  72           HA       PRO  72   5.569   8.886 -11.198
  575   1HB   PRO  72          1HB       PRO  72   6.364  11.247 -12.401
  576   2HB   PRO  72          2HB       PRO  72   6.036   9.759 -13.337
  577   1HG   PRO  72          1HG       PRO  72   4.240  12.170 -12.869
  578   2HG   PRO  72          2HG       PRO  72   4.500  11.257 -14.367
  579   1HD   PRO  72          1HD       PRO  72   2.305  10.787 -12.760
  580   2HD   PRO  72          2HD       PRO  72   3.060   9.480 -13.688
  581    H    ASN  73           H        ASN  73   3.478  11.467 -10.311
  582    HA   ASN  73           HA       ASN  73   5.454  12.761  -8.632
  583   1HB   ASN  73          1HB       ASN  73   2.491  13.236  -9.077
  584   2HB   ASN  73          2HB       ASN  73   3.477  14.173  -7.943
  585   2HD2  ASN  73          2HD2      ASN  73   2.854  16.095  -9.260
  586   1HD2  ASN  73          1HD2      ASN  73   3.776  16.360 -10.722
  587    H    LYS  74           H        LYS  74   3.887   9.923  -8.115
  588    HA   LYS  74           HA       LYS  74   3.362  10.472  -5.273
  589   1HB   LYS  74          1HB       LYS  74   2.244   8.361  -7.147
  590   2HB   LYS  74          2HB       LYS  74   1.900   8.399  -5.416
  591   1HG   LYS  74          1HG       LYS  74   1.081  10.540  -7.428
  592   2HG   LYS  74          2HG       LYS  74   0.020   9.316  -6.712
  593   1HD   LYS  74          1HD       LYS  74   0.489  10.283  -4.464
  594   2HD   LYS  74          2HD       LYS  74   1.448  11.556  -5.237
  595   1HE   LYS  74          1HE       LYS  74  -0.588  12.261  -6.545
  596   2HE   LYS  74          2HE       LYS  74  -1.536  11.052  -5.688
  597   1HZ   LYS  74          1HZ       LYS  74  -0.052  13.216  -4.404
  598   2HZ   LYS  74          2HZ       LYS  74  -1.674  13.151  -4.631
  599   3HZ   LYS  74          3HZ       LYS  74  -0.940  12.081  -3.641
  600    HA   PRO  75           HA       PRO  75   6.740   7.542  -4.665
  601   1HB   PRO  75          1HB       PRO  75   6.496   7.176  -2.002
  602   2HB   PRO  75          2HB       PRO  75   7.278   8.615  -2.710
  603   1HG   PRO  75          1HG       PRO  75   4.422   8.340  -1.654
  604   2HG   PRO  75          2HG       PRO  75   5.554   9.689  -1.409
  605   1HD   PRO  75          1HD       PRO  75   3.571   9.752  -3.300
  606   2HD   PRO  75          2HD       PRO  75   5.136  10.553  -3.605
  607    H    VAL  76           H        VAL  76   6.568   5.594  -5.368
  608    HA   VAL  76           HA       VAL  76   4.435   3.877  -4.305
  609    HB   VAL  76           HB       VAL  76   5.531   4.098  -7.160
  610   1HG1  VAL  76          1HG1      VAL  76   3.289   2.345  -6.048
  611   2HG1  VAL  76          2HG1      VAL  76   3.745   2.478  -7.771
  612   3HG1  VAL  76          3HG1      VAL  76   4.882   1.771  -6.594
  613   1HG2  VAL  76          1HG2      VAL  76   4.063   5.942  -6.703
  614   2HG2  VAL  76          2HG2      VAL  76   3.332   4.824  -7.860
  615   3HG2  VAL  76          3HG2      VAL  76   2.769   4.830  -6.161
  616    H    GLU  77           H        GLU  77   5.120   2.221  -3.334
  617    HA   GLU  77           HA       GLU  77   7.744   1.037  -3.978
  618   1HB   GLU  77          1HB       GLU  77   6.484   1.610  -1.260
  619   2HB   GLU  77          2HB       GLU  77   7.844   0.508  -1.462
  620   1HG   GLU  77          1HG       GLU  77   7.859   3.480  -2.141
  621   2HG   GLU  77          2HG       GLU  77   8.565   2.743  -0.697
  622    H    VAL  78           H        VAL  78   8.013  -1.154  -3.429
  623    HA   VAL  78           HA       VAL  78   5.533  -2.712  -3.631
  624    HB   VAL  78           HB       VAL  78   8.431  -3.393  -4.026
  625   1HG1  VAL  78          1HG1      VAL  78   5.923  -5.090  -4.588
  626   2HG1  VAL  78          2HG1      VAL  78   7.570  -5.550  -5.044
  627   3HG1  VAL  78          3HG1      VAL  78   7.119  -5.436  -3.331
  628   1HG2  VAL  78          1HG2      VAL  78   6.215  -3.031  -6.069
  629   2HG2  VAL  78          2HG2      VAL  78   7.624  -1.976  -5.788
  630   3HG2  VAL  78          3HG2      VAL  78   7.852  -3.629  -6.402
  631    H    ILE  79           H        ILE  79   4.902  -4.148  -2.058
  632    HA   ILE  79           HA       ILE  79   6.029  -4.068   0.605
  633    HB   ILE  79           HB       ILE  79   3.968  -5.917  -0.637
  634   1HG1  ILE  79          1HG1      ILE  79   3.318  -3.573   1.160
  635   2HG1  ILE  79          2HG1      ILE  79   3.603  -3.282  -0.547
  636   1HG2  ILE  79          1HG2      ILE  79   4.573  -5.295   2.274
  637   2HG2  ILE  79          2HG2      ILE  79   3.219  -6.290   1.672
  638   3HG2  ILE  79          3HG2      ILE  79   4.896  -6.813   1.419
  639   1HD1  ILE  79          1HD1      ILE  79   1.502  -5.183   0.603
  640   2HD1  ILE  79          2HD1      ILE  79   1.178  -3.578  -0.062
  641   3HD1  ILE  79          3HD1      ILE  79   1.768  -4.870  -1.124
  642    H    ASP  80           H        ASP  80   7.656  -5.220   1.301
  643    HA   ASP  80           HA       ASP  80   9.096  -7.135  -0.150
  644   1HB   ASP  80          1HB       ASP  80  10.027  -5.838   1.696
  645   2HB   ASP  80          2HB       ASP  80   8.912  -6.617   2.834
  646    H    SER  81           H        SER  81   8.982  -9.154  -0.508
  647    HA   SER  81           HA       SER  81   6.743 -10.601  -0.236
  648   1HB   SER  81          1HB       SER  81   9.577 -11.562  -0.688
  649   2HB   SER  81          2HB       SER  81   8.134 -12.588  -0.892
  650    HG   SER  81           HG       SER  81   8.762 -11.544  -2.894
  651    H    LEU  82           H        LEU  82   9.521 -10.505   2.033
  652    HA   LEU  82           HA       LEU  82   8.813 -12.877   3.489
  653   1HB   LEU  82          1HB       LEU  82  11.002 -11.184   3.154
  654   2HB   LEU  82          2HB       LEU  82  10.524 -10.983   4.852
  655    HG   LEU  82           HG       LEU  82  12.241 -12.683   4.624
  656   1HD1  LEU  82          1HD1      LEU  82   9.549 -13.876   5.407
  657   2HD1  LEU  82          2HD1      LEU  82  11.136 -14.571   5.785
  658   3HD1  LEU  82          3HD1      LEU  82  10.677 -13.000   6.464
  659   1HD2  LEU  82          1HD2      LEU  82  10.327 -14.201   2.823
  660   2HD2  LEU  82          2HD2      LEU  82  11.906 -13.495   2.392
  661   3HD2  LEU  82          3HD2      LEU  82  11.818 -14.839   3.537
  662    H    LEU  83           H        LEU  83   8.489  -9.300   4.051
  663    HA   LEU  83           HA       LEU  83   7.179  -9.417   6.496
  664   1HB   LEU  83          1HB       LEU  83   6.838  -7.500   4.168
  665   2HB   LEU  83          2HB       LEU  83   6.068  -7.262   5.733
  666    HG   LEU  83           HG       LEU  83   9.084  -7.439   5.311
  667   1HD1  LEU  83          1HD1      LEU  83   8.060  -5.371   4.318
  668   2HD1  LEU  83          2HD1      LEU  83   7.254  -5.048   5.857
  669   3HD1  LEU  83          3HD1      LEU  83   9.027  -4.999   5.763
  670   1HD2  LEU  83          1HD2      LEU  83   7.495  -6.687   7.783
  671   2HD2  LEU  83          2HD2      LEU  83   8.425  -8.188   7.516
  672   3HD2  LEU  83          3HD2      LEU  83   9.270  -6.624   7.581
  673    H    TYR  84           H        TYR  84   5.912  -9.667   3.225
  674    HA   TYR  84           HA       TYR  84   3.159  -9.863   3.770
  675   1HB   TYR  84          1HB       TYR  84   4.411  -9.460   1.568
  676   2HB   TYR  84          2HB       TYR  84   4.670 -11.201   1.506
  677    HD1  TYR  84           HD1      TYR  84   2.714 -12.767   1.225
  678    HD2  TYR  84           HD2      TYR  84   2.316  -8.492   0.962
  679    HE1  TYR  84           HE1      TYR  84   0.623 -13.028  -0.069
  680    HE2  TYR  84           HE2      TYR  84   0.202  -8.759  -0.257
  681    HH   TYR  84           HH       TYR  84  -1.258 -10.183  -1.117
  682    H    GLY  85           H        GLY  85   5.693 -12.398   3.479
  683   1HA   GLY  85          1HA       GLY  85   5.831 -14.532   4.137
  684   2HA   GLY  85          2HA       GLY  85   4.114 -14.685   3.728
  685    H    LYS  86           H        LYS  86   5.732 -12.688   6.247
  686    HA   LYS  86           HA       LYS  86   4.857 -14.319   8.431
  687   1HB   LYS  86          1HB       LYS  86   5.910 -11.476   8.243
  688   2HB   LYS  86          2HB       LYS  86   5.644 -12.352   9.777
  689   1HG   LYS  86          1HG       LYS  86   7.307 -14.061   8.976
  690   2HG   LYS  86          2HG       LYS  86   7.658 -12.999   7.597
  691   1HD   LYS  86          1HD       LYS  86   7.917 -12.160  10.501
  692   2HD   LYS  86          2HD       LYS  86   9.259 -12.760   9.502
  693   1HE   LYS  86          1HE       LYS  86   9.098 -10.859   8.023
  694   2HE   LYS  86          2HE       LYS  86   7.608 -10.297   8.830
  695   1HZ   LYS  86          1HZ       LYS  86  10.243 -10.526  10.078
  696   2HZ   LYS  86          2HZ       LYS  86   9.532  -9.132   9.602
  697   3HZ   LYS  86          3HZ       LYS  86   8.878 -10.003  10.812
  698    H    VAL  87           H        VAL  87   3.439 -11.734   6.591
  699    HA   VAL  87           HA       VAL  87   1.888 -10.246   6.767
  700    HB   VAL  87           HB       VAL  87   0.469 -12.074   8.722
  701   1HG1  VAL  87          1HG1      VAL  87  -0.601 -10.049   6.722
  702   2HG1  VAL  87          2HG1      VAL  87  -1.572 -11.139   7.738
  703   3HG1  VAL  87          3HG1      VAL  87  -0.554  -9.884   8.495
  704   1HG2  VAL  87          1HG2      VAL  87   1.111 -13.380   6.719
  705   2HG2  VAL  87          2HG2      VAL  87  -0.647 -13.099   6.779
  706   3HG2  VAL  87          3HG2      VAL  87   0.369 -12.143   5.674
  707    H    ASP  88           H        ASP  88   3.648  -9.083   7.799
  708    HA   ASP  88           HA       ASP  88   3.143  -8.413  10.621
  709   1HB   ASP  88          1HB       ASP  88   5.383  -9.383   9.988
  710   2HB   ASP  88          2HB       ASP  88   5.649  -7.947   8.973
  711    H    GLY  89           H        GLY  89   1.735  -6.919  10.624
  712   1HA   GLY  89          1HA       GLY  89   0.642  -4.938  10.375
  713   2HA   GLY  89          2HA       GLY  89   1.209  -4.982   8.691
  714    H    LEU  90           H        LEU  90   3.330  -4.737  11.577
  715    HA   LEU  90           HA       LEU  90   3.457  -1.879  11.582
  716   1HB   LEU  90          1HB       LEU  90   3.843  -3.250  13.582
  717   2HB   LEU  90          2HB       LEU  90   5.215  -4.028  12.783
  718    HG   LEU  90           HG       LEU  90   6.374  -1.862  12.642
  719   1HD1  LEU  90          1HD1      LEU  90   4.470  -0.315  12.657
  720   2HD1  LEU  90          2HD1      LEU  90   4.097  -0.766  14.341
  721   3HD1  LEU  90          3HD1      LEU  90   5.629   0.060  13.951
  722   1HD2  LEU  90          1HD2      LEU  90   6.850  -3.349  14.517
  723   2HD2  LEU  90          2HD2      LEU  90   6.930  -1.648  15.019
  724   3HD2  LEU  90          3HD2      LEU  90   5.509  -2.637  15.455
  725    H    GLY  91           H        GLY  91   5.579  -4.487  10.316
  726   1HA   GLY  91          1HA       GLY  91   7.187  -4.540   8.746
  727   2HA   GLY  91          2HA       GLY  91   7.744  -3.028   9.463
  728    H    VAL  92           H        VAL  92   4.705  -3.705   7.718
  729    HA   VAL  92           HA       VAL  92   5.526  -2.310   5.335
  730    HB   VAL  92           HB       VAL  92   2.785  -3.271   6.253
  731   1HG1  VAL  92          1HG1      VAL  92   3.843  -2.730   3.444
  732   2HG1  VAL  92          2HG1      VAL  92   2.244  -3.402   3.824
  733   3HG1  VAL  92          3HG1      VAL  92   2.638  -1.744   4.313
  734   1HG2  VAL  92          1HG2      VAL  92   4.829  -4.756   4.565
  735   2HG2  VAL  92          2HG2      VAL  92   4.314  -5.190   6.213
  736   3HG2  VAL  92          3HG2      VAL  92   3.159  -5.290   4.875
  737    H    LEU  93           H        LEU  93   3.452  -1.526   8.151
  738    HA   LEU  93           HA       LEU  93   2.519   0.924   7.247
  739   1HB   LEU  93          1HB       LEU  93   1.832  -0.456   9.289
  740   2HB   LEU  93          2HB       LEU  93   3.292   0.152  10.080
  741    HG   LEU  93           HG       LEU  93   2.404   2.508   9.557
  742   1HD1  LEU  93          1HD1      LEU  93   0.607   1.888   7.995
  743   2HD1  LEU  93          2HD1      LEU  93  -0.208   0.965   9.278
  744   3HD1  LEU  93          3HD1      LEU  93  -0.044   2.726   9.417
  745   1HD2  LEU  93          1HD2      LEU  93   2.530   1.603  11.822
  746   2HD2  LEU  93          2HD2      LEU  93   1.046   2.545  11.601
  747   3HD2  LEU  93          3HD2      LEU  93   0.968   0.770  11.598
  748    H    LYS  94           H        LYS  94   5.542   0.071   8.952
  749    HA   LYS  94           HA       LYS  94   6.550   2.645   9.412
  750   1HB   LYS  94          1HB       LYS  94   7.261   0.526  10.493
  751   2HB   LYS  94          2HB       LYS  94   7.911  -0.010   8.923
  752   1HG   LYS  94          1HG       LYS  94   9.553   1.829   8.979
  753   2HG   LYS  94          2HG       LYS  94   8.875   2.407  10.501
  754   1HD   LYS  94          1HD       LYS  94   9.794  -0.461  10.315
  755   2HD   LYS  94          2HD       LYS  94  11.018   0.804  10.438
  756   1HE   LYS  94          1HE       LYS  94   8.743   0.562  12.460
  757   2HE   LYS  94          2HE       LYS  94  10.277  -0.274  12.649
  758   1HZ   LYS  94          1HZ       LYS  94   9.992   2.612  12.288
  759   2HZ   LYS  94          2HZ       LYS  94  10.297   1.851  13.705
  760   3HZ   LYS  94          3HZ       LYS  94  11.393   1.805  12.498
  761    H    ALA  95           H        ALA  95   6.974   0.367   6.623
  762    HA   ALA  95           HA       ALA  95   8.795   1.988   5.210
  763   1HB   ALA  95          1HB       ALA  95   6.766  -0.144   4.349
  764   2HB   ALA  95          2HB       ALA  95   8.109   0.415   3.322
  765   3HB   ALA  95          3HB       ALA  95   8.439  -0.476   4.833
  766    H    ALA  96           H        ALA  96   5.277   1.746   5.219
  767    HA   ALA  96           HA       ALA  96   4.784   3.503   3.100
  768   1HB   ALA  96          1HB       ALA  96   3.096   1.927   4.069
  769   2HB   ALA  96          2HB       ALA  96   3.138   2.826   5.596
  770   3HB   ALA  96          3HB       ALA  96   2.465   3.592   4.136
  771    H    VAL  97           H        VAL  97   5.077   4.131   6.638
  772    HA   VAL  97           HA       VAL  97   4.364   6.868   6.403
  773    HB   VAL  97           HB       VAL  97   4.374   4.978   8.248
  774   1HG1  VAL  97          1HG1      VAL  97   6.688   4.802   8.667
  775   2HG1  VAL  97          2HG1      VAL  97   6.820   6.529   9.051
  776   3HG1  VAL  97          3HG1      VAL  97   5.869   5.468  10.127
  777   1HG2  VAL  97          1HG2      VAL  97   4.610   7.989   8.772
  778   2HG2  VAL  97          2HG2      VAL  97   3.108   7.108   8.395
  779   3HG2  VAL  97          3HG2      VAL  97   3.938   6.836   9.943
  780    H    ALA  98           H        ALA  98   7.347   5.111   6.100
  781    HA   ALA  98           HA       ALA  98   9.161   7.243   6.472
  782   1HB   ALA  98          1HB       ALA  98   9.317   4.685   4.847
  783   2HB   ALA  98          2HB       ALA  98  10.731   5.693   5.270
  784   3HB   ALA  98          3HB       ALA  98   9.803   4.865   6.555
  785    H    ALA  99           H        ALA  99   7.460   5.864   3.595
  786    HA   ALA  99           HA       ALA  99   8.610   7.629   1.716
  787   1HB   ALA  99          1HB       ALA  99   7.679   5.399   1.153
  788   2HB   ALA  99          2HB       ALA  99   6.793   6.663   0.259
  789   3HB   ALA  99          3HB       ALA  99   6.079   5.926   1.721
  790    H    ILE 100           H        ILE 100   5.683   7.823   3.760
  791    HA   ILE 100           HA       ILE 100   4.630  10.156   2.523
  792    HB   ILE 100           HB       ILE 100   4.409   9.074   5.329
  793   1HG1  ILE 100          1HG1      ILE 100   2.361   8.918   3.084
  794   2HG1  ILE 100          2HG1      ILE 100   3.563   7.654   3.331
  795   1HG2  ILE 100          1HG2      ILE 100   2.706  11.147   3.884
  796   2HG2  ILE 100          2HG2      ILE 100   2.319  10.464   5.485
  797   3HG2  ILE 100          3HG2      ILE 100   3.800  11.438   5.262
  798   1HD1  ILE 100          1HD1      ILE 100   2.633   7.232   5.609
  799   2HD1  ILE 100          2HD1      ILE 100   1.425   8.501   5.326
  800   3HD1  ILE 100          3HD1      ILE 100   1.417   7.028   4.333
  801    H    LYS 101           H        LYS 101   6.859   9.631   5.311
  802    HA   LYS 101           HA       LYS 101   7.348  12.263   5.938
  803   1HB   LYS 101          1HB       LYS 101   9.000   9.787   6.078
  804   2HB   LYS 101          2HB       LYS 101   9.763  11.364   6.442
  805   1HG   LYS 101          1HG       LYS 101   7.737  11.681   8.091
  806   2HG   LYS 101          2HG       LYS 101   7.578   9.909   7.951
  807   1HD   LYS 101          1HD       LYS 101   8.824  10.334   9.837
  808   2HD   LYS 101          2HD       LYS 101   9.954   9.694   8.616
  809   1HE   LYS 101          1HE       LYS 101  10.752  11.995   8.138
  810   2HE   LYS 101          2HE       LYS 101   9.614  12.645   9.341
  811   1HZ   LYS 101          1HZ       LYS 101  10.767  11.394  10.997
  812   2HZ   LYS 101          2HZ       LYS 101  11.813  10.797   9.888
  813   3HZ   LYS 101          3HZ       LYS 101  11.796  12.393  10.222
  814    H    LYS 102           H        LYS 102   8.895  10.319   3.264
  815    HA   LYS 102           HA       LYS 102  10.826  12.157   2.500
  816   1HB   LYS 102          1HB       LYS 102  10.815   9.862   2.032
  817   2HB   LYS 102          2HB       LYS 102   9.382  10.008   0.962
  818   1HG   LYS 102          1HG       LYS 102  10.652  11.598  -0.466
  819   2HG   LYS 102          2HG       LYS 102  12.051  11.430   0.621
  820   1HD   LYS 102          1HD       LYS 102  12.209   9.041   0.078
  821   2HD   LYS 102          2HD       LYS 102  10.758   9.148  -0.932
  822   1HE   LYS 102          1HE       LYS 102  12.751   9.180  -2.371
  823   2HE   LYS 102          2HE       LYS 102  11.981  10.765  -2.440
  824   1HZ   LYS 102          1HZ       LYS 102  13.561  11.523  -0.801
  825   2HZ   LYS 102          2HZ       LYS 102  14.277  10.064  -0.766
  826   3HZ   LYS 102          3HZ       LYS 102  14.314  10.964  -2.135
  827    H    ALA 103           H        ALA 103   7.564  11.421   1.323
  828    HA   ALA 103           HA       ALA 103   7.249  13.315  -0.690
  829   1HB   ALA 103          1HB       ALA 103   5.707  11.446  -0.388
  830   2HB   ALA 103          2HB       ALA 103   5.118  12.153   1.143
  831   3HB   ALA 103          3HB       ALA 103   4.818  12.983  -0.398
  832    H    ALA 104           H        ALA 104   6.562  13.651   2.838
  833    HA   ALA 104           HA       ALA 104   5.598  16.273   2.768
  834   1HB   ALA 104          1HB       ALA 104   7.027  14.666   4.906
  835   2HB   ALA 104          2HB       ALA 104   5.273  14.698   4.612
  836   3HB   ALA 104          3HB       ALA 104   6.104  16.166   5.204
  837    H    ALA 105           H        ALA 105   8.897  15.272   4.110
  838    HA   ALA 105           HA       ALA 105  10.283  16.881   2.397
  839   1HB   ALA 105          1HB       ALA 105   9.359  18.788   3.688
  840   2HB   ALA 105          2HB       ALA 105  11.098  18.627   4.072
  841   3HB   ALA 105          3HB       ALA 105   9.861  17.994   5.198
  842    H    ASN 106           H        ASN 106  11.402  14.933   2.282
  843    HA   ASN 106           HA       ASN 106  13.667  14.873   3.977
  844   1HB   ASN 106          1HB       ASN 106  11.878  12.427   3.727
  845   2HB   ASN 106          2HB       ASN 106  13.588  12.327   4.112
  846   2HD2  ASN 106          2HD2      ASN 106  14.355  13.237   6.044
  847   1HD2  ASN 106          1HD2      ASN 106  13.333  13.583   7.429

  No H/Q in entry =         847
  Start of MODEL    4
    1    H1   MET   1           H1       MET   1  -7.689  17.939  11.838
    2    H2   MET   1           H2       MET   1  -6.706  17.544  13.073
    3    H3   MET   1           H3       MET   1  -6.081  18.123  11.688
    4    HA   MET   1           HA       MET   1  -5.717  15.766  11.783
    5   1HB   MET   1          1HB       MET   1  -8.712  15.832  12.208
    6   2HB   MET   1          2HB       MET   1  -7.933  14.400  11.540
    7   1HG   MET   1          1HG       MET   1  -7.214  15.720  14.178
    8   2HG   MET   1          2HG       MET   1  -8.231  14.278  13.998
    9   1HE   MET   1          1HE       MET   1  -5.696  14.339  15.904
   10   2HE   MET   1          2HE       MET   1  -6.710  12.895  15.657
   11   3HE   MET   1          3HE       MET   1  -4.939  12.772  15.527
   12    H    GLU   2           H        GLU   2  -4.835  15.848   9.728
   13    HA   GLU   2           HA       GLU   2  -6.599  16.400   7.479
   14   1HB   GLU   2          1HB       GLU   2  -4.492  17.670   7.800
   15   2HB   GLU   2          2HB       GLU   2  -3.568  16.167   7.842
   16   1HG   GLU   2          1HG       GLU   2  -4.313  15.703   5.473
   17   2HG   GLU   2          2HG       GLU   2  -5.023  17.335   5.449
   18    H    LYS   3           H        LYS   3  -4.413  13.891   8.834
   19    HA   LYS   3           HA       LYS   3  -4.096  11.835   8.516
   20   1HB   LYS   3          1HB       LYS   3  -6.710  11.858   6.994
   21   2HB   LYS   3          2HB       LYS   3  -5.799  10.373   7.298
   22   1HG   LYS   3          1HG       LYS   3  -5.934  11.177   9.827
   23   2HG   LYS   3          2HG       LYS   3  -7.315  12.128   9.247
   24   1HD   LYS   3          1HD       LYS   3  -8.331  10.090   8.277
   25   2HD   LYS   3          2HD       LYS   3  -6.974   9.126   8.901
   26   1HE   LYS   3          1HE       LYS   3  -7.617   9.832  11.231
   27   2HE   LYS   3          2HE       LYS   3  -9.035  10.651  10.539
   28   1HZ   LYS   3          1HZ       LYS   3  -9.729   8.565   9.635
   29   2HZ   LYS   3          2HZ       LYS   3  -8.431   7.800  10.257
   30   3HZ   LYS   3          3HZ       LYS   3  -9.554   8.437  11.252
   31    H    LYS   4           H        LYS   4  -3.116  10.367   7.244
   32    HA   LYS   4           HA       LYS   4  -2.640  11.196   4.450
   33   1HB   LYS   4          1HB       LYS   4  -0.904  10.178   6.603
   34   2HB   LYS   4          2HB       LYS   4  -0.639   9.390   5.040
   35   1HG   LYS   4          1HG       LYS   4   0.869  11.223   5.230
   36   2HG   LYS   4          2HG       LYS   4  -0.326  11.638   3.994
   37   1HD   LYS   4          1HD       LYS   4  -1.549  13.005   5.698
   38   2HD   LYS   4          2HD       LYS   4  -0.253  12.653   6.855
   39   1HE   LYS   4          1HE       LYS   4   0.177  14.816   5.922
   40   2HE   LYS   4          2HE       LYS   4   1.373  13.712   5.229
   41   1HZ   LYS   4          1HZ       LYS   4  -0.044  13.581   3.271
   42   2HZ   LYS   4          2HZ       LYS   4  -1.094  14.634   3.947
   43   3HZ   LYS   4          3HZ       LYS   4   0.411  15.117   3.572
   44    H    HIS   5           H        HIS   5  -2.612   9.729   2.793
   45    HA   HIS   5           HA       HIS   5  -4.285   7.372   3.275
   46   1HB   HIS   5          1HB       HIS   5  -3.917   9.163   0.855
   47   2HB   HIS   5          2HB       HIS   5  -4.686   7.575   0.734
   48    HD2  HIS   5           HD2      HIS   5  -5.221  11.156   2.116
   49    HE1  HIS   5           HE1      HIS   5  -8.901   9.188   2.313
   50    HE2  HIS   5           HE2      HIS   5  -7.737  11.439   2.544
   51    H    ILE   6           H        ILE   6  -3.413   5.474   3.230
   52    HA   ILE   6           HA       ILE   6  -0.975   4.926   1.652
   53    HB   ILE   6           HB       ILE   6  -1.933   3.715   4.264
   54   1HG1  ILE   6          1HG1      ILE   6   0.609   5.303   3.779
   55   2HG1  ILE   6          2HG1      ILE   6  -0.901   6.042   4.316
   56   1HG2  ILE   6          1HG2      ILE   6  -0.867   2.034   2.837
   57   2HG2  ILE   6          2HG2      ILE   6   0.542   3.084   2.598
   58   3HG2  ILE   6          3HG2      ILE   6   0.178   2.428   4.214
   59   1HD1  ILE   6          1HD1      ILE   6   0.640   3.887   5.797
   60   2HD1  ILE   6          2HD1      ILE   6   0.613   5.624   6.180
   61   3HD1  ILE   6          3HD1      ILE   6  -0.871   4.660   6.353
   62    H    TYR   7           H        TYR   7  -1.760   4.041  -0.177
   63    HA   TYR   7           HA       TYR   7  -3.984   2.115   0.078
   64   1HB   TYR   7          1HB       TYR   7  -3.224   3.814  -2.303
   65   2HB   TYR   7          2HB       TYR   7  -4.455   2.569  -2.313
   66    HD1  TYR   7           HD1      TYR   7  -4.863   5.239  -3.249
   67    HD2  TYR   7           HD2      TYR   7  -5.455   3.646   0.726
   68    HE1  TYR   7           HE1      TYR   7  -6.559   6.948  -2.798
   69    HE2  TYR   7           HE2      TYR   7  -7.182   5.287   1.126
   70    HH   TYR   7           HH       TYR   7  -8.258   7.041   0.291
   71    H    LEU   8           H        LEU   8  -3.779   0.140  -0.469
   72    HA   LEU   8           HA       LEU   8  -1.243  -0.836  -1.635
   73   1HB   LEU   8          1HB       LEU   8  -3.278  -2.047   0.254
   74   2HB   LEU   8          2HB       LEU   8  -2.208  -3.072  -0.713
   75    HG   LEU   8           HG       LEU   8  -0.280  -1.675   0.386
   76   1HD1  LEU   8          1HD1      LEU   8  -2.544  -1.000   2.259
   77   2HD1  LEU   8          2HD1      LEU   8  -0.790  -0.734   2.555
   78   3HD1  LEU   8          3HD1      LEU   8  -1.623   0.144   1.243
   79   1HD2  LEU   8          1HD2      LEU   8  -2.045  -3.496   2.080
   80   2HD2  LEU   8          2HD2      LEU   8  -0.769  -4.035   0.963
   81   3HD2  LEU   8          3HD2      LEU   8  -0.347  -3.093   2.405
   82    H    PHE   9           H        PHE   9  -1.221  -1.936  -3.466
   83    HA   PHE   9           HA       PHE   9  -3.809  -2.498  -4.757
   84   1HB   PHE   9          1HB       PHE   9  -1.388  -1.110  -5.972
   85   2HB   PHE   9          2HB       PHE   9  -2.654  -1.844  -6.946
   86    HD1  PHE   9           HD1      PHE   9  -1.883   0.863  -4.535
   87    HD2  PHE   9           HD2      PHE   9  -4.895  -0.832  -7.086
   88    HE1  PHE   9           HE1      PHE   9  -3.036   3.039  -4.627
   89    HE2  PHE   9           HE2      PHE   9  -6.128   1.286  -7.026
   90    HZ   PHE   9           HZ       PHE   9  -5.122   3.255  -5.961
   91    H    SER  11           H        SER  11  -3.361  -7.914  -7.926
   92    HA   SER  11           HA       SER  11  -5.006  -6.874  -9.808
   93   1HB   SER  11          1HB       SER  11  -4.789  -9.736  -8.773
   94   2HB   SER  11          2HB       SER  11  -5.535  -9.289 -10.310
   95    HG   SER  11           HG       SER  11  -3.447  -9.734 -10.854
   96    H    ALA  12           H        ALA  12  -6.117  -8.668  -6.891
   97    HA   ALA  12           HA       ALA  12  -8.884  -7.988  -7.682
   98   1HB   ALA  12          1HB       ALA  12  -8.329 -10.371  -7.502
   99   2HB   ALA  12          2HB       ALA  12  -7.785 -10.141  -5.828
  100   3HB   ALA  12          3HB       ALA  12  -9.509  -9.907  -6.255
  101    H    GLY  13           H        GLY  13  -6.591  -7.196  -5.201
  102   1HA   GLY  13          1HA       GLY  13  -8.328  -5.382  -3.941
  103   2HA   GLY  13          2HA       GLY  13  -6.692  -5.849  -3.439
  104    H    MET  14           H        MET  14  -7.658  -8.756  -3.212
  105    HA   MET  14           HA       MET  14  -9.221  -8.398  -0.745
  106   1HB   MET  14          1HB       MET  14 -10.263 -10.595  -1.132
  107   2HB   MET  14          2HB       MET  14 -10.650  -9.391  -2.364
  108   1HG   MET  14          1HG       MET  14  -9.100 -10.401  -3.922
  109   2HG   MET  14          2HG       MET  14  -8.532 -11.529  -2.669
  110   1HE   MET  14          1HE       MET  14 -12.251 -10.411  -3.539
  111   2HE   MET  14          2HE       MET  14 -11.485 -10.584  -5.134
  112   3HE   MET  14          3HE       MET  14 -12.748 -11.728  -4.627
  113    H    SER  15           H        SER  15  -6.605 -10.533  -2.153
  114    HA   SER  15           HA       SER  15  -6.128 -11.943   0.189
  115   1HB   SER  15          1HB       SER  15  -4.134 -11.098  -1.951
  116   2HB   SER  15          2HB       SER  15  -3.924 -12.414  -0.788
  117    HG   SER  15           HG       SER  15  -4.720 -13.195  -2.854
  118    H    THR  16           H        THR  16  -5.136  -8.669  -0.759
  119    HA   THR  16           HA       THR  16  -3.209  -8.177   1.260
  120    HB   THR  16           HB       THR  16  -3.854  -5.780   0.603
  121    HG1  THR  16           HG1      THR  16  -5.104  -5.804  -1.460
  122   1HG2  THR  16          1HG2      THR  16  -2.901  -7.691  -1.562
  123   2HG2  THR  16          2HG2      THR  16  -2.701  -5.918  -1.565
  124   3HG2  THR  16          3HG2      THR  16  -1.893  -6.897  -0.325
  125    H    SER  17           H        SER  17  -6.763  -8.276   1.429
  126    HA   SER  17           HA       SER  17  -7.134  -6.062   2.999
  127   1HB   SER  17          1HB       SER  17  -9.362  -6.909   3.420
  128   2HB   SER  17          2HB       SER  17  -8.883  -7.293   1.748
  129    HG   SER  17           HG       SER  17  -9.787  -9.162   2.676
  130    H    LEU  18           H        LEU  18  -6.484  -9.398   4.056
  131    HA   LEU  18           HA       LEU  18  -6.856  -8.933   6.818
  132   1HB   LEU  18          1HB       LEU  18  -6.753 -11.223   6.006
  133   2HB   LEU  18          2HB       LEU  18  -5.131 -10.981   5.343
  134    HG   LEU  18           HG       LEU  18  -4.312 -10.593   7.639
  135   1HD1  LEU  18          1HD1      LEU  18  -7.019 -11.727   8.460
  136   2HD1  LEU  18          2HD1      LEU  18  -5.609 -11.532   9.526
  137   3HD1  LEU  18          3HD1      LEU  18  -6.393 -10.099   8.835
  138   1HD2  LEU  18          1HD2      LEU  18  -5.561 -13.300   6.995
  139   2HD2  LEU  18          2HD2      LEU  18  -3.963 -12.718   6.467
  140   3HD2  LEU  18          3HD2      LEU  18  -4.273 -13.030   8.189
  141    H    LEU  19           H        LEU  19  -3.885  -8.694   4.850
  142    HA   LEU  19           HA       LEU  19  -2.179  -7.893   6.915
  143   1HB   LEU  19          1HB       LEU  19  -1.809  -8.612   4.384
  144   2HB   LEU  19          2HB       LEU  19  -2.020  -6.897   4.052
  145    HG   LEU  19           HG       LEU  19  -0.004  -7.833   6.126
  146   1HD1  LEU  19          1HD1      LEU  19   0.417  -7.638   3.121
  147   2HD1  LEU  19          2HD1      LEU  19   1.682  -7.881   4.357
  148   3HD1  LEU  19          3HD1      LEU  19   0.439  -9.132   4.093
  149   1HD2  LEU  19          1HD2      LEU  19  -0.480  -5.399   5.952
  150   2HD2  LEU  19          2HD2      LEU  19   1.184  -5.805   5.457
  151   3HD2  LEU  19          3HD2      LEU  19  -0.050  -5.449   4.223
  152    H    VAL  20           H        VAL  20  -4.317  -5.965   4.783
  153    HA   VAL  20           HA       VAL  20  -3.636  -3.407   5.672
  154    HB   VAL  20           HB       VAL  20  -6.185  -4.599   4.636
  155   1HG1  VAL  20          1HG1      VAL  20  -5.473  -1.639   4.863
  156   2HG1  VAL  20          2HG1      VAL  20  -6.867  -2.294   3.968
  157   3HG1  VAL  20          3HG1      VAL  20  -6.772  -2.494   5.734
  158   1HG2  VAL  20          1HG2      VAL  20  -3.972  -2.923   3.345
  159   2HG2  VAL  20          2HG2      VAL  20  -4.264  -4.654   3.054
  160   3HG2  VAL  20          3HG2      VAL  20  -5.454  -3.444   2.499
  161    H    SER  21           H        SER  21  -6.226  -5.697   6.810
  162    HA   SER  21           HA       SER  21  -7.261  -4.207   8.742
  163   1HB   SER  21          1HB       SER  21  -8.163  -6.348   8.011
  164   2HB   SER  21          2HB       SER  21  -6.813  -7.221   8.774
  165    HG   SER  21           HG       SER  21  -8.772  -7.180  10.132
  166    H    LYS  22           H        LYS  22  -4.404  -6.321   9.016
  167    HA   LYS  22           HA       LYS  22  -3.936  -6.008  11.794
  168   1HB   LYS  22          1HB       LYS  22  -2.219  -6.811   9.414
  169   2HB   LYS  22          2HB       LYS  22  -1.498  -6.631  11.008
  170   1HG   LYS  22          1HG       LYS  22  -3.009  -8.384  11.931
  171   2HG   LYS  22          2HG       LYS  22  -3.789  -8.521  10.275
  172   1HD   LYS  22          1HD       LYS  22  -2.177  -9.350   9.310
  173   2HD   LYS  22          2HD       LYS  22  -0.906  -8.947  10.581
  174   1HE   LYS  22          1HE       LYS  22  -3.195 -10.936  10.967
  175   2HE   LYS  22          2HE       LYS  22  -1.575 -11.443  10.453
  176   1HZ   LYS  22          1HZ       LYS  22  -2.177  -9.963  12.909
  177   2HZ   LYS  22          2HZ       LYS  22  -1.852 -11.562  12.821
  178   3HZ   LYS  22          3HZ       LYS  22  -0.702 -10.474  12.428
  179    H    MET  23           H        MET  23  -2.622  -4.185   9.037
  180    HA   MET  23           HA       MET  23  -1.120  -2.530  10.837
  181   1HB   MET  23          1HB       MET  23  -0.639  -1.082   8.876
  182   2HB   MET  23          2HB       MET  23  -0.016  -2.729   8.835
  183   1HG   MET  23          1HG       MET  23  -2.004  -3.342   7.390
  184   2HG   MET  23          2HG       MET  23  -2.349  -1.613   7.235
  185   1HE   MET  23          1HE       MET  23   0.528  -0.227   6.834
  186   2HE   MET  23          2HE       MET  23   0.793  -0.441   5.100
  187   3HE   MET  23          3HE       MET  23  -0.812   0.037   5.693
  188    H    ARG  24           H        ARG  24  -4.335  -2.286   9.439
  189    HA   ARG  24           HA       ARG  24  -4.886   0.353  10.287
  190   1HB   ARG  24          1HB       ARG  24  -6.503  -2.117   9.698
  191   2HB   ARG  24          2HB       ARG  24  -7.282  -0.866  10.668
  192   1HG   ARG  24          1HG       ARG  24  -6.717   0.795   8.864
  193   2HG   ARG  24          2HG       ARG  24  -6.190  -0.559   7.854
  194   1HD   ARG  24          1HD       ARG  24  -8.468  -1.585   8.009
  195   2HD   ARG  24          2HD       ARG  24  -8.966  -0.335   9.134
  196    HE   ARG  24           HE       ARG  24  -8.089   0.943   6.793
  197   1HH1  ARG  24          1HH1      ARG  24 -10.682  -1.325   7.604
  198   2HH1  ARG  24          2HH1      ARG  24 -11.709  -0.775   6.326
  199   1HH2  ARG  24          1HH2      ARG  24  -9.452   1.626   5.113
  200   2HH2  ARG  24          2HH2      ARG  24 -11.002   0.929   4.917
  201    H    ALA  25           H        ALA  25  -5.333  -2.795  12.006
  202    HA   ALA  25           HA       ALA  25  -6.272  -1.709  14.331
  203   1HB   ALA  25          1HB       ALA  25  -6.372  -4.106  13.679
  204   2HB   ALA  25          2HB       ALA  25  -4.611  -4.225  13.764
  205   3HB   ALA  25          3HB       ALA  25  -5.552  -3.981  15.260
  206    H    GLN  26           H        GLN  26  -2.907  -2.244  13.318
  207    HA   GLN  26           HA       GLN  26  -1.804  -1.340  15.834
  208   1HB   GLN  26          1HB       GLN  26  -0.619  -1.758  13.063
  209   2HB   GLN  26          2HB       GLN  26   0.341  -1.232  14.445
  210   1HG   GLN  26          1HG       GLN  26  -1.255  -3.819  14.463
  211   2HG   GLN  26          2HG       GLN  26   0.389  -3.740  13.869
  212   2HE2  GLN  26          2HE2      GLN  26   1.473  -4.986  15.471
  213   1HE2  GLN  26          1HE2      GLN  26   1.368  -4.561  17.160
  214    H    ALA  27           H        ALA  27  -2.655   0.329  12.804
  215    HA   ALA  27           HA       ALA  27  -1.488   2.826  13.505
  216   1HB   ALA  27          1HB       ALA  27  -2.347   2.263  11.209
  217   2HB   ALA  27          2HB       ALA  27  -3.979   2.130  11.888
  218   3HB   ALA  27          3HB       ALA  27  -3.151   3.709  11.865
  219    H    GLU  28           H        GLU  28  -4.621   1.274  14.313
  220    HA   GLU  28           HA       GLU  28  -5.743   3.467  15.661
  221   1HB   GLU  28          1HB       GLU  28  -6.090   0.449  15.739
  222   2HB   GLU  28          2HB       GLU  28  -7.111   1.541  16.708
  223   1HG   GLU  28          1HG       GLU  28  -8.057   2.531  14.751
  224   2HG   GLU  28          2HG       GLU  28  -6.836   1.794  13.686
  225    H    LYS  29           H        LYS  29  -3.809   0.654  16.788
  226    HA   LYS  29           HA       LYS  29  -3.892   1.218  19.526
  227   1HB   LYS  29          1HB       LYS  29  -3.189  -0.923  18.510
  228   2HB   LYS  29          2HB       LYS  29  -1.764  -0.155  17.843
  229   1HG   LYS  29          1HG       LYS  29  -0.994   0.405  20.173
  230   2HG   LYS  29          2HG       LYS  29  -2.428  -0.406  20.817
  231   1HD   LYS  29          1HD       LYS  29  -1.693  -2.537  19.988
  232   2HD   LYS  29          2HD       LYS  29  -0.339  -1.789  19.107
  233   1HE   LYS  29          1HE       LYS  29   0.491  -2.823  21.154
  234   2HE   LYS  29          2HE       LYS  29   0.637  -1.068  21.305
  235   1HZ   LYS  29          1HZ       LYS  29  -1.510  -2.700  22.434
  236   2HZ   LYS  29          2HZ       LYS  29  -0.267  -2.035  23.261
  237   3HZ   LYS  29          3HZ       LYS  29  -1.386  -1.077  22.564
  238    H    TYR  30           H        TYR  30  -1.437   2.136  17.067
  239    HA   TYR  30           HA       TYR  30   0.077   3.629  19.052
  240   1HB   TYR  30          1HB       TYR  30   0.524   2.929  16.140
  241   2HB   TYR  30          2HB       TYR  30   1.600   3.999  17.031
  242    HD1  TYR  30           HD1      TYR  30   2.403   2.920  19.430
  243    HD2  TYR  30           HD2      TYR  30   1.010   0.696  16.012
  244    HE1  TYR  30           HE1      TYR  30   3.335   0.877  20.384
  245    HE2  TYR  30           HE2      TYR  30   1.914  -1.347  16.957
  246    HH   TYR  30           HH       TYR  30   2.971  -2.265  18.651
  247    H    GLU  31           H        GLU  31  -2.673   4.460  17.711
  248    HA   GLU  31           HA       GLU  31  -3.766   6.282  17.246
  249   1HB   GLU  31          1HB       GLU  31  -1.621   7.474  19.022
  250   2HB   GLU  31          2HB       GLU  31  -3.173   8.245  18.607
  251   1HG   GLU  31          1HG       GLU  31  -4.417   6.494  19.717
  252   2HG   GLU  31          2HG       GLU  31  -2.940   5.565  20.010
  253    H    VAL  32           H        VAL  32  -2.453   5.672  15.131
  254    HA   VAL  32           HA       VAL  32  -1.033   8.015  14.041
  255    HB   VAL  32           HB       VAL  32  -1.379   5.230  12.911
  256   1HG1  VAL  32          1HG1      VAL  32   0.561   7.479  12.191
  257   2HG1  VAL  32          2HG1      VAL  32   0.566   5.852  11.479
  258   3HG1  VAL  32          3HG1      VAL  32  -0.817   6.937  11.204
  259   1HG2  VAL  32          1HG2      VAL  32   1.010   6.347  14.421
  260   2HG2  VAL  32          2HG2      VAL  32  -0.094   5.056  14.962
  261   3HG2  VAL  32          3HG2      VAL  32   0.952   4.793  13.549
  262    HA   PRO  33           HA       PRO  33  -5.002   8.596  12.089
  263   1HB   PRO  33          1HB       PRO  33  -4.692  11.229  11.314
  264   2HB   PRO  33          2HB       PRO  33  -5.093  10.771  12.984
  265   1HG   PRO  33          1HG       PRO  33  -2.362  11.437  11.793
  266   2HG   PRO  33          2HG       PRO  33  -3.056  11.970  13.350
  267   1HD   PRO  33          1HD       PRO  33  -1.297   9.881  13.158
  268   2HD   PRO  33          2HD       PRO  33  -2.577   9.923  14.396
  269    H    VAL  34           H        VAL  34  -4.470   7.062  10.559
  270    HA   VAL  34           HA       VAL  34  -4.013   8.132   7.847
  271    HB   VAL  34           HB       VAL  34  -2.783   6.097   7.300
  272   1HG1  VAL  34          1HG1      VAL  34  -1.479   7.931   9.330
  273   2HG1  VAL  34          2HG1      VAL  34  -0.616   6.835   8.225
  274   3HG1  VAL  34          3HG1      VAL  34  -1.589   8.170   7.569
  275   1HG2  VAL  34          1HG2      VAL  34  -2.547   5.730  10.312
  276   2HG2  VAL  34          2HG2      VAL  34  -3.354   4.623   9.178
  277   3HG2  VAL  34          3HG2      VAL  34  -1.598   4.846   9.092
  278    H    ILE  35           H        ILE  35  -4.836   7.039   6.185
  279    HA   ILE  35           HA       ILE  35  -6.984   5.091   6.765
  280    HB   ILE  35           HB       ILE  35  -6.758   7.193   4.589
  281   1HG1  ILE  35          1HG1      ILE  35  -8.901   6.776   6.682
  282   2HG1  ILE  35          2HG1      ILE  35  -7.501   7.831   6.935
  283   1HG2  ILE  35          1HG2      ILE  35  -7.706   5.119   3.649
  284   2HG2  ILE  35          2HG2      ILE  35  -8.893   5.052   4.971
  285   3HG2  ILE  35          3HG2      ILE  35  -8.954   6.379   3.788
  286   1HD1  ILE  35          1HD1      ILE  35  -8.234   9.256   5.045
  287   2HD1  ILE  35          2HD1      ILE  35  -9.641   8.192   4.809
  288   3HD1  ILE  35          3HD1      ILE  35  -9.479   9.124   6.308
  289    H    ILE  36           H        ILE  36  -6.165   3.184   6.493
  290    HA   ILE  36           HA       ILE  36  -4.412   2.664   4.171
  291    HB   ILE  36           HB       ILE  36  -4.880   0.932   6.630
  292   1HG1  ILE  36          1HG1      ILE  36  -2.378   2.571   6.115
  293   2HG1  ILE  36          2HG1      ILE  36  -3.768   3.228   6.987
  294   1HG2  ILE  36          1HG2      ILE  36  -4.160  -0.270   4.613
  295   2HG2  ILE  36          2HG2      ILE  36  -2.776   0.819   4.429
  296   3HG2  ILE  36          3HG2      ILE  36  -2.886  -0.262   5.850
  297   1HD1  ILE  36          1HD1      ILE  36  -3.587   1.435   8.667
  298   2HD1  ILE  36          2HD1      ILE  36  -2.181   0.760   7.806
  299   3HD1  ILE  36          3HD1      ILE  36  -2.088   2.377   8.536
  300    H    GLU  37           H        GLU  37  -5.261   1.653   2.483
  301    HA   GLU  37           HA       GLU  37  -7.645  -0.040   2.729
  302   1HB   GLU  37          1HB       GLU  37  -7.869   2.687   2.398
  303   2HB   GLU  37          2HB       GLU  37  -7.885   2.101   0.717
  304   1HG   GLU  37          1HG       GLU  37  -9.798   0.673   1.144
  305   2HG   GLU  37          2HG       GLU  37  -9.744   1.032   2.883
  306    H    ALA  38           H        ALA  38  -7.951  -1.412   1.127
  307    HA   ALA  38           HA       ALA  38  -5.794  -1.592  -0.884
  308   1HB   ALA  38          1HB       ALA  38  -7.558  -3.781   0.306
  309   2HB   ALA  38          2HB       ALA  38  -6.295  -4.024  -0.923
  310   3HB   ALA  38          3HB       ALA  38  -5.849  -3.475   0.703
  311    H    PHE  39           H        PHE  39  -6.178  -1.843  -2.982
  312    HA   PHE  39           HA       PHE  39  -8.938  -1.948  -3.956
  313   1HB   PHE  39          1HB       PHE  39  -6.818   0.096  -4.703
  314   2HB   PHE  39          2HB       PHE  39  -8.325  -0.124  -5.592
  315    HD1  PHE  39           HD1      PHE  39 -10.520   0.397  -4.521
  316    HD2  PHE  39           HD2      PHE  39  -6.786   1.363  -2.609
  317    HE1  PHE  39           HE1      PHE  39 -11.662   2.040  -3.090
  318    HE2  PHE  39           HE2      PHE  39  -7.927   3.052  -1.249
  319    HZ   PHE  39           HZ       PHE  39 -10.360   3.343  -1.444
  320    HA   PRO  40           HA       PRO  40  -6.991  -4.405  -7.215
  321   1HB   PRO  40          1HB       PRO  40  -8.824  -3.892  -9.270
  322   2HB   PRO  40          2HB       PRO  40  -8.974  -5.210  -8.073
  323   1HG   PRO  40          1HG       PRO  40 -10.289  -2.520  -8.140
  324   2HG   PRO  40          2HG       PRO  40 -10.909  -4.105  -7.562
  325   1HD   PRO  40          1HD       PRO  40 -10.083  -2.197  -5.785
  326   2HD   PRO  40          2HD       PRO  40  -9.846  -3.930  -5.470
  327    H    GLU  41           H        GLU  41  -5.939  -4.188  -9.234
  328    HA   GLU  41           HA       GLU  41  -4.419  -1.826  -9.301
  329   1HB   GLU  41          1HB       GLU  41  -3.064  -2.961 -10.824
  330   2HB   GLU  41          2HB       GLU  41  -3.767  -4.295  -9.907
  331   1HG   GLU  41          1HG       GLU  41  -4.816  -3.383 -12.562
  332   2HG   GLU  41          2HG       GLU  41  -3.517  -4.607 -12.322
  333    H    THR  42           H        THR  42  -7.255  -2.706 -11.117
  334    HA   THR  42           HA       THR  42  -7.107  -1.001 -13.292
  335    HB   THR  42           HB       THR  42  -9.620  -0.987 -13.098
  336    HG1  THR  42           HG1      THR  42 -10.463  -2.445 -11.427
  337   1HG2  THR  42          1HG2      THR  42  -8.464  -2.755 -14.342
  338   2HG2  THR  42          2HG2      THR  42  -8.268  -3.704 -12.847
  339   3HG2  THR  42          3HG2      THR  42  -9.892  -3.415 -13.506
  340    H    LEU  43           H        LEU  43  -7.728  -0.215  -9.965
  341    HA   LEU  43           HA       LEU  43  -8.543   2.528 -10.644
  342   1HB   LEU  43          1HB       LEU  43  -8.482   0.936  -8.067
  343   2HB   LEU  43          2HB       LEU  43  -9.044   2.619  -8.152
  344    HG   LEU  43           HG       LEU  43 -10.306   0.348  -9.740
  345   1HD1  LEU  43          1HD1      LEU  43 -11.196   1.585  -7.112
  346   2HD1  LEU  43          2HD1      LEU  43 -12.111   0.417  -8.097
  347   3HD1  LEU  43          3HD1      LEU  43 -10.578  -0.074  -7.346
  348   1HD2  LEU  43          1HD2      LEU  43 -10.693   2.633 -10.664
  349   2HD2  LEU  43          2HD2      LEU  43 -12.178   1.921 -10.000
  350   3HD2  LEU  43          3HD2      LEU  43 -11.308   3.158  -9.078
  351    H    ALA  44           H        ALA  44  -5.702   1.311 -10.677
  352    HA   ALA  44           HA       ALA  44  -4.222   2.554  -8.691
  353   1HB   ALA  44          1HB       ALA  44  -3.386   1.831 -11.554
  354   2HB   ALA  44          2HB       ALA  44  -2.253   2.124 -10.212
  355   3HB   ALA  44          3HB       ALA  44  -3.342   0.715 -10.181
  356    H    GLY  45           H        GLY  45  -4.937   3.871 -11.976
  357   1HA   GLY  45          1HA       GLY  45  -4.781   5.960 -12.782
  358   2HA   GLY  45          2HA       GLY  45  -3.470   6.273 -11.602
  359    H    GLU  46           H        GLU  46  -6.919   5.425 -11.244
  360    HA   GLU  46           HA       GLU  46  -7.875   7.987 -10.828
  361   1HB   GLU  46          1HB       GLU  46  -9.012   5.837 -11.577
  362   2HB   GLU  46          2HB       GLU  46  -9.076   5.360  -9.877
  363   1HG   GLU  46          1HG       GLU  46 -10.559   7.154  -9.306
  364   2HG   GLU  46          2HG       GLU  46 -10.295   7.968 -10.866
  365    H    LYS  47           H        LYS  47  -7.480   5.370  -8.369
  366    HA   LYS  47           HA       LYS  47  -7.874   7.258  -6.223
  367   1HB   LYS  47          1HB       LYS  47  -7.243   4.292  -6.347
  368   2HB   LYS  47          2HB       LYS  47  -7.172   5.177  -4.825
  369   1HG   LYS  47          1HG       LYS  47  -9.660   4.933  -6.588
  370   2HG   LYS  47          2HG       LYS  47  -9.376   4.036  -5.108
  371   1HD   LYS  47          1HD       LYS  47  -9.238   6.199  -3.838
  372   2HD   LYS  47          2HD       LYS  47  -9.658   7.061  -5.318
  373   1HE   LYS  47          1HE       LYS  47 -11.771   5.686  -5.465
  374   2HE   LYS  47          2HE       LYS  47 -11.390   5.034  -3.854
  375   1HZ   LYS  47          1HZ       LYS  47 -11.280   7.261  -3.042
  376   2HZ   LYS  47          2HZ       LYS  47 -11.640   7.869  -4.514
  377   3HZ   LYS  47          3HZ       LYS  47 -12.750   6.979  -3.705
  378    H    GLY  48           H        GLY  48  -5.061   5.990  -7.850
  379   1HA   GLY  48          1HA       GLY  48  -2.887   6.385  -7.632
  380   2HA   GLY  48          2HA       GLY  48  -3.134   6.342  -5.867
  381    H    GLN  49           H        GLN  49  -4.674   8.712  -8.030
  382    HA   GLN  49           HA       GLN  49  -2.945  10.857  -7.630
  383   1HB   GLN  49          1HB       GLN  49  -5.883  10.594  -8.318
  384   2HB   GLN  49          2HB       GLN  49  -5.115  12.188  -8.173
  385   1HG   GLN  49          1HG       GLN  49  -3.481  11.591  -9.899
  386   2HG   GLN  49          2HG       GLN  49  -4.118   9.935  -9.960
  387   2HE2  GLN  49          2HE2      GLN  49  -5.843   9.515 -11.358
  388   1HE2  GLN  49          1HE2      GLN  49  -6.721  10.794 -12.178
  389    H    ASN  50           H        ASN  50  -5.450   9.552  -5.524
  390    HA   ASN  50           HA       ASN  50  -5.003  11.769  -3.632
  391   1HB   ASN  50          1HB       ASN  50  -7.377   9.924  -4.046
  392   2HB   ASN  50          2HB       ASN  50  -7.174  10.956  -2.615
  393   2HD2  ASN  50          2HD2      ASN  50  -8.286  10.906  -5.958
  394   1HD2  ASN  50          1HD2      ASN  50  -8.487  12.640  -6.045
  395    H    ALA  51           H        ALA  51  -3.352   9.318  -4.162
  396    HA   ALA  51           HA       ALA  51  -3.300   8.294  -1.390
  397   1HB   ALA  51          1HB       ALA  51  -3.332   6.582  -3.174
  398   2HB   ALA  51          2HB       ALA  51  -1.875   7.313  -3.903
  399   3HB   ALA  51          3HB       ALA  51  -1.776   6.589  -2.291
  400    H    ASP  52           H        ASP  52  -1.547   8.729  -0.094
  401    HA   ASP  52           HA       ASP  52   0.473  10.599  -1.010
  402   1HB   ASP  52          1HB       ASP  52  -0.044   9.259   1.666
  403   2HB   ASP  52          2HB       ASP  52   1.419  10.197   1.319
  404    H    VAL  53           H        VAL  53   0.353   7.111   0.054
  405    HA   VAL  53           HA       VAL  53   2.623   6.731  -1.738
  406    HB   VAL  53           HB       VAL  53   3.462   6.777   0.569
  407   1HG1  VAL  53          1HG1      VAL  53   1.655   5.960   1.760
  408   2HG1  VAL  53          2HG1      VAL  53   1.807   4.324   1.038
  409   3HG1  VAL  53          3HG1      VAL  53   3.130   4.975   2.070
  410   1HG2  VAL  53          1HG2      VAL  53   3.629   4.101  -0.901
  411   2HG2  VAL  53          2HG2      VAL  53   4.648   5.486  -1.222
  412   3HG2  VAL  53          3HG2      VAL  53   4.763   4.659   0.363
  413    H    VAL  54           H        VAL  54   2.505   4.980  -2.988
  414    HA   VAL  54           HA       VAL  54   0.166   3.179  -2.817
  415    HB   VAL  54           HB       VAL  54   1.926   4.117  -5.088
  416   1HG1  VAL  54          1HG1      VAL  54  -0.427   2.180  -5.216
  417   2HG1  VAL  54          2HG1      VAL  54   0.409   2.870  -6.626
  418   3HG1  VAL  54          3HG1      VAL  54   1.278   1.777  -5.523
  419   1HG2  VAL  54          1HG2      VAL  54   0.203   5.760  -4.406
  420   2HG2  VAL  54          2HG2      VAL  54  -0.201   5.069  -5.999
  421   3HG2  VAL  54          3HG2      VAL  54  -1.052   4.520  -4.532
  422    H    LEU  55           H        LEU  55   0.588   1.240  -2.148
  423    HA   LEU  55           HA       LEU  55   3.297   0.154  -2.518
  424   1HB   LEU  55          1HB       LEU  55   1.269  -0.228  -0.289
  425   2HB   LEU  55          2HB       LEU  55   2.650  -1.317  -0.491
  426    HG   LEU  55           HG       LEU  55   2.969   1.707  -0.223
  427   1HD1  LEU  55          1HD1      LEU  55   1.829   0.680   1.804
  428   2HD1  LEU  55          2HD1      LEU  55   3.146  -0.506   1.906
  429   3HD1  LEU  55          3HD1      LEU  55   3.489   1.215   2.171
  430   1HD2  LEU  55          1HD2      LEU  55   4.977  -0.505   0.135
  431   2HD2  LEU  55          2HD2      LEU  55   4.839   0.682  -1.211
  432   3HD2  LEU  55          3HD2      LEU  55   5.173   1.251   0.442
  433    H    LEU  56           H        LEU  56   3.535  -1.334  -3.858
  434    HA   LEU  56           HA       LEU  56   1.275  -2.805  -4.969
  435   1HB   LEU  56          1HB       LEU  56   4.245  -2.867  -5.676
  436   2HB   LEU  56          2HB       LEU  56   2.949  -3.553  -6.650
  437    HG   LEU  56           HG       LEU  56   3.030  -0.588  -6.012
  438   1HD1  LEU  56          1HD1      LEU  56   4.290  -2.021  -8.397
  439   2HD1  LEU  56          2HD1      LEU  56   4.128  -0.263  -8.199
  440   3HD1  LEU  56          3HD1      LEU  56   5.172  -1.177  -7.101
  441   1HD2  LEU  56          1HD2      LEU  56   0.898  -1.518  -6.919
  442   2HD2  LEU  56          2HD2      LEU  56   1.697  -0.415  -8.066
  443   3HD2  LEU  56          3HD2      LEU  56   1.802  -2.172  -8.306
  444    H    GLY  57           H        GLY  57   0.852  -4.879  -4.759
  445   1HA   GLY  57          1HA       GLY  57   1.049  -7.127  -4.399
  446   2HA   GLY  57          2HA       GLY  57   2.151  -6.722  -3.068
  447    HA   PRO  58           HA       PRO  58   5.762  -7.642  -5.353
  448   1HB   PRO  58          1HB       PRO  58   6.197 -10.322  -4.665
  449   2HB   PRO  58          2HB       PRO  58   6.683  -8.908  -3.687
  450   1HG   PRO  58          1HG       PRO  58   4.225 -10.653  -3.433
  451   2HG   PRO  58          2HG       PRO  58   5.273  -9.973  -2.159
  452   1HD   PRO  58          1HD       PRO  58   2.892  -8.797  -2.772
  453   2HD   PRO  58          2HD       PRO  58   4.316  -7.798  -2.353
  454    H    GLN  59           H        GLN  59   2.975  -9.791  -5.741
  455    HA   GLN  59           HA       GLN  59   3.726 -11.066  -8.103
  456   1HB   GLN  59          1HB       GLN  59   1.252 -11.370  -8.435
  457   2HB   GLN  59          2HB       GLN  59   1.874 -11.940  -6.899
  458   1HG   GLN  59          1HG       GLN  59   0.783  -9.155  -6.918
  459   2HG   GLN  59          2HG       GLN  59  -0.382 -10.472  -7.108
  460   2HE2  GLN  59          2HE2      GLN  59  -1.379 -10.307  -5.102
  461   1HE2  GLN  59          1HE2      GLN  59  -0.529 -10.618  -3.619
  462    H    ILE  60           H        ILE  60   2.553  -7.759  -7.696
  463    HA   ILE  60           HA       ILE  60   2.491  -7.572 -10.630
  464    HB   ILE  60           HB       ILE  60   1.040  -5.642 -10.436
  465   1HG1  ILE  60          1HG1      ILE  60   0.337  -6.372  -7.603
  466   2HG1  ILE  60          2HG1      ILE  60   1.679  -5.259  -7.922
  467   1HG2  ILE  60          1HG2      ILE  60  -0.068  -8.214  -9.245
  468   2HG2  ILE  60          2HG2      ILE  60  -1.046  -6.909  -9.937
  469   3HG2  ILE  60          3HG2      ILE  60   0.089  -7.816 -10.964
  470   1HD1  ILE  60          1HD1      ILE  60  -1.171  -4.866  -8.908
  471   2HD1  ILE  60          2HD1      ILE  60  -0.400  -4.011  -7.547
  472   3HD1  ILE  60          3HD1      ILE  60   0.199  -3.777  -9.205
  473    H    ALA  61           H        ALA  61   4.718  -7.399  -8.709
  474    HA   ALA  61           HA       ALA  61   5.622  -4.728  -8.498
  475   1HB   ALA  61          1HB       ALA  61   7.825  -5.815  -8.056
  476   2HB   ALA  61          2HB       ALA  61   6.517  -6.646  -7.176
  477   3HB   ALA  61          3HB       ALA  61   7.174  -7.357  -8.671
  478    H    TYR  62           H        TYR  62   5.873  -7.037 -11.152
  479    HA   TYR  62           HA       TYR  62   7.790  -5.629 -12.672
  480   1HB   TYR  62          1HB       TYR  62   7.128  -6.995 -14.486
  481   2HB   TYR  62          2HB       TYR  62   7.056  -7.982 -13.027
  482    HD1  TYR  62           HD1      TYR  62   4.778  -8.564 -12.008
  483    HD2  TYR  62           HD2      TYR  62   5.254  -6.704 -15.868
  484    HE1  TYR  62           HE1      TYR  62   2.407  -9.002 -12.528
  485    HE2  TYR  62           HE2      TYR  62   2.938  -7.321 -16.441
  486    HH   TYR  62           HH       TYR  62   1.029  -8.153 -15.701
  487    H    MET  63           H        MET  63   4.350  -4.890 -12.124
  488    HA   MET  63           HA       MET  63   4.324  -3.026 -14.312
  489   1HB   MET  63          1HB       MET  63   2.435  -4.002 -12.217
  490   2HB   MET  63          2HB       MET  63   2.037  -2.506 -13.120
  491   1HG   MET  63          1HG       MET  63   2.581  -4.004 -15.216
  492   2HG   MET  63          2HG       MET  63   2.318  -5.347 -14.098
  493   1HE   MET  63          1HE       MET  63  -0.072  -4.272 -12.239
  494   2HE   MET  63          2HE       MET  63  -1.501  -4.838 -13.136
  495   3HE   MET  63          3HE       MET  63  -0.077  -5.897 -12.979
  496    H    LEU  64           H        LEU  64   6.005  -2.702 -11.478
  497    HA   LEU  64           HA       LEU  64   5.287  -0.213 -10.572
  498   1HB   LEU  64          1HB       LEU  64   6.932  -1.596  -9.465
  499   2HB   LEU  64          2HB       LEU  64   8.002  -1.564 -10.840
  500    HG   LEU  64           HG       LEU  64   7.943   0.999 -10.610
  501   1HD1  LEU  64          1HD1      LEU  64   6.167   1.154  -8.892
  502   2HD1  LEU  64          2HD1      LEU  64   7.181   0.223  -7.752
  503   3HD1  LEU  64          3HD1      LEU  64   7.686   1.837  -8.268
  504   1HD2  LEU  64          1HD2      LEU  64   9.484  -0.693  -8.623
  505   2HD2  LEU  64          2HD2      LEU  64   9.951  -0.235 -10.293
  506   3HD2  LEU  64          3HD2      LEU  64   9.820   1.010  -9.034
  507    HA   PRO  65           HA       PRO  65   7.822   2.008 -13.926
  508   1HB   PRO  65          1HB       PRO  65   7.863   0.779 -16.432
  509   2HB   PRO  65          2HB       PRO  65   9.245   0.819 -15.289
  510   1HG   PRO  65          1HG       PRO  65   7.160  -1.337 -15.766
  511   2HG   PRO  65          2HG       PRO  65   8.916  -1.533 -15.513
  512   1HD   PRO  65          1HD       PRO  65   7.144  -1.929 -13.441
  513   2HD   PRO  65          2HD       PRO  65   8.706  -1.136 -13.118
  514    H    GLU  66           H        GLU  66   5.026  -0.040 -14.703
  515    HA   GLU  66           HA       GLU  66   3.932   1.852 -16.562
  516   1HB   GLU  66          1HB       GLU  66   2.947  -0.684 -15.220
  517   2HB   GLU  66          2HB       GLU  66   1.854   0.301 -16.199
  518   1HG   GLU  66          1HG       GLU  66   4.476  -0.802 -17.275
  519   2HG   GLU  66          2HG       GLU  66   2.930  -1.646 -17.407
  520    H    ILE  67           H        ILE  67   3.237   0.962 -13.197
  521    HA   ILE  67           HA       ILE  67   1.095   2.865 -12.872
  522    HB   ILE  67           HB       ILE  67   2.634   1.023 -11.089
  523   1HG1  ILE  67          1HG1      ILE  67  -0.255   1.153 -12.049
  524   2HG1  ILE  67          2HG1      ILE  67   1.017   0.233 -12.831
  525   1HG2  ILE  67          1HG2      ILE  67   0.337   2.851 -10.302
  526   2HG2  ILE  67          2HG2      ILE  67   0.975   1.526  -9.281
  527   3HG2  ILE  67          3HG2      ILE  67   2.006   2.916  -9.687
  528   1HD1  ILE  67          1HD1      ILE  67   1.190  -1.237 -10.820
  529   2HD1  ILE  67          2HD1      ILE  67  -0.091  -0.269 -10.039
  530   3HD1  ILE  67          3HD1      ILE  67  -0.458  -1.216 -11.486
  531    H    GLN  68           H        GLN  68   4.608   2.908 -12.155
  532    HA   GLN  68           HA       GLN  68   4.570   5.433 -10.938
  533   1HB   GLN  68          1HB       GLN  68   6.375   3.657 -10.914
  534   2HB   GLN  68          2HB       GLN  68   6.769   4.149 -12.583
  535   1HG   GLN  68          1HG       GLN  68   7.769   6.094 -11.926
  536   2HG   GLN  68          2HG       GLN  68   6.627   6.335 -10.574
  537   2HE2  GLN  68          2HE2      GLN  68   7.547   6.252  -8.662
  538   1HE2  GLN  68          1HE2      GLN  68   8.830   5.140  -8.197
  539    H    ARG  69           H        ARG  69   4.781   4.418 -14.419
  540    HA   ARG  69           HA       ARG  69   5.215   6.882 -15.563
  541   1HB   ARG  69          1HB       ARG  69   5.134   4.560 -16.515
  542   2HB   ARG  69          2HB       ARG  69   3.371   4.725 -16.609
  543   1HG   ARG  69          1HG       ARG  69   4.069   7.038 -17.841
  544   2HG   ARG  69          2HG       ARG  69   5.495   6.075 -18.258
  545   1HD   ARG  69          1HD       ARG  69   4.027   5.702 -20.037
  546   2HD   ARG  69          2HD       ARG  69   3.827   4.254 -19.030
  547    HE   ARG  69           HE       ARG  69   1.987   6.585 -19.006
  548   1HH1  ARG  69          1HH1      ARG  69   2.418   3.057 -18.542
  549   2HH1  ARG  69          2HH1      ARG  69   0.759   2.777 -18.279
  550   1HH2  ARG  69          1HH2      ARG  69  -0.225   6.135 -18.762
  551   2HH2  ARG  69          2HH2      ARG  69  -0.744   4.528 -18.402
  552    H    LEU  70           H        LEU  70   2.160   5.266 -14.533
  553    HA   LEU  70           HA       LEU  70   0.284   7.226 -15.322
  554   1HB   LEU  70          1HB       LEU  70   0.452   4.981 -13.348
  555   2HB   LEU  70          2HB       LEU  70  -1.005   6.072 -13.358
  556    HG   LEU  70           HG       LEU  70   0.159   4.585 -15.664
  557   1HD1  LEU  70          1HD1      LEU  70  -2.064   3.664 -13.772
  558   2HD1  LEU  70          2HD1      LEU  70  -1.685   2.853 -15.301
  559   3HD1  LEU  70          3HD1      LEU  70  -0.483   2.881 -14.002
  560   1HD2  LEU  70          1HD2      LEU  70  -1.539   6.411 -16.221
  561   2HD2  LEU  70          2HD2      LEU  70  -2.253   4.821 -16.586
  562   3HD2  LEU  70          3HD2      LEU  70  -2.679   5.655 -15.087
  563    H    LEU  71           H        LEU  71   2.079   6.671 -12.286
  564    HA   LEU  71           HA       LEU  71   1.167   9.284 -11.223
  565   1HB   LEU  71          1HB       LEU  71   1.849   6.768  -9.693
  566   2HB   LEU  71          2HB       LEU  71   1.154   8.252  -9.029
  567    HG   LEU  71           HG       LEU  71  -0.302   6.636 -11.128
  568   1HD1  LEU  71          1HD1      LEU  71   0.216   5.088  -9.285
  569   2HD1  LEU  71          2HD1      LEU  71  -0.435   6.249  -8.108
  570   3HD1  LEU  71          3HD1      LEU  71  -1.503   5.483  -9.319
  571   1HD2  LEU  71          1HD2      LEU  71  -1.149   8.893 -10.720
  572   2HD2  LEU  71          2HD2      LEU  71  -2.302   7.661 -10.179
  573   3HD2  LEU  71          3HD2      LEU  71  -1.337   8.546  -8.985
  574    HA   PRO  72           HA       PRO  72   5.714   9.130 -11.176
  575   1HB   PRO  72          1HB       PRO  72   6.322  11.429 -12.583
  576   2HB   PRO  72          2HB       PRO  72   5.951   9.887 -13.406
  577   1HG   PRO  72          1HG       PRO  72   4.132  12.275 -12.895
  578   2HG   PRO  72          2HG       PRO  72   4.284  11.288 -14.360
  579   1HD   PRO  72          1HD       PRO  72   2.262  10.837 -12.512
  580   2HD   PRO  72          2HD       PRO  72   2.956   9.530 -13.481
  581    H    ASN  73           H        ASN  73   3.563  11.671 -10.212
  582    HA   ASN  73           HA       ASN  73   5.696  12.836  -8.555
  583   1HB   ASN  73          1HB       ASN  73   3.222  13.898  -9.755
  584   2HB   ASN  73          2HB       ASN  73   3.418  14.310  -8.046
  585   2HD2  ASN  73          2HD2      ASN  73   4.754  14.814 -11.345
  586   1HD2  ASN  73          1HD2      ASN  73   5.912  15.990 -10.773
  587    H    LYS  74           H        LYS  74   4.163  10.181  -8.045
  588    HA   LYS  74           HA       LYS  74   3.514  10.765  -5.252
  589   1HB   LYS  74          1HB       LYS  74   2.087   8.938  -7.210
  590   2HB   LYS  74          2HB       LYS  74   1.776   8.892  -5.472
  591   1HG   LYS  74          1HG       LYS  74   1.291  11.336  -7.223
  592   2HG   LYS  74          2HG       LYS  74   0.038  10.172  -6.783
  593   1HD   LYS  74          1HD       LYS  74   0.515  10.686  -4.362
  594   2HD   LYS  74          2HD       LYS  74   1.597  11.980  -4.896
  595   1HE   LYS  74          1HE       LYS  74  -0.290  13.096  -6.068
  596   2HE   LYS  74          2HE       LYS  74  -1.369  11.785  -5.598
  597   1HZ   LYS  74          1HZ       LYS  74  -0.918  12.297  -3.322
  598   2HZ   LYS  74          2HZ       LYS  74   0.085  13.514  -3.736
  599   3HZ   LYS  74          3HZ       LYS  74  -1.511  13.608  -4.093
  600    HA   PRO  75           HA       PRO  75   6.683   7.592  -4.989
  601   1HB   PRO  75          1HB       PRO  75   6.471   6.985  -2.329
  602   2HB   PRO  75          2HB       PRO  75   7.362   8.389  -2.962
  603   1HG   PRO  75          1HG       PRO  75   4.522   8.295  -1.841
  604   2HG   PRO  75          2HG       PRO  75   5.784   9.513  -1.541
  605   1HD   PRO  75          1HD       PRO  75   3.773   9.923  -3.339
  606   2HD   PRO  75          2HD       PRO  75   5.410  10.551  -3.676
  607    H    VAL  76           H        VAL  76   6.520   5.738  -5.801
  608    HA   VAL  76           HA       VAL  76   4.419   3.918  -4.868
  609    HB   VAL  76           HB       VAL  76   5.584   4.219  -7.699
  610   1HG1  VAL  76          1HG1      VAL  76   4.828   1.924  -7.198
  611   2HG1  VAL  76          2HG1      VAL  76   3.237   2.554  -6.701
  612   3HG1  VAL  76          3HG1      VAL  76   3.762   2.696  -8.403
  613   1HG2  VAL  76          1HG2      VAL  76   4.150   6.126  -7.256
  614   2HG2  VAL  76          2HG2      VAL  76   3.428   5.034  -8.457
  615   3HG2  VAL  76          3HG2      VAL  76   2.818   5.037  -6.775
  616    H    GLU  77           H        GLU  77   5.235   2.318  -3.843
  617    HA   GLU  77           HA       GLU  77   7.836   1.177  -4.645
  618   1HB   GLU  77          1HB       GLU  77   6.786   1.730  -1.838
  619   2HB   GLU  77          2HB       GLU  77   8.215   0.755  -2.174
  620   1HG   GLU  77          1HG       GLU  77   7.899   3.716  -2.810
  621   2HG   GLU  77          2HG       GLU  77   8.770   3.044  -1.427
  622    H    VAL  78           H        VAL  78   8.172  -1.000  -4.019
  623    HA   VAL  78           HA       VAL  78   5.705  -2.586  -4.015
  624    HB   VAL  78           HB       VAL  78   8.594  -3.300  -4.449
  625   1HG1  VAL  78          1HG1      VAL  78   7.238  -5.294  -3.702
  626   2HG1  VAL  78          2HG1      VAL  78   6.049  -4.958  -4.966
  627   3HG1  VAL  78          3HG1      VAL  78   7.681  -5.464  -5.412
  628   1HG2  VAL  78          1HG2      VAL  78   7.833  -1.924  -6.258
  629   2HG2  VAL  78          2HG2      VAL  78   8.021  -3.604  -6.812
  630   3HG2  VAL  78          3HG2      VAL  78   6.398  -2.954  -6.515
  631    H    ILE  79           H        ILE  79   5.199  -4.045  -2.396
  632    HA   ILE  79           HA       ILE  79   6.387  -3.779   0.233
  633    HB   ILE  79           HB       ILE  79   4.367  -5.767  -0.859
  634   1HG1  ILE  79          1HG1      ILE  79   3.714  -3.354   0.849
  635   2HG1  ILE  79          2HG1      ILE  79   3.876  -3.175  -0.891
  636   1HG2  ILE  79          1HG2      ILE  79   5.396  -6.540   1.198
  637   2HG2  ILE  79          2HG2      ILE  79   5.021  -5.009   2.011
  638   3HG2  ILE  79          3HG2      ILE  79   3.704  -6.086   1.478
  639   1HD1  ILE  79          1HD1      ILE  79   1.929  -5.058   0.523
  640   2HD1  ILE  79          2HD1      ILE  79   1.502  -3.515  -0.224
  641   3HD1  ILE  79          3HD1      ILE  79   2.075  -4.854  -1.237
  642    H    ASP  80           H        ASP  80   7.967  -4.919   1.060
  643    HA   ASP  80           HA       ASP  80   9.516  -6.831  -0.267
  644   1HB   ASP  80          1HB       ASP  80  10.312  -5.543   1.637
  645   2HB   ASP  80          2HB       ASP  80   9.087  -6.271   2.685
  646    H    SER  81           H        SER  81   9.232  -8.801  -0.808
  647    HA   SER  81           HA       SER  81   7.057 -10.296  -0.484
  648   1HB   SER  81          1HB       SER  81   9.909 -11.249  -0.923
  649   2HB   SER  81          2HB       SER  81   8.452 -12.228  -1.222
  650    HG   SER  81           HG       SER  81   9.180 -11.122  -3.154
  651    H    LEU  82           H        LEU  82   9.835 -10.118   1.771
  652    HA   LEU  82           HA       LEU  82   9.282 -12.480   3.254
  653   1HB   LEU  82          1HB       LEU  82  11.462 -11.598   2.958
  654   2HB   LEU  82          2HB       LEU  82  10.996 -10.024   3.616
  655    HG   LEU  82           HG       LEU  82  10.477 -11.164   5.784
  656   1HD1  LEU  82          1HD1      LEU  82  11.984 -13.496   4.512
  657   2HD1  LEU  82          2HD1      LEU  82  11.560 -13.385   6.232
  658   3HD1  LEU  82          3HD1      LEU  82  10.276 -13.508   5.018
  659   1HD2  LEU  82          1HD2      LEU  82  13.361 -11.312   4.824
  660   2HD2  LEU  82          2HD2      LEU  82  12.538  -9.909   5.563
  661   3HD2  LEU  82          3HD2      LEU  82  12.844 -11.373   6.519
  662    H    LEU  83           H        LEU  83   8.778  -8.919   3.933
  663    HA   LEU  83           HA       LEU  83   7.388  -9.179   6.289
  664   1HB   LEU  83          1HB       LEU  83   7.098  -7.170   4.037
  665   2HB   LEU  83          2HB       LEU  83   6.251  -7.010   5.574
  666    HG   LEU  83           HG       LEU  83   9.284  -7.108   5.256
  667   1HD1  LEU  83          1HD1      LEU  83   8.271  -5.016   4.352
  668   2HD1  LEU  83          2HD1      LEU  83   7.389  -4.793   5.874
  669   3HD1  LEU  83          3HD1      LEU  83   9.163  -4.707   5.859
  670   1HD2  LEU  83          1HD2      LEU  83   7.592  -6.531   7.712
  671   2HD2  LEU  83          2HD2      LEU  83   8.566  -7.995   7.410
  672   3HD2  LEU  83          3HD2      LEU  83   9.369  -6.418   7.587
  673    H    TYR  84           H        TYR  84   6.195  -9.331   2.993
  674    HA   TYR  84           HA       TYR  84   3.436  -9.591   3.467
  675   1HB   TYR  84          1HB       TYR  84   4.695  -9.119   1.301
  676   2HB   TYR  84          2HB       TYR  84   5.035 -10.846   1.215
  677    HD1  TYR  84           HD1      TYR  84   3.245 -12.469   0.679
  678    HD2  TYR  84           HD2      TYR  84   2.475  -8.244   0.874
  679    HE1  TYR  84           HE1      TYR  84   1.160 -12.780  -0.613
  680    HE2  TYR  84           HE2      TYR  84   0.368  -8.566  -0.347
  681    HH   TYR  84           HH       TYR  84  -0.995 -10.016  -1.266
  682    H    GLY  85           H        GLY  85   6.016 -12.080   3.206
  683   1HA   GLY  85          1HA       GLY  85   6.171 -14.223   3.864
  684   2HA   GLY  85          2HA       GLY  85   4.452 -14.393   3.467
  685    H    LYS  86           H        LYS  86   6.157 -12.423   5.953
  686    HA   LYS  86           HA       LYS  86   5.421 -13.980   8.204
  687   1HB   LYS  86          1HB       LYS  86   6.134 -11.045   7.898
  688   2HB   LYS  86          2HB       LYS  86   5.987 -11.897   9.461
  689   1HG   LYS  86          1HG       LYS  86   7.836 -13.416   8.710
  690   2HG   LYS  86          2HG       LYS  86   8.050 -12.371   7.281
  691   1HD   LYS  86          1HD       LYS  86   8.322 -10.406   8.844
  692   2HD   LYS  86          2HD       LYS  86   8.306 -11.555  10.198
  693   1HE   LYS  86          1HE       LYS  86  10.328 -11.529   7.928
  694   2HE   LYS  86          2HE       LYS  86  10.599 -10.906   9.573
  695   1HZ   LYS  86          1HZ       LYS  86   9.952 -13.673   8.906
  696   2HZ   LYS  86          2HZ       LYS  86  11.432 -13.112   9.319
  697   3HZ   LYS  86          3HZ       LYS  86  10.209 -13.082  10.407
  698    H    VAL  87           H        VAL  87   3.775 -11.560   6.318
  699    HA   VAL  87           HA       VAL  87   2.100 -10.217   6.467
  700    HB   VAL  87           HB       VAL  87   0.777 -12.200   8.338
  701   1HG1  VAL  87          1HG1      VAL  87  -0.431 -10.103   8.043
  702   2HG1  VAL  87          2HG1      VAL  87  -0.390 -10.290   6.276
  703   3HG1  VAL  87          3HG1      VAL  87  -1.298 -11.455   7.267
  704   1HG2  VAL  87          1HG2      VAL  87   1.645 -13.425   6.370
  705   2HG2  VAL  87          2HG2      VAL  87  -0.135 -13.328   6.348
  706   3HG2  VAL  87          3HG2      VAL  87   0.830 -12.270   5.290
  707    H    ASP  88           H        ASP  88   3.834  -9.064   7.643
  708    HA   ASP  88           HA       ASP  88   3.093  -8.386  10.412
  709   1HB   ASP  88          1HB       ASP  88   5.460  -9.143   9.858
  710   2HB   ASP  88          2HB       ASP  88   5.629  -7.656   8.918
  711    H    GLY  89           H        GLY  89   1.473  -7.091  10.133
  712   1HA   GLY  89          1HA       GLY  89   0.262  -5.167   9.769
  713   2HA   GLY  89          2HA       GLY  89   1.048  -5.137   8.172
  714    H    LEU  90           H        LEU  90   2.621  -4.826  11.379
  715    HA   LEU  90           HA       LEU  90   2.683  -1.969  11.436
  716   1HB   LEU  90          1HB       LEU  90   2.719  -3.521  13.401
  717   2HB   LEU  90          2HB       LEU  90   4.333  -4.041  12.893
  718    HG   LEU  90           HG       LEU  90   5.117  -1.713  13.048
  719   1HD1  LEU  90          1HD1      LEU  90   2.985  -0.496  12.846
  720   2HD1  LEU  90          2HD1      LEU  90   2.435  -1.170  14.401
  721   3HD1  LEU  90          3HD1      LEU  90   3.815  -0.054  14.356
  722   1HD2  LEU  90          1HD2      LEU  90   3.943  -2.885  15.606
  723   2HD2  LEU  90          2HD2      LEU  90   5.529  -3.268  14.887
  724   3HD2  LEU  90          3HD2      LEU  90   5.214  -1.643  15.537
  725    H    GLY  91           H        GLY  91   4.953  -4.533  10.448
  726   1HA   GLY  91          1HA       GLY  91   6.723  -4.597   9.071
  727   2HA   GLY  91          2HA       GLY  91   7.238  -3.106   9.858
  728    H    VAL  92           H        VAL  92   4.442  -3.815   7.727
  729    HA   VAL  92           HA       VAL  92   5.469  -2.379   5.474
  730    HB   VAL  92           HB       VAL  92   2.683  -3.352   6.162
  731   1HG1  VAL  92          1HG1      VAL  92   3.898  -2.640   3.455
  732   2HG1  VAL  92          2HG1      VAL  92   2.296  -3.369   3.685
  733   3HG1  VAL  92          3HG1      VAL  92   2.615  -1.731   4.294
  734   1HG2  VAL  92          1HG2      VAL  92   4.870  -4.678   4.511
  735   2HG2  VAL  92          2HG2      VAL  92   4.263  -5.241   6.088
  736   3HG2  VAL  92          3HG2      VAL  92   3.206  -5.282   4.662
  737    H    LEU  93           H        LEU  93   3.289  -1.570   8.167
  738    HA   LEU  93           HA       LEU  93   2.388   0.915   7.262
  739   1HB   LEU  93          1HB       LEU  93   2.148  -0.600   9.566
  740   2HB   LEU  93          2HB       LEU  93   3.158   0.747  10.120
  741    HG   LEU  93           HG       LEU  93   0.388   0.928   8.897
  742   1HD1  LEU  93          1HD1      LEU  93   0.407   0.101  11.195
  743   2HD1  LEU  93          2HD1      LEU  93   1.423   1.474  11.707
  744   3HD1  LEU  93          3HD1      LEU  93  -0.228   1.763  11.139
  745   1HD2  LEU  93          1HD2      LEU  93   1.698   2.939   8.264
  746   2HD2  LEU  93          2HD2      LEU  93   0.418   3.312   9.438
  747   3HD2  LEU  93          3HD2      LEU  93   2.109   3.204   9.977
  748    H    LYS  94           H        LYS  94   5.354   0.029   9.053
  749    HA   LYS  94           HA       LYS  94   6.319   2.671   9.315
  750   1HB   LYS  94          1HB       LYS  94   7.494  -0.103   9.545
  751   2HB   LYS  94          2HB       LYS  94   8.559   1.298   9.677
  752   1HG   LYS  94          1HG       LYS  94   7.289   2.213  11.535
  753   2HG   LYS  94          2HG       LYS  94   6.029   0.987  11.355
  754   1HD   LYS  94          1HD       LYS  94   7.595  -0.771  12.059
  755   2HD   LYS  94          2HD       LYS  94   8.928   0.396  12.105
  756   1HE   LYS  94          1HE       LYS  94   7.903   1.596  13.960
  757   2HE   LYS  94          2HE       LYS  94   6.428   0.620  13.860
  758   1HZ   LYS  94          1HZ       LYS  94   7.773  -1.292  14.365
  759   2HZ   LYS  94          2HZ       LYS  94   9.114  -0.368  14.476
  760   3HZ   LYS  94          3HZ       LYS  94   7.892  -0.163  15.541
  761    H    ALA  95           H        ALA  95   6.844   0.166   6.818
  762    HA   ALA  95           HA       ALA  95   8.822   1.583   5.396
  763   1HB   ALA  95          1HB       ALA  95   6.693  -0.440   4.522
  764   2HB   ALA  95          2HB       ALA  95   8.126  -0.032   3.548
  765   3HB   ALA  95          3HB       ALA  95   8.312  -0.866   5.116
  766    H    ALA  96           H        ALA  96   5.289   1.557   5.233
  767    HA   ALA  96           HA       ALA  96   4.991   3.266   3.042
  768   1HB   ALA  96          1HB       ALA  96   3.181   1.820   4.005
  769   2HB   ALA  96          2HB       ALA  96   3.228   2.765   5.500
  770   3HB   ALA  96          3HB       ALA  96   2.648   3.523   3.997
  771    H    VAL  97           H        VAL  97   5.192   3.967   6.568
  772    HA   VAL  97           HA       VAL  97   4.663   6.744   6.274
  773    HB   VAL  97           HB       VAL  97   4.695   4.777   8.156
  774   1HG1  VAL  97          1HG1      VAL  97   6.866   6.674   9.021
  775   2HG1  VAL  97          2HG1      VAL  97   6.000   5.542  10.097
  776   3HG1  VAL  97          3HG1      VAL  97   6.999   4.927   8.735
  777   1HG2  VAL  97          1HG2      VAL  97   4.544   7.813   8.533
  778   2HG2  VAL  97          2HG2      VAL  97   3.183   6.742   8.119
  779   3HG2  VAL  97          3HG2      VAL  97   3.939   6.646   9.725
  780    H    ALA  98           H        ALA  98   7.553   4.760   6.172
  781    HA   ALA  98           HA       ALA  98   9.469   6.808   6.451
  782   1HB   ALA  98          1HB       ALA  98   9.531   4.145   5.000
  783   2HB   ALA  98          2HB       ALA  98  10.990   5.099   5.407
  784   3HB   ALA  98          3HB       ALA  98   9.975   4.409   6.710
  785    H    ALA  99           H        ALA  99   7.750   5.365   3.631
  786    HA   ALA  99           HA       ALA  99   9.075   6.878   1.663
  787   1HB   ALA  99          1HB       ALA  99   7.915   4.743   1.223
  788   2HB   ALA  99          2HB       ALA  99   7.181   6.028   0.230
  789   3HB   ALA  99          3HB       ALA  99   6.370   5.471   1.719
  790    H    ILE 100           H        ILE 100   6.123   7.495   3.594
  791    HA   ILE 100           HA       ILE 100   5.332   9.842   2.199
  792    HB   ILE 100           HB       ILE 100   4.925   8.945   5.054
  793   1HG1  ILE 100          1HG1      ILE 100   2.946   8.819   2.754
  794   2HG1  ILE 100          2HG1      ILE 100   4.024   7.475   3.128
  795   1HG2  ILE 100          1HG2      ILE 100   4.522  11.351   4.816
  796   2HG2  ILE 100          2HG2      ILE 100   3.444  11.057   3.427
  797   3HG2  ILE 100          3HG2      ILE 100   2.963  10.516   5.053
  798   1HD1  ILE 100          1HD1      ILE 100   2.997   7.293   5.396
  799   2HD1  ILE 100          2HD1      ILE 100   1.908   8.631   4.986
  800   3HD1  ILE 100          3HD1      ILE 100   1.804   7.096   4.097
  801    H    LYS 101           H        LYS 101   7.394   9.266   5.106
  802    HA   LYS 101           HA       LYS 101   8.080  11.903   5.613
  803   1HB   LYS 101          1HB       LYS 101   9.563   9.339   6.032
  804   2HB   LYS 101          2HB       LYS 101  10.220  10.928   6.543
  805   1HG   LYS 101          1HG       LYS 101   7.943  11.186   7.817
  806   2HG   LYS 101          2HG       LYS 101   7.826   9.415   7.628
  807   1HD   LYS 101          1HD       LYS 101   8.769   9.663   9.664
  808   2HD   LYS 101          2HD       LYS 101  10.164   9.296   8.615
  809   1HE   LYS 101          1HE       LYS 101  10.599  11.794   8.447
  810   2HE   LYS 101          2HE       LYS 101   9.344  12.034   9.688
  811   1HZ   LYS 101          1HZ       LYS 101  10.646  10.649  11.133
  812   2HZ   LYS 101          2HZ       LYS 101  11.790  10.464   9.968
  813   3HZ   LYS 101          3HZ       LYS 101  11.525  11.932  10.614
  814    H    LYS 102           H        LYS 102   9.605   9.551   3.263
  815    HA   LYS 102           HA       LYS 102  11.825  11.072   2.609
  816   1HB   LYS 102          1HB       LYS 102  11.399   8.686   2.288
  817   2HB   LYS 102          2HB       LYS 102  10.245   9.058   0.981
  818   1HG   LYS 102          1HG       LYS 102  12.052  10.170  -0.293
  819   2HG   LYS 102          2HG       LYS 102  13.199   9.797   1.019
  820   1HD   LYS 102          1HD       LYS 102  12.789   7.385   0.688
  821   2HD   LYS 102          2HD       LYS 102  11.627   7.746  -0.603
  822   1HE   LYS 102          1HE       LYS 102  13.446   8.800  -1.948
  823   2HE   LYS 102          2HE       LYS 102  14.609   8.438  -0.656
  824   1HZ   LYS 102          1HZ       LYS 102  13.044   6.460  -2.146
  825   2HZ   LYS 102          2HZ       LYS 102  14.627   6.795  -2.361
  826   3HZ   LYS 102          3HZ       LYS 102  14.112   6.133  -0.957
  827    H    ALA 103           H        ALA 103   8.586  10.794   1.232
  828    HA   ALA 103           HA       ALA 103   8.749  12.650  -0.881
  829   1HB   ALA 103          1HB       ALA 103   6.902  11.047  -0.686
  830   2HB   ALA 103          2HB       ALA 103   6.329  11.866   0.793
  831   3HB   ALA 103          3HB       ALA 103   6.284  12.711  -0.767
  832    H    ALA 104           H        ALA 104   7.841  13.113   2.598
  833    HA   ALA 104           HA       ALA 104   7.714  15.981   2.313
  834   1HB   ALA 104          1HB       ALA 104   7.493  13.990   4.600
  835   2HB   ALA 104          2HB       ALA 104   7.152  15.735   4.753
  836   3HB   ALA 104          3HB       ALA 104   6.141  14.708   3.699
  837    H    ALA 105           H        ALA 105  10.231  14.648   1.663
  838    HA   ALA 105           HA       ALA 105  12.360  14.853   1.776
  839   1HB   ALA 105          1HB       ALA 105  11.840  17.218   3.589
  840   2HB   ALA 105          2HB       ALA 105  13.408  16.820   2.840
  841   3HB   ALA 105          3HB       ALA 105  12.008  17.230   1.816
  842    H    ASN 106           H        ASN 106  13.256  13.084   2.610
  843    HA   ASN 106           HA       ASN 106  14.623  13.227   5.025
  844   1HB   ASN 106          1HB       ASN 106  12.090  12.205   5.443
  845   2HB   ASN 106          2HB       ASN 106  12.961  10.760   4.944
  846   2HD2  ASN 106          2HD2      ASN 106  15.432  11.714   6.251
  847   1HD2  ASN 106          1HD2      ASN 106  15.294  11.492   7.978

  No H/Q in entry =         847
  Start of MODEL    5
    1    H1   MET   1           H1       MET   1  -5.344  19.543   9.444
    2    H2   MET   1           H2       MET   1  -6.370  19.897  10.657
    3    H3   MET   1           H3       MET   1  -4.908  19.249  10.976
    4    HA   MET   1           HA       MET   1  -6.563  17.519  11.195
    5   1HB   MET   1          1HB       MET   1  -8.022  18.810   9.429
    6   2HB   MET   1          2HB       MET   1  -7.019  18.002   8.230
    7   1HG   MET   1          1HG       MET   1  -8.562  16.510  10.356
    8   2HG   MET   1          2HG       MET   1  -9.231  16.903   8.768
    9   1HE   MET   1          1HE       MET   1  -9.358  14.023   9.731
   10   2HE   MET   1          2HE       MET   1  -9.816  14.536   8.090
   11   3HE   MET   1          3HE       MET   1  -8.768  13.116   8.318
   12    H    GLU   2           H        GLU   2  -5.321  15.564  11.162
   13    HA   GLU   2           HA       GLU   2  -3.202  15.428   9.117
   14   1HB   GLU   2          1HB       GLU   2  -2.548  15.989  11.510
   15   2HB   GLU   2          2HB       GLU   2  -3.210  14.418  11.985
   16   1HG   GLU   2          1HG       GLU   2  -0.932  13.975  11.765
   17   2HG   GLU   2          2HG       GLU   2  -1.580  13.415  10.217
   18    H    LYS   3           H        LYS   3  -4.013  13.848   7.658
   19    HA   LYS   3           HA       LYS   3  -4.118  11.237   8.731
   20   1HB   LYS   3          1HB       LYS   3  -6.553  12.605   7.888
   21   2HB   LYS   3          2HB       LYS   3  -6.133  11.375   6.671
   22   1HG   LYS   3          1HG       LYS   3  -7.556  10.169   8.083
   23   2HG   LYS   3          2HG       LYS   3  -5.937   9.739   8.668
   24   1HD   LYS   3          1HD       LYS   3  -6.147  11.373  10.487
   25   2HD   LYS   3          2HD       LYS   3  -7.743  11.862   9.875
   26   1HE   LYS   3          1HE       LYS   3  -8.627   9.613  10.336
   27   2HE   LYS   3          2HE       LYS   3  -7.026   9.075  10.890
   28   1HZ   LYS   3          1HZ       LYS   3  -7.152  10.757  12.596
   29   2HZ   LYS   3          2HZ       LYS   3  -8.630  11.222  12.082
   30   3HZ   LYS   3          3HZ       LYS   3  -8.416   9.734  12.714
   31    H    LYS   4           H        LYS   4  -3.000  10.015   7.482
   32    HA   LYS   4           HA       LYS   4  -2.394  10.924   4.745
   33   1HB   LYS   4          1HB       LYS   4  -0.868   9.277   6.747
   34   2HB   LYS   4          2HB       LYS   4  -0.509   9.102   5.028
   35   1HG   LYS   4          1HG       LYS   4   1.049  10.644   5.814
   36   2HG   LYS   4          2HG       LYS   4  -0.157  11.641   4.984
   37   1HD   LYS   4          1HD       LYS   4  -1.189  12.196   7.159
   38   2HD   LYS   4          2HD       LYS   4   0.033  11.212   7.986
   39   1HE   LYS   4          1HE       LYS   4   0.697  13.516   8.141
   40   2HE   LYS   4          2HE       LYS   4   1.810  12.722   7.014
   41   1HZ   LYS   4          1HZ       LYS   4   0.458  13.636   5.225
   42   2HZ   LYS   4          2HZ       LYS   4  -0.492  14.386   6.334
   43   3HZ   LYS   4          3HZ       LYS   4   1.063  14.813   6.201
   44    H    HIS   5           H        HIS   5  -2.674   9.679   2.971
   45    HA   HIS   5           HA       HIS   5  -4.389   7.345   3.304
   46   1HB   HIS   5          1HB       HIS   5  -4.038   9.365   1.063
   47   2HB   HIS   5          2HB       HIS   5  -4.866   7.835   0.799
   48    HD2  HIS   5           HD2      HIS   5  -5.160  11.095   2.988
   49    HE1  HIS   5           HE1      HIS   5  -8.984   9.453   2.608
   50    HE2  HIS   5           HE2      HIS   5  -7.660  11.447   3.458
   51    H    ILE   6           H        ILE   6  -3.535   5.471   3.183
   52    HA   ILE   6           HA       ILE   6  -1.149   4.937   1.524
   53    HB   ILE   6           HB       ILE   6  -2.090   3.628   4.095
   54   1HG1  ILE   6          1HG1      ILE   6   0.438   5.264   3.676
   55   2HG1  ILE   6          2HG1      ILE   6  -1.075   5.960   4.258
   56   1HG2  ILE   6          1HG2      ILE   6  -1.019   2.029   2.589
   57   2HG2  ILE   6          2HG2      ILE   6   0.383   3.098   2.392
   58   3HG2  ILE   6          3HG2      ILE   6   0.033   2.362   3.976
   59   1HD1  ILE   6          1HD1      ILE   6   0.487   3.746   5.625
   60   2HD1  ILE   6          2HD1      ILE   6   0.450   5.462   6.093
   61   3HD1  ILE   6          3HD1      ILE   6  -1.026   4.478   6.222
   62    H    TYR   7           H        TYR   7  -1.947   4.131  -0.305
   63    HA   TYR   7           HA       TYR   7  -4.200   2.239  -0.124
   64   1HB   TYR   7          1HB       TYR   7  -3.405   4.005  -2.450
   65   2HB   TYR   7          2HB       TYR   7  -4.678   2.801  -2.495
   66    HD1  TYR   7           HD1      TYR   7  -5.015   5.509  -3.320
   67    HD2  TYR   7           HD2      TYR   7  -5.616   3.772   0.594
   68    HE1  TYR   7           HE1      TYR   7  -6.668   7.245  -2.782
   69    HE2  TYR   7           HE2      TYR   7  -7.304   5.440   1.073
   70    HH   TYR   7           HH       TYR   7  -8.275   7.366   0.317
   71    H    LEU   8           H        LEU   8  -4.042   0.293  -0.723
   72    HA   LEU   8           HA       LEU   8  -1.535  -0.722  -1.914
   73   1HB   LEU   8          1HB       LEU   8  -3.530  -1.806   0.066
   74   2HB   LEU   8          2HB       LEU   8  -2.694  -2.947  -1.000
   75    HG   LEU   8           HG       LEU   8  -0.510  -1.870  -0.097
   76   1HD1  LEU   8          1HD1      LEU   8  -2.466  -0.728   1.897
   77   2HD1  LEU   8          2HD1      LEU   8  -0.673  -0.753   2.051
   78   3HD1  LEU   8          3HD1      LEU   8  -1.451   0.197   0.757
   79   1HD2  LEU   8          1HD2      LEU   8  -2.385  -3.255   1.869
   80   2HD2  LEU   8          2HD2      LEU   8  -1.345  -4.080   0.678
   81   3HD2  LEU   8          3HD2      LEU   8  -0.618  -3.153   2.003
   82    H    PHE   9           H        PHE   9  -1.472  -1.959  -3.639
   83    HA   PHE   9           HA       PHE   9  -3.995  -2.550  -5.041
   84   1HB   PHE   9          1HB       PHE   9  -1.481  -1.236  -6.141
   85   2HB   PHE   9          2HB       PHE   9  -2.748  -1.897  -7.162
   86    HD1  PHE   9           HD1      PHE   9  -1.846   0.770  -4.775
   87    HD2  PHE   9           HD2      PHE   9  -4.947  -0.771  -7.319
   88    HE1  PHE   9           HE1      PHE   9  -2.981   2.951  -4.717
   89    HE2  PHE   9           HE2      PHE   9  -6.121   1.382  -7.179
   90    HZ   PHE   9           HZ       PHE   9  -5.070   3.275  -6.022
   91    H    SER  11           H        SER  11  -3.376  -7.917  -8.194
   92    HA   SER  11           HA       SER  11  -4.816  -6.785 -10.165
   93   1HB   SER  11          1HB       SER  11  -4.914  -9.674  -9.200
   94   2HB   SER  11          2HB       SER  11  -5.310  -9.125 -10.835
   95    HG   SER  11           HG       SER  11  -3.227  -9.675 -11.037
   96    H    ALA  12           H        ALA  12  -6.300  -8.635  -7.476
   97    HA   ALA  12           HA       ALA  12  -8.964  -7.722  -8.377
   98   1HB   ALA  12          1HB       ALA  12  -8.595 -10.138  -8.264
   99   2HB   ALA  12          2HB       ALA  12  -8.127 -10.000  -6.551
  100   3HB   ALA  12          3HB       ALA  12  -9.796  -9.618  -7.058
  101    H    GLY  13           H        GLY  13  -6.692  -7.267  -5.750
  102   1HA   GLY  13          1HA       GLY  13  -8.402  -5.543  -4.310
  103   2HA   GLY  13          2HA       GLY  13  -6.781  -6.089  -3.854
  104    H    MET  14           H        MET  14  -7.356  -8.947  -3.686
  105    HA   MET  14           HA       MET  14  -9.349  -8.958  -1.530
  106   1HB   MET  14          1HB       MET  14  -8.489 -11.195  -3.407
  107   2HB   MET  14          2HB       MET  14  -9.528 -11.433  -1.999
  108   1HG   MET  14          1HG       MET  14 -11.023  -9.587  -3.096
  109   2HG   MET  14          2HG       MET  14 -10.072  -9.914  -4.547
  110   1HE   MET  14          1HE       MET  14  -9.598 -13.121  -4.314
  111   2HE   MET  14          2HE       MET  14 -11.007 -13.742  -5.200
  112   3HE   MET  14          3HE       MET  14 -10.108 -12.345  -5.835
  113    H    SER  15           H        SER  15  -6.209 -10.676  -2.280
  114    HA   SER  15           HA       SER  15  -6.055 -11.928   0.222
  115   1HB   SER  15          1HB       SER  15  -3.703 -12.315  -0.389
  116   2HB   SER  15          2HB       SER  15  -4.762 -12.640  -1.766
  117    HG   SER  15           HG       SER  15  -3.086 -11.327  -2.541
  118    H    THR  16           H        THR  16  -5.121  -8.696  -0.797
  119    HA   THR  16           HA       THR  16  -3.319  -7.930   1.203
  120    HB   THR  16           HB       THR  16  -4.246  -5.635   0.584
  121    HG1  THR  16           HG1      THR  16  -5.591  -5.799  -1.431
  122   1HG2  THR  16          1HG2      THR  16  -2.230  -6.544  -0.466
  123   2HG2  THR  16          2HG2      THR  16  -3.210  -7.415  -1.662
  124   3HG2  THR  16          3HG2      THR  16  -3.204  -5.635  -1.640
  125    H    SER  17           H        SER  17  -6.849  -8.299   1.394
  126    HA   SER  17           HA       SER  17  -7.512  -6.274   3.055
  127   1HB   SER  17          1HB       SER  17  -9.523  -7.561   3.561
  128   2HB   SER  17          2HB       SER  17  -9.058  -7.748   1.852
  129    HG   SER  17           HG       SER  17  -9.471  -9.820   2.575
  130    H    LEU  18           H        LEU  18  -6.418  -9.515   4.083
  131    HA   LEU  18           HA       LEU  18  -6.811  -9.046   6.846
  132   1HB   LEU  18          1HB       LEU  18  -6.563 -11.353   5.984
  133   2HB   LEU  18          2HB       LEU  18  -4.904 -11.007   5.461
  134    HG   LEU  18           HG       LEU  18  -4.302 -10.544   7.782
  135   1HD1  LEU  18          1HD1      LEU  18  -7.020 -11.776   8.417
  136   2HD1  LEU  18          2HD1      LEU  18  -5.724 -11.511   9.604
  137   3HD1  LEU  18          3HD1      LEU  18  -6.491 -10.121   8.812
  138   1HD2  LEU  18          1HD2      LEU  18  -5.376 -13.327   7.145
  139   2HD2  LEU  18          2HD2      LEU  18  -3.759 -12.697   6.745
  140   3HD2  LEU  18          3HD2      LEU  18  -4.217 -12.968   8.441
  141    H    LEU  19           H        LEU  19  -3.865  -8.667   4.853
  142    HA   LEU  19           HA       LEU  19  -2.235  -7.692   6.890
  143   1HB   LEU  19          1HB       LEU  19  -1.948  -8.230   4.195
  144   2HB   LEU  19          2HB       LEU  19  -2.007  -6.472   4.161
  145    HG   LEU  19           HG       LEU  19  -0.149  -8.005   6.033
  146   1HD1  LEU  19          1HD1      LEU  19   0.414  -7.089   3.192
  147   2HD1  LEU  19          2HD1      LEU  19   1.609  -7.701   4.368
  148   3HD1  LEU  19          3HD1      LEU  19   0.317  -8.775   3.772
  149   1HD2  LEU  19          1HD2      LEU  19  -0.453  -5.597   6.506
  150   2HD2  LEU  19          2HD2      LEU  19   1.200  -5.960   5.943
  151   3HD2  LEU  19          3HD2      LEU  19   0.035  -5.210   4.829
  152    H    VAL  20           H        VAL  20  -4.578  -5.960   4.823
  153    HA   VAL  20           HA       VAL  20  -4.088  -3.349   5.665
  154    HB   VAL  20           HB       VAL  20  -6.621  -4.707   4.820
  155   1HG1  VAL  20          1HG1      VAL  20  -6.025  -1.713   4.928
  156   2HG1  VAL  20          2HG1      VAL  20  -7.442  -2.448   4.140
  157   3HG1  VAL  20          3HG1      VAL  20  -7.224  -2.601   5.899
  158   1HG2  VAL  20          1HG2      VAL  20  -4.591  -2.990   3.304
  159   2HG2  VAL  20          2HG2      VAL  20  -4.843  -4.738   3.085
  160   3HG2  VAL  20          3HG2      VAL  20  -6.117  -3.588   2.608
  161    H    SER  21           H        SER  21  -6.431  -5.823   6.946
  162    HA   SER  21           HA       SER  21  -7.461  -4.404   8.956
  163   1HB   SER  21          1HB       SER  21  -8.253  -6.628   8.285
  164   2HB   SER  21          2HB       SER  21  -6.769  -7.380   8.911
  165    HG   SER  21           HG       SER  21  -8.639  -7.493  10.421
  166    H    LYS  22           H        LYS  22  -4.515  -6.431   9.142
  167    HA   LYS  22           HA       LYS  22  -3.856  -5.890  11.845
  168   1HB   LYS  22          1HB       LYS  22  -2.152  -6.705   9.459
  169   2HB   LYS  22          2HB       LYS  22  -1.527  -6.578  11.100
  170   1HG   LYS  22          1HG       LYS  22  -3.125  -8.359  11.866
  171   2HG   LYS  22          2HG       LYS  22  -3.701  -8.497  10.127
  172   1HD   LYS  22          1HD       LYS  22  -1.733  -9.103   9.394
  173   2HD   LYS  22          2HD       LYS  22  -0.921  -8.857  11.031
  174   1HE   LYS  22          1HE       LYS  22  -3.123 -10.911  10.484
  175   2HE   LYS  22          2HE       LYS  22  -1.398 -11.324  10.453
  176   1HZ   LYS  22          1HZ       LYS  22  -2.816 -10.151  12.727
  177   2HZ   LYS  22          2HZ       LYS  22  -2.411 -11.726  12.571
  178   3HZ   LYS  22          3HZ       LYS  22  -1.243 -10.591  12.695
  179    H    MET  23           H        MET  23  -3.036  -4.194   8.854
  180    HA   MET  23           HA       MET  23  -1.216  -2.296   9.861
  181   1HB   MET  23          1HB       MET  23  -3.248  -2.174   7.605
  182   2HB   MET  23          2HB       MET  23  -2.113  -0.870   7.994
  183   1HG   MET  23          1HG       MET  23  -0.981  -3.607   7.561
  184   2HG   MET  23          2HG       MET  23  -1.471  -2.687   6.127
  185   1HE   MET  23          1HE       MET  23  -0.082  -0.775   5.075
  186   2HE   MET  23          2HE       MET  23  -0.705   0.259   6.389
  187   3HE   MET  23          3HE       MET  23   1.022   0.251   6.003
  188    H    ARG  24           H        ARG  24  -4.798  -2.174   9.541
  189    HA   ARG  24           HA       ARG  24  -5.095   0.427  10.627
  190   1HB   ARG  24          1HB       ARG  24  -6.983  -1.929  10.288
  191   2HB   ARG  24          2HB       ARG  24  -7.510  -0.413  11.016
  192   1HG   ARG  24          1HG       ARG  24  -6.792   0.785   8.938
  193   2HG   ARG  24          2HG       ARG  24  -6.481  -0.776   8.177
  194   1HD   ARG  24          1HD       ARG  24  -8.864  -1.452   8.583
  195   2HD   ARG  24          2HD       ARG  24  -9.169   0.090   9.351
  196    HE   ARG  24           HE       ARG  24  -8.600   1.072   7.063
  197   1HH1  ARG  24          1HH1      ARG  24  -9.720  -2.273   7.266
  198   2HH1  ARG  24          2HH1      ARG  24 -10.461  -2.240   5.702
  199   1HH2  ARG  24          1HH2      ARG  24  -9.862   1.166   5.138
  200   2HH2  ARG  24          2HH2      ARG  24 -10.554  -0.269   4.507
  201    H    ALA  25           H        ALA  25  -5.242  -2.845  12.144
  202    HA   ALA  25           HA       ALA  25  -5.951  -1.926  14.638
  203   1HB   ALA  25          1HB       ALA  25  -6.095  -4.277  13.856
  204   2HB   ALA  25          2HB       ALA  25  -4.328  -4.369  13.756
  205   3HB   ALA  25          3HB       ALA  25  -5.118  -4.224  15.348
  206    H    GLN  26           H        GLN  26  -2.664  -2.432  13.297
  207    HA   GLN  26           HA       GLN  26  -1.303  -1.599  15.698
  208   1HB   GLN  26          1HB       GLN  26  -0.535  -1.848  12.769
  209   2HB   GLN  26          2HB       GLN  26   0.602  -1.234  13.969
  210   1HG   GLN  26          1HG       GLN  26  -0.719  -3.943  14.287
  211   2HG   GLN  26          2HG       GLN  26   0.695  -3.736  13.276
  212   2HE2  GLN  26          2HE2      GLN  26   2.201  -4.969  14.570
  213   1HE2  GLN  26          1HE2      GLN  26   2.649  -4.415  16.154
  214    H    ALA  27           H        ALA  27  -2.666   0.157  12.944
  215    HA   ALA  27           HA       ALA  27  -1.480   2.653  13.568
  216   1HB   ALA  27          1HB       ALA  27  -2.619   2.154  11.372
  217   2HB   ALA  27          2HB       ALA  27  -4.145   1.957  12.256
  218   3HB   ALA  27          3HB       ALA  27  -3.365   3.554  12.170
  219    H    GLU  28           H        GLU  28  -4.542   1.062  14.682
  220    HA   GLU  28           HA       GLU  28  -5.408   3.214  16.260
  221   1HB   GLU  28          1HB       GLU  28  -5.852   0.220  16.237
  222   2HB   GLU  28          2HB       GLU  28  -6.664   1.264  17.434
  223   1HG   GLU  28          1HG       GLU  28  -7.706   2.532  15.561
  224   2HG   GLU  28          2HG       GLU  28  -6.898   1.450  14.393
  225    H    LYS  29           H        LYS  29  -3.426   0.345  16.984
  226    HA   LYS  29           HA       LYS  29  -3.167   0.601  19.723
  227   1HB   LYS  29          1HB       LYS  29  -2.506  -1.332  18.291
  228   2HB   LYS  29          2HB       LYS  29  -1.154  -0.405  17.678
  229   1HG   LYS  29          1HG       LYS  29  -0.257  -0.211  20.026
  230   2HG   LYS  29          2HG       LYS  29  -1.588  -1.238  20.591
  231   1HD   LYS  29          1HD       LYS  29  -0.807  -3.099  19.262
  232   2HD   LYS  29          2HD       LYS  29   0.433  -2.087  18.481
  233   1HE   LYS  29          1HE       LYS  29   1.508  -1.757  20.741
  234   2HE   LYS  29          2HE       LYS  29   0.339  -2.924  21.417
  235   1HZ   LYS  29          1HZ       LYS  29   2.180  -3.405  19.206
  236   2HZ   LYS  29          2HZ       LYS  29   2.375  -3.957  20.733
  237   3HZ   LYS  29          3HZ       LYS  29   1.126  -4.499  19.816
  238    H    TYR  30           H        TYR  30  -1.219   2.131  17.155
  239    HA   TYR  30           HA       TYR  30   0.320   3.583  19.220
  240   1HB   TYR  30          1HB       TYR  30   0.929   2.845  16.342
  241   2HB   TYR  30          2HB       TYR  30   1.945   3.920  17.294
  242    HD1  TYR  30           HD1      TYR  30   2.599   2.742  19.753
  243    HD2  TYR  30           HD2      TYR  30   1.432   0.657  16.170
  244    HE1  TYR  30           HE1      TYR  30   3.869   0.797  20.481
  245    HE2  TYR  30           HE2      TYR  30   2.705  -1.288  16.873
  246    HH   TYR  30           HH       TYR  30   4.393  -1.932  18.398
  247    H    GLU  31           H        GLU  31  -2.374   4.416  18.257
  248    HA   GLU  31           HA       GLU  31  -3.425   5.777  16.857
  249   1HB   GLU  31          1HB       GLU  31  -3.555   7.995  17.899
  250   2HB   GLU  31          2HB       GLU  31  -3.722   6.625  19.001
  251   1HG   GLU  31          1HG       GLU  31  -1.552   6.941  19.896
  252   2HG   GLU  31          2HG       GLU  31  -1.118   8.129  18.649
  253    H    VAL  32           H        VAL  32  -2.093   5.281  15.029
  254    HA   VAL  32           HA       VAL  32  -0.555   7.535  13.927
  255    HB   VAL  32           HB       VAL  32  -1.131   4.801  12.769
  256   1HG1  VAL  32          1HG1      VAL  32   1.008   6.879  12.104
  257   2HG1  VAL  32          2HG1      VAL  32   0.879   5.271  11.361
  258   3HG1  VAL  32          3HG1      VAL  32  -0.402   6.478  11.095
  259   1HG2  VAL  32          1HG2      VAL  32   1.325   5.687  14.329
  260   2HG2  VAL  32          2HG2      VAL  32   0.101   4.496  14.836
  261   3HG2  VAL  32          3HG2      VAL  32   1.152   4.152  13.440
  262    HA   PRO  33           HA       PRO  33  -4.579   8.459  12.253
  263   1HB   PRO  33          1HB       PRO  33  -4.142  11.077  11.516
  264   2HB   PRO  33          2HB       PRO  33  -4.399  10.595  13.210
  265   1HG   PRO  33          1HG       PRO  33  -1.762  11.085  11.747
  266   2HG   PRO  33          2HG       PRO  33  -2.245  11.633  13.379
  267   1HD   PRO  33          1HD       PRO  33  -0.690   9.417  12.970
  268   2HD   PRO  33          2HD       PRO  33  -1.828   9.530  14.336
  269    H    VAL  34           H        VAL  34  -4.300   6.930  10.667
  270    HA   VAL  34           HA       VAL  34  -3.902   7.966   7.922
  271    HB   VAL  34           HB       VAL  34  -2.828   5.841   7.366
  272   1HG1  VAL  34          1HG1      VAL  34  -1.350   7.589   9.344
  273   2HG1  VAL  34          2HG1      VAL  34  -0.597   6.414   8.235
  274   3HG1  VAL  34          3HG1      VAL  34  -1.486   7.808   7.580
  275   1HG2  VAL  34          1HG2      VAL  34  -2.545   5.498  10.383
  276   2HG2  VAL  34          2HG2      VAL  34  -3.457   4.432   9.294
  277   3HG2  VAL  34          3HG2      VAL  34  -1.690   4.533   9.159
  278    H    ILE  35           H        ILE  35  -4.769   6.966   6.300
  279    HA   ILE  35           HA       ILE  35  -7.118   5.230   6.796
  280    HB   ILE  35           HB       ILE  35  -6.585   7.247   4.589
  281   1HG1  ILE  35          1HG1      ILE  35  -7.080   8.442   6.549
  282   2HG1  ILE  35          2HG1      ILE  35  -8.431   8.539   5.419
  283   1HG2  ILE  35          1HG2      ILE  35  -7.853   5.350   3.737
  284   2HG2  ILE  35          2HG2      ILE  35  -9.038   5.525   5.050
  285   3HG2  ILE  35          3HG2      ILE  35  -8.881   6.802   3.821
  286   1HD1  ILE  35          1HD1      ILE  35  -9.694   6.918   6.815
  287   2HD1  ILE  35          2HD1      ILE  35  -8.338   6.877   7.975
  288   3HD1  ILE  35          3HD1      ILE  35  -9.227   8.383   7.709
  289    H    ILE  36           H        ILE  36  -6.573   3.234   6.329
  290    HA   ILE  36           HA       ILE  36  -4.689   2.758   4.093
  291    HB   ILE  36           HB       ILE  36  -5.168   0.902   6.447
  292   1HG1  ILE  36          1HG1      ILE  36  -2.704   2.656   6.234
  293   2HG1  ILE  36          2HG1      ILE  36  -4.192   3.263   6.974
  294   1HG2  ILE  36          1HG2      ILE  36  -4.253  -0.106   4.413
  295   2HG2  ILE  36          2HG2      ILE  36  -2.937   1.080   4.374
  296   3HG2  ILE  36          3HG2      ILE  36  -3.035  -0.097   5.704
  297   1HD1  ILE  36          1HD1      ILE  36  -4.150   1.429   8.615
  298   2HD1  ILE  36          2HD1      ILE  36  -2.663   0.792   7.856
  299   3HD1  ILE  36          3HD1      ILE  36  -2.649   2.373   8.666
  300    H    GLU  37           H        GLU  37  -5.569   1.838   2.375
  301    HA   GLU  37           HA       GLU  37  -7.885   0.068   2.582
  302   1HB   GLU  37          1HB       GLU  37  -8.488   2.615   2.477
  303   2HB   GLU  37          2HB       GLU  37  -7.955   2.508   0.792
  304   1HG   GLU  37          1HG       GLU  37  -9.654   0.884   0.250
  305   2HG   GLU  37          2HG       GLU  37 -10.161   0.756   1.947
  306    H    ALA  38           H        ALA  38  -8.194  -1.235   0.892
  307    HA   ALA  38           HA       ALA  38  -5.998  -1.367  -1.082
  308   1HB   ALA  38          1HB       ALA  38  -7.798  -3.569   0.026
  309   2HB   ALA  38          2HB       ALA  38  -6.508  -3.796  -1.174
  310   3HB   ALA  38          3HB       ALA  38  -6.102  -3.281   0.476
  311    H    PHE  39           H        PHE  39  -6.343  -1.783  -3.208
  312    HA   PHE  39           HA       PHE  39  -9.072  -1.842  -4.257
  313   1HB   PHE  39          1HB       PHE  39  -6.880   0.109  -5.048
  314   2HB   PHE  39          2HB       PHE  39  -8.406  -0.075  -5.911
  315    HD1  PHE  39           HD1      PHE  39  -6.783   1.414  -2.958
  316    HD2  PHE  39           HD2      PHE  39 -10.557   0.600  -4.860
  317    HE1  PHE  39           HE1      PHE  39  -7.828   3.238  -1.692
  318    HE2  PHE  39           HE2      PHE  39 -11.602   2.335  -3.454
  319    HZ   PHE  39           HZ       PHE  39 -10.225   3.676  -1.935
  320    HA   PRO  40           HA       PRO  40  -7.010  -4.323  -7.449
  321   1HB   PRO  40          1HB       PRO  40  -8.768  -3.816  -9.559
  322   2HB   PRO  40          2HB       PRO  40  -8.944  -5.147  -8.376
  323   1HG   PRO  40          1HG       PRO  40 -10.328  -2.497  -8.477
  324   2HG   PRO  40          2HG       PRO  40 -10.904  -4.097  -7.898
  325   1HD   PRO  40          1HD       PRO  40 -10.165  -2.137  -6.129
  326   2HD   PRO  40          2HD       PRO  40  -9.915  -3.862  -5.782
  327    H    GLU  41           H        GLU  41  -6.007  -4.126  -9.530
  328    HA   GLU  41           HA       GLU  41  -4.309  -1.880  -9.433
  329   1HB   GLU  41          1HB       GLU  41  -3.008  -3.052 -10.978
  330   2HB   GLU  41          2HB       GLU  41  -3.828  -4.361 -10.129
  331   1HG   GLU  41          1HG       GLU  41  -4.649  -3.281 -12.804
  332   2HG   GLU  41          2HG       GLU  41  -3.550  -4.659 -12.511
  333    H    THR  42           H        THR  42  -6.957  -2.588 -11.622
  334    HA   THR  42           HA       THR  42  -6.479  -0.662 -13.528
  335    HB   THR  42           HB       THR  42  -8.089  -2.373 -13.876
  336    HG1  THR  42           HG1      THR  42  -9.762  -1.111 -14.770
  337   1HG2  THR  42          1HG2      THR  42  -9.865  -1.041 -11.801
  338   2HG2  THR  42          2HG2      THR  42 -10.323  -2.385 -12.868
  339   3HG2  THR  42          3HG2      THR  42  -9.076  -2.639 -11.628
  340    H    LEU  43           H        LEU  43  -7.513  -0.099 -10.302
  341    HA   LEU  43           HA       LEU  43  -8.440   2.635 -10.918
  342   1HB   LEU  43          1HB       LEU  43  -8.495   0.906  -8.437
  343   2HB   LEU  43          2HB       LEU  43  -9.128   2.570  -8.479
  344    HG   LEU  43           HG       LEU  43 -10.143   0.279 -10.213
  345   1HD1  LEU  43          1HD1      LEU  43 -10.609  -0.144  -7.867
  346   2HD1  LEU  43          2HD1      LEU  43 -11.335   1.480  -7.695
  347   3HD1  LEU  43          3HD1      LEU  43 -12.092   0.268  -8.764
  348   1HD2  LEU  43          1HD2      LEU  43 -10.541   2.538 -11.200
  349   2HD2  LEU  43          2HD2      LEU  43 -12.049   1.769 -10.671
  350   3HD2  LEU  43          3HD2      LEU  43 -11.323   3.053  -9.687
  351    H    ALA  44           H        ALA  44  -5.541   1.418 -10.701
  352    HA   ALA  44           HA       ALA  44  -4.234   2.763  -8.689
  353   1HB   ALA  44          1HB       ALA  44  -3.240   2.060 -11.502
  354   2HB   ALA  44          2HB       ALA  44  -2.182   2.407 -10.114
  355   3HB   ALA  44          3HB       ALA  44  -3.225   0.958 -10.117
  356    H    GLY  45           H        GLY  45  -4.960   4.004 -12.004
  357   1HA   GLY  45          1HA       GLY  45  -4.972   6.090 -12.819
  358   2HA   GLY  45          2HA       GLY  45  -3.601   6.463 -11.734
  359    H    GLU  46           H        GLU  46  -7.060   5.641 -11.386
  360    HA   GLU  46           HA       GLU  46  -7.911   8.221 -10.892
  361   1HB   GLU  46          1HB       GLU  46  -9.119   6.046 -11.632
  362   2HB   GLU  46          2HB       GLU  46  -9.318   5.725  -9.900
  363   1HG   GLU  46          1HG       GLU  46 -11.324   6.809 -10.404
  364   2HG   GLU  46          2HG       GLU  46 -10.332   8.168  -9.844
  365    H    LYS  47           H        LYS  47  -7.505   5.541  -8.539
  366    HA   LYS  47           HA       LYS  47  -8.121   7.334  -6.329
  367   1HB   LYS  47          1HB       LYS  47  -7.241   4.426  -6.280
  368   2HB   LYS  47          2HB       LYS  47  -7.800   5.360  -4.897
  369   1HG   LYS  47          1HG       LYS  47  -9.500   4.608  -7.319
  370   2HG   LYS  47          2HG       LYS  47  -9.606   3.881  -5.723
  371   1HD   LYS  47          1HD       LYS  47 -10.249   6.153  -4.804
  372   2HD   LYS  47          2HD       LYS  47 -10.312   6.740  -6.469
  373   1HE   LYS  47          1HE       LYS  47 -11.951   4.855  -6.990
  374   2HE   LYS  47          2HE       LYS  47 -12.017   4.541  -5.240
  375   1HZ   LYS  47          1HZ       LYS  47 -12.635   6.807  -4.921
  376   2HZ   LYS  47          2HZ       LYS  47 -12.589   7.095  -6.529
  377   3HZ   LYS  47          3HZ       LYS  47 -13.700   6.062  -5.918
  378    H    GLY  48           H        GLY  48  -5.200   5.963  -7.772
  379   1HA   GLY  48          1HA       GLY  48  -3.038   6.224  -7.356
  380   2HA   GLY  48          2HA       GLY  48  -3.431   6.363  -5.623
  381    H    GLN  49           H        GLN  49  -4.809   8.557  -8.015
  382    HA   GLN  49           HA       GLN  49  -3.136  10.713  -7.899
  383   1HB   GLN  49          1HB       GLN  49  -6.120  10.371  -8.237
  384   2HB   GLN  49          2HB       GLN  49  -5.395  11.988  -8.264
  385   1HG   GLN  49          1HG       GLN  49  -4.039  11.451 -10.159
  386   2HG   GLN  49          2HG       GLN  49  -4.327   9.705  -9.949
  387   2HE2  GLN  49          2HE2      GLN  49  -5.033   9.576 -12.247
  388   1HE2  GLN  49          1HE2      GLN  49  -6.685  10.101 -12.526
  389    H    ASN  50           H        ASN  50  -5.410   9.585  -5.443
  390    HA   ASN  50           HA       ASN  50  -4.747  11.901  -3.745
  391   1HB   ASN  50          1HB       ASN  50  -7.249  10.187  -3.886
  392   2HB   ASN  50          2HB       ASN  50  -6.926  11.384  -2.614
  393   2HD2  ASN  50          2HD2      ASN  50  -8.502  11.021  -5.656
  394   1HD2  ASN  50          1HD2      ASN  50  -8.454  12.717  -6.067
  395    H    ALA  51           H        ALA  51  -3.290   9.295  -4.166
  396    HA   ALA  51           HA       ALA  51  -3.255   8.458  -1.349
  397   1HB   ALA  51          1HB       ALA  51  -3.322   6.696  -3.045
  398   2HB   ALA  51          2HB       ALA  51  -1.829   7.327  -3.793
  399   3HB   ALA  51          3HB       ALA  51  -1.778   6.667  -2.146
  400    H    ASP  52           H        ASP  52  -1.649   8.941  -0.004
  401    HA   ASP  52           HA       ASP  52   0.493  10.716  -0.766
  402   1HB   ASP  52          1HB       ASP  52  -0.194   9.359   1.885
  403   2HB   ASP  52          2HB       ASP  52   1.131  10.511   1.639
  404    H    VAL  53           H        VAL  53   0.161   7.200   0.018
  405    HA   VAL  53           HA       VAL  53   2.463   6.901  -1.721
  406    HB   VAL  53           HB       VAL  53   3.335   6.821   0.584
  407   1HG1  VAL  53          1HG1      VAL  53   1.508   5.955   1.710
  408   2HG1  VAL  53          2HG1      VAL  53   1.677   4.350   0.927
  409   3HG1  VAL  53          3HG1      VAL  53   2.988   4.962   2.004
  410   1HG2  VAL  53          1HG2      VAL  53   3.458   4.244  -1.055
  411   2HG2  VAL  53          2HG2      VAL  53   4.492   5.630  -1.293
  412   3HG2  VAL  53          3HG2      VAL  53   4.618   4.698   0.231
  413    H    VAL  54           H        VAL  54   2.295   5.274  -3.075
  414    HA   VAL  54           HA       VAL  54  -0.058   3.486  -2.994
  415    HB   VAL  54           HB       VAL  54   1.852   4.340  -5.178
  416   1HG1  VAL  54          1HG1      VAL  54  -0.655   2.611  -5.371
  417   2HG1  VAL  54          2HG1      VAL  54   0.283   3.193  -6.769
  418   3HG1  VAL  54          3HG1      VAL  54   1.017   2.056  -5.611
  419   1HG2  VAL  54          1HG2      VAL  54  -1.090   5.017  -4.733
  420   2HG2  VAL  54          2HG2      VAL  54   0.279   6.129  -4.572
  421   3HG2  VAL  54          3HG2      VAL  54  -0.148   5.475  -6.180
  422    H    LEU  55           H        LEU  55   0.334   1.544  -2.298
  423    HA   LEU  55           HA       LEU  55   3.035   0.406  -2.616
  424   1HB   LEU  55          1HB       LEU  55   0.874  -0.027  -0.519
  425   2HB   LEU  55          2HB       LEU  55   2.244  -1.133  -0.694
  426    HG   LEU  55           HG       LEU  55   2.640   1.871  -0.315
  427   1HD1  LEU  55          1HD1      LEU  55   1.280   0.907   1.599
  428   2HD1  LEU  55          2HD1      LEU  55   2.516  -0.350   1.812
  429   3HD1  LEU  55          3HD1      LEU  55   2.925   1.353   2.111
  430   1HD2  LEU  55          1HD2      LEU  55   4.502  -0.436   0.195
  431   2HD2  LEU  55          2HD2      LEU  55   4.536   0.776  -1.138
  432   3HD2  LEU  55          3HD2      LEU  55   4.746   1.303   0.550
  433    H    LEU  56           H        LEU  56   3.364  -1.399  -3.598
  434    HA   LEU  56           HA       LEU  56   1.084  -2.778  -4.855
  435   1HB   LEU  56          1HB       LEU  56   4.048  -2.786  -5.570
  436   2HB   LEU  56          2HB       LEU  56   2.763  -3.495  -6.545
  437    HG   LEU  56           HG       LEU  56   2.965  -0.528  -5.923
  438   1HD1  LEU  56          1HD1      LEU  56   3.852  -2.061  -8.410
  439   2HD1  LEU  56          2HD1      LEU  56   3.810  -0.295  -8.237
  440   3HD1  LEU  56          3HD1      LEU  56   4.923  -1.249  -7.245
  441   1HD2  LEU  56          1HD2      LEU  56   0.695  -1.286  -6.547
  442   2HD2  LEU  56          2HD2      LEU  56   1.414  -0.277  -7.824
  443   3HD2  LEU  56          3HD2      LEU  56   1.355  -2.040  -8.024
  444    H    GLY  57           H        GLY  57   0.725  -4.855  -4.701
  445   1HA   GLY  57          1HA       GLY  57   0.927  -7.084  -4.316
  446   2HA   GLY  57          2HA       GLY  57   1.999  -6.674  -2.960
  447    HA   PRO  58           HA       PRO  58   5.690  -7.456  -5.175
  448   1HB   PRO  58          1HB       PRO  58   6.215 -10.108  -4.394
  449   2HB   PRO  58          2HB       PRO  58   6.697  -8.628  -3.522
  450   1HG   PRO  58          1HG       PRO  58   4.325 -10.428  -3.050
  451   2HG   PRO  58          2HG       PRO  58   5.368  -9.572  -1.883
  452   1HD   PRO  58          1HD       PRO  58   2.895  -8.611  -2.548
  453   2HD   PRO  58          2HD       PRO  58   4.254  -7.502  -2.205
  454    H    GLN  59           H        GLN  59   3.029  -9.767  -5.541
  455    HA   GLN  59           HA       GLN  59   3.842 -11.040  -7.866
  456   1HB   GLN  59          1HB       GLN  59   1.362 -11.425  -8.209
  457   2HB   GLN  59          2HB       GLN  59   2.039 -12.007  -6.702
  458   1HG   GLN  59          1HG       GLN  59   0.754  -9.284  -6.707
  459   2HG   GLN  59          2HG       GLN  59  -0.282 -10.708  -6.773
  460   2HE2  GLN  59          2HE2      GLN  59  -1.182 -10.332  -4.674
  461   1HE2  GLN  59          1HE2      GLN  59  -0.214 -10.555  -3.261
  462    H    ILE  60           H        ILE  60   2.531  -7.779  -7.587
  463    HA   ILE  60           HA       ILE  60   2.512  -7.711 -10.532
  464    HB   ILE  60           HB       ILE  60   1.071  -5.789 -10.454
  465   1HG1  ILE  60          1HG1      ILE  60   0.353  -6.323  -7.576
  466   2HG1  ILE  60          2HG1      ILE  60   1.696  -5.231  -7.974
  467   1HG2  ILE  60          1HG2      ILE  60  -0.045  -8.273  -9.101
  468   2HG2  ILE  60          2HG2      ILE  60  -1.022  -7.013  -9.882
  469   3HG2  ILE  60          3HG2      ILE  60   0.114  -7.988 -10.842
  470   1HD1  ILE  60          1HD1      ILE  60  -1.153  -4.910  -8.985
  471   2HD1  ILE  60          2HD1      ILE  60  -0.388  -3.977  -7.671
  472   3HD1  ILE  60          3HD1      ILE  60   0.220  -3.840  -9.338
  473    H    ALA  61           H        ALA  61   4.700  -7.414  -8.506
  474    HA   ALA  61           HA       ALA  61   5.568  -4.729  -8.426
  475   1HB   ALA  61          1HB       ALA  61   7.759  -5.764  -7.807
  476   2HB   ALA  61          2HB       ALA  61   6.400  -6.527  -6.939
  477   3HB   ALA  61          3HB       ALA  61   7.133  -7.349  -8.338
  478    H    TYR  62           H        TYR  62   6.038  -7.241 -10.903
  479    HA   TYR  62           HA       TYR  62   7.966  -5.915 -12.421
  480   1HB   TYR  62          1HB       TYR  62   7.377  -7.328 -14.197
  481   2HB   TYR  62          2HB       TYR  62   7.139  -8.262 -12.725
  482    HD1  TYR  62           HD1      TYR  62   5.699  -7.146 -15.784
  483    HD2  TYR  62           HD2      TYR  62   4.702  -8.551 -11.834
  484    HE1  TYR  62           HE1      TYR  62   3.434  -7.773 -16.557
  485    HE2  TYR  62           HE2      TYR  62   2.383  -8.921 -12.557
  486    HH   TYR  62           HH       TYR  62   0.977  -8.966 -14.283
  487    H    MET  63           H        MET  63   4.514  -5.075 -12.080
  488    HA   MET  63           HA       MET  63   4.634  -3.271 -14.321
  489   1HB   MET  63          1HB       MET  63   2.629  -4.080 -12.249
  490   2HB   MET  63          2HB       MET  63   2.294  -2.718 -13.363
  491   1HG   MET  63          1HG       MET  63   2.926  -4.471 -15.211
  492   2HG   MET  63          2HG       MET  63   2.619  -5.658 -13.939
  493   1HE   MET  63          1HE       MET  63   0.186  -5.998 -12.792
  494   2HE   MET  63          2HE       MET  63   0.132  -4.267 -12.358
  495   3HE   MET  63          3HE       MET  63  -1.244  -5.014 -13.202
  496    H    LEU  64           H        LEU  64   6.190  -2.898 -11.388
  497    HA   LEU  64           HA       LEU  64   5.360  -0.437 -10.473
  498   1HB   LEU  64          1HB       LEU  64   6.896  -1.754  -9.263
  499   2HB   LEU  64          2HB       LEU  64   8.086  -1.769 -10.529
  500    HG   LEU  64           HG       LEU  64   7.972   0.830 -10.356
  501   1HD1  LEU  64          1HD1      LEU  64   6.072   0.953  -8.795
  502   2HD1  LEU  64          2HD1      LEU  64   7.008   0.054  -7.565
  503   3HD1  LEU  64          3HD1      LEU  64   7.522   1.675  -8.057
  504   1HD2  LEU  64          1HD2      LEU  64   9.388  -0.843  -8.259
  505   2HD2  LEU  64          2HD2      LEU  64   9.974  -0.371  -9.887
  506   3HD2  LEU  64          3HD2      LEU  64   9.727   0.868  -8.639
  507    HA   PRO  65           HA       PRO  65   8.006   1.818 -13.825
  508   1HB   PRO  65          1HB       PRO  65   7.561  -0.173 -16.061
  509   2HB   PRO  65          2HB       PRO  65   8.911   0.981 -15.824
  510   1HG   PRO  65          1HG       PRO  65   9.252  -1.630 -15.235
  511   2HG   PRO  65          2HG       PRO  65   9.940  -0.383 -14.163
  512   1HD   PRO  65          1HD       PRO  65   7.395  -2.017 -13.742
  513   2HD   PRO  65          2HD       PRO  65   8.621  -1.483 -12.565
  514    H    GLU  66           H        GLU  66   5.139  -0.229 -14.547
  515    HA   GLU  66           HA       GLU  66   4.074   1.658 -16.428
  516   1HB   GLU  66          1HB       GLU  66   3.843  -0.910 -16.375
  517   2HB   GLU  66          2HB       GLU  66   2.663  -0.659 -15.085
  518   1HG   GLU  66          1HG       GLU  66   1.460  -0.891 -17.155
  519   2HG   GLU  66          2HG       GLU  66   1.327   0.798 -16.635
  520    H    ILE  67           H        ILE  67   3.435   0.714 -13.047
  521    HA   ILE  67           HA       ILE  67   1.145   2.391 -12.586
  522    HB   ILE  67           HB       ILE  67   3.210   1.233 -10.758
  523   1HG1  ILE  67          1HG1      ILE  67   2.161  -0.528 -11.948
  524   2HG1  ILE  67          2HG1      ILE  67   1.609  -0.553 -10.263
  525   1HG2  ILE  67          1HG2      ILE  67   0.461   2.354 -10.152
  526   2HG2  ILE  67          2HG2      ILE  67   1.456   1.467  -8.955
  527   3HG2  ILE  67          3HG2      ILE  67   2.032   3.008  -9.628
  528   1HD1  ILE  67          1HD1      ILE  67  -0.563   0.399 -10.975
  529   2HD1  ILE  67          2HD1      ILE  67  -0.022   0.340 -12.676
  530   3HD1  ILE  67          3HD1      ILE  67  -0.204  -1.154 -11.748
  531    H    GLN  68           H        GLN  68   4.706   2.751 -12.135
  532    HA   GLN  68           HA       GLN  68   4.626   5.302 -11.024
  533   1HB   GLN  68          1HB       GLN  68   6.492   3.484 -11.206
  534   2HB   GLN  68          2HB       GLN  68   6.828   4.213 -12.796
  535   1HG   GLN  68          1HG       GLN  68   7.933   5.938 -11.857
  536   2HG   GLN  68          2HG       GLN  68   6.576   6.252 -10.734
  537   2HE2  GLN  68          2HE2      GLN  68   7.324   6.314  -8.696
  538   1HE2  GLN  68          1HE2      GLN  68   8.407   5.086  -8.034
  539    H    ARG  69           H        ARG  69   4.746   4.181 -14.466
  540    HA   ARG  69           HA       ARG  69   5.076   6.580 -15.736
  541   1HB   ARG  69          1HB       ARG  69   5.237   4.379 -16.635
  542   2HB   ARG  69          2HB       ARG  69   3.503   4.107 -16.426
  543   1HG   ARG  69          1HG       ARG  69   4.267   6.451 -18.108
  544   2HG   ARG  69          2HG       ARG  69   4.607   4.858 -18.814
  545   1HD   ARG  69          1HD       ARG  69   2.206   4.230 -18.408
  546   2HD   ARG  69          2HD       ARG  69   1.927   5.895 -17.838
  547    HE   ARG  69           HE       ARG  69   3.172   6.200 -20.255
  548   1HH1  ARG  69          1HH1      ARG  69   0.297   4.348 -19.355
  549   2HH1  ARG  69          2HH1      ARG  69  -0.494   4.557 -20.875
  550   1HH2  ARG  69          1HH2      ARG  69   2.129   6.426 -22.301
  551   2HH2  ARG  69          2HH2      ARG  69   0.573   5.723 -22.554
  552    H    LEU  70           H        LEU  70   2.117   5.000 -14.476
  553    HA   LEU  70           HA       LEU  70   0.183   6.918 -15.300
  554   1HB   LEU  70          1HB       LEU  70   0.410   4.703 -13.283
  555   2HB   LEU  70          2HB       LEU  70  -1.077   5.735 -13.338
  556    HG   LEU  70           HG       LEU  70   0.181   4.215 -15.594
  557   1HD1  LEU  70          1HD1      LEU  70  -2.055   3.320 -13.713
  558   2HD1  LEU  70          2HD1      LEU  70  -1.619   2.460 -15.202
  559   3HD1  LEU  70          3HD1      LEU  70  -0.439   2.585 -13.882
  560   1HD2  LEU  70          1HD2      LEU  70  -1.538   5.983 -16.265
  561   2HD2  LEU  70          2HD2      LEU  70  -2.192   4.359 -16.591
  562   3HD2  LEU  70          3HD2      LEU  70  -2.691   5.237 -15.137
  563    H    LEU  71           H        LEU  71   1.997   6.385 -12.274
  564    HA   LEU  71           HA       LEU  71   1.133   9.024 -11.238
  565   1HB   LEU  71          1HB       LEU  71   1.821   6.493  -9.743
  566   2HB   LEU  71          2HB       LEU  71   1.209   7.992  -9.029
  567    HG   LEU  71           HG       LEU  71  -0.384   6.396 -11.050
  568   1HD1  LEU  71          1HD1      LEU  71   0.144   4.906  -9.162
  569   2HD1  LEU  71          2HD1      LEU  71  -0.429   6.138  -8.015
  570   3HD1  LEU  71          3HD1      LEU  71  -1.565   5.362  -9.152
  571   1HD2  LEU  71          1HD2      LEU  71  -1.141   8.703 -10.686
  572   2HD2  LEU  71          2HD2      LEU  71  -2.318   7.527 -10.073
  573   3HD2  LEU  71          3HD2      LEU  71  -1.286   8.408  -8.937
  574    HA   PRO  72           HA       PRO  72   5.713   8.864 -11.288
  575   1HB   PRO  72          1HB       PRO  72   6.251  11.204 -12.673
  576   2HB   PRO  72          2HB       PRO  72   5.974   9.644 -13.497
  577   1HG   PRO  72          1HG       PRO  72   4.030  11.940 -13.043
  578   2HG   PRO  72          2HG       PRO  72   4.259  10.947 -14.495
  579   1HD   PRO  72          1HD       PRO  72   2.212  10.400 -12.712
  580   2HD   PRO  72          2HD       PRO  72   3.031   9.117 -13.611
  581    H    ASN  73           H        ASN  73   3.519  11.443 -10.443
  582    HA   ASN  73           HA       ASN  73   5.590  12.611  -8.719
  583   1HB   ASN  73          1HB       ASN  73   2.811  13.640  -9.404
  584   2HB   ASN  73          2HB       ASN  73   3.984  14.450  -8.359
  585   2HD2  ASN  73          2HD2      ASN  73   3.181  13.820 -11.805
  586   1HD2  ASN  73          1HD2      ASN  73   4.590  14.709 -12.344
  587    H    LYS  74           H        LYS  74   4.269   9.989  -8.177
  588    HA   LYS  74           HA       LYS  74   3.391  10.575  -5.449
  589   1HB   LYS  74          1HB       LYS  74   2.296   8.571  -7.436
  590   2HB   LYS  74          2HB       LYS  74   1.896   8.501  -5.710
  591   1HG   LYS  74          1HG       LYS  74   1.170  10.782  -7.604
  592   2HG   LYS  74          2HG       LYS  74   0.056   9.535  -7.019
  593   1HD   LYS  74          1HD       LYS  74   0.465  10.309  -4.686
  594   2HD   LYS  74          2HD       LYS  74   1.468  11.625  -5.322
  595   1HE   LYS  74          1HE       LYS  74  -0.499  12.478  -6.625
  596   2HE   LYS  74          2HE       LYS  74  -1.494  11.207  -5.920
  597   1HZ   LYS  74          1HZ       LYS  74  -0.937  12.037  -3.762
  598   2HZ   LYS  74          2HZ       LYS  74  -0.046  13.243  -4.407
  599   3HZ   LYS  74          3HZ       LYS  74  -1.663  13.187  -4.668
  600    HA   PRO  75           HA       PRO  75   6.690   7.572  -4.862
  601   1HB   PRO  75          1HB       PRO  75   6.382   7.119  -2.192
  602   2HB   PRO  75          2HB       PRO  75   7.202   8.554  -2.853
  603   1HG   PRO  75          1HG       PRO  75   4.326   8.326  -1.848
  604   2HG   PRO  75          2HG       PRO  75   5.488   9.642  -1.577
  605   1HD   PRO  75          1HD       PRO  75   3.526   9.772  -3.493
  606   2HD   PRO  75          2HD       PRO  75   5.107  10.558  -3.750
  607    H    VAL  76           H        VAL  76   6.478   5.745  -5.721
  608    HA   VAL  76           HA       VAL  76   4.324   3.974  -4.820
  609    HB   VAL  76           HB       VAL  76   5.584   4.171  -7.621
  610   1HG1  VAL  76          1HG1      VAL  76   4.743   1.925  -7.062
  611   2HG1  VAL  76          2HG1      VAL  76   3.160   2.619  -6.633
  612   3HG1  VAL  76          3HG1      VAL  76   3.734   2.682  -8.326
  613   1HG2  VAL  76          1HG2      VAL  76   4.210   6.144  -7.249
  614   2HG2  VAL  76          2HG2      VAL  76   3.509   5.058  -8.472
  615   3HG2  VAL  76          3HG2      VAL  76   2.818   5.106  -6.822
  616    H    GLU  77           H        GLU  77   5.031   2.362  -3.763
  617    HA   GLU  77           HA       GLU  77   7.654   1.197  -4.429
  618   1HB   GLU  77          1HB       GLU  77   6.506   1.801  -1.676
  619   2HB   GLU  77          2HB       GLU  77   7.947   0.817  -1.941
  620   1HG   GLU  77          1HG       GLU  77   7.611   3.781  -2.574
  621   2HG   GLU  77          2HG       GLU  77   8.546   3.083  -1.241
  622    H    VAL  78           H        VAL  78   7.987  -0.917  -3.918
  623    HA   VAL  78           HA       VAL  78   5.590  -2.601  -3.920
  624    HB   VAL  78           HB       VAL  78   8.526  -3.119  -4.343
  625   1HG1  VAL  78          1HG1      VAL  78   6.145  -5.028  -4.760
  626   2HG1  VAL  78          2HG1      VAL  78   7.815  -5.378  -5.224
  627   3HG1  VAL  78          3HG1      VAL  78   7.390  -5.199  -3.507
  628   1HG2  VAL  78          1HG2      VAL  78   6.258  -3.037  -6.358
  629   2HG2  VAL  78          2HG2      VAL  78   7.594  -1.867  -6.156
  630   3HG2  VAL  78          3HG2      VAL  78   7.929  -3.533  -6.686
  631    H    ILE  79           H        ILE  79   5.035  -3.931  -2.226
  632    HA   ILE  79           HA       ILE  79   6.216  -3.593   0.390
  633    HB   ILE  79           HB       ILE  79   4.216  -5.608  -0.671
  634   1HG1  ILE  79          1HG1      ILE  79   3.521  -3.244   1.074
  635   2HG1  ILE  79          2HG1      ILE  79   3.766  -2.973  -0.645
  636   1HG2  ILE  79          1HG2      ILE  79   4.906  -4.837   2.193
  637   2HG2  ILE  79          2HG2      ILE  79   3.574  -5.911   1.690
  638   3HG2  ILE  79          3HG2      ILE  79   5.267  -6.369   1.382
  639   1HD1  ILE  79          1HD1      ILE  79   1.781  -4.950   0.579
  640   2HD1  ILE  79          2HD1      ILE  79   1.361  -3.367  -0.087
  641   3HD1  ILE  79          3HD1      ILE  79   1.989  -4.634  -1.160
  642    H    ASP  80           H        ASP  80   7.866  -4.598   1.206
  643    HA   ASP  80           HA       ASP  80   9.510  -6.439  -0.053
  644   1HB   ASP  80          1HB       ASP  80  10.159  -5.042   1.860
  645   2HB   ASP  80          2HB       ASP  80   9.047  -5.947   2.910
  646    H    SER  81           H        SER  81   9.490  -8.457  -0.466
  647    HA   SER  81           HA       SER  81   7.277  -9.984  -0.338
  648   1HB   SER  81          1HB       SER  81   8.765 -11.900  -0.989
  649   2HB   SER  81          2HB       SER  81   9.004 -10.413  -1.932
  650    HG   SER  81           HG       SER  81  11.041 -11.322  -1.266
  651    H    LEU  82           H        LEU  82   9.907  -9.855   2.075
  652    HA   LEU  82           HA       LEU  82   9.232 -12.249   3.481
  653   1HB   LEU  82          1HB       LEU  82  11.446 -11.497   3.325
  654   2HB   LEU  82          2HB       LEU  82  11.039  -9.879   3.912
  655    HG   LEU  82           HG       LEU  82  10.387 -10.892   6.092
  656   1HD1  LEU  82          1HD1      LEU  82  11.742 -13.384   4.954
  657   2HD1  LEU  82          2HD1      LEU  82  11.289 -13.171   6.657
  658   3HD1  LEU  82          3HD1      LEU  82  10.026 -13.248   5.414
  659   1HD2  LEU  82          1HD2      LEU  82  13.277 -11.317   5.238
  660   2HD2  LEU  82          2HD2      LEU  82  12.557  -9.824   5.905
  661   3HD2  LEU  82          3HD2      LEU  82  12.699 -11.277   6.914
  662    H    LEU  83           H        LEU  83   8.760  -8.691   4.127
  663    HA   LEU  83           HA       LEU  83   7.271  -8.903   6.450
  664   1HB   LEU  83          1HB       LEU  83   7.099  -6.916   4.173
  665   2HB   LEU  83          2HB       LEU  83   6.242  -6.727   5.708
  666    HG   LEU  83           HG       LEU  83   9.276  -6.896   5.412
  667   1HD1  LEU  83          1HD1      LEU  83   8.306  -4.763   4.537
  668   2HD1  LEU  83          2HD1      LEU  83   7.425  -4.550   6.057
  669   3HD1  LEU  83          3HD1      LEU  83   9.203  -4.505   6.050
  670   1HD2  LEU  83          1HD2      LEU  83   7.565  -6.389   7.863
  671   2HD2  LEU  83          2HD2      LEU  83   8.544  -7.829   7.502
  672   3HD2  LEU  83          3HD2      LEU  83   9.354  -6.263   7.755
  673    H    TYR  84           H        TYR  84   6.245  -9.046   3.092
  674    HA   TYR  84           HA       TYR  84   3.459  -9.273   3.435
  675   1HB   TYR  84          1HB       TYR  84   4.828  -8.777   1.334
  676   2HB   TYR  84          2HB       TYR  84   5.124 -10.509   1.229
  677    HD1  TYR  84           HD1      TYR  84   3.431 -12.028   0.395
  678    HD2  TYR  84           HD2      TYR  84   2.515  -7.880   1.066
  679    HE1  TYR  84           HE1      TYR  84   1.342 -12.266  -0.910
  680    HE2  TYR  84           HE2      TYR  84   0.380  -8.157  -0.142
  681    HH   TYR  84           HH       TYR  84  -0.997  -9.634  -1.126
  682    H    GLY  85           H        GLY  85   6.014 -11.803   3.202
  683   1HA   GLY  85          1HA       GLY  85   6.119 -13.949   3.850
  684   2HA   GLY  85          2HA       GLY  85   4.407 -14.082   3.416
  685    H    LYS  86           H        LYS  86   6.131 -12.222   5.976
  686    HA   LYS  86           HA       LYS  86   5.260 -13.808   8.158
  687   1HB   LYS  86          1HB       LYS  86   6.285 -10.968   7.900
  688   2HB   LYS  86          2HB       LYS  86   5.952 -11.743   9.472
  689   1HG   LYS  86          1HG       LYS  86   7.604 -13.548   8.773
  690   2HG   LYS  86          2HG       LYS  86   8.046 -12.494   7.411
  691   1HD   LYS  86          1HD       LYS  86   8.187 -11.663  10.321
  692   2HD   LYS  86          2HD       LYS  86   9.562 -12.294   9.387
  693   1HE   LYS  86          1HE       LYS  86   9.306 -10.366   7.810
  694   2HE   LYS  86          2HE       LYS  86   8.011  -9.730   8.865
  695   1HZ   LYS  86          1HZ       LYS  86  10.760 -10.250   9.698
  696   2HZ   LYS  86          2HZ       LYS  86  10.123  -8.776   9.386
  697   3HZ   LYS  86          3HZ       LYS  86   9.561  -9.654  10.640
  698    H    VAL  87           H        VAL  87   3.736 -11.345   6.292
  699    HA   VAL  87           HA       VAL  87   2.033 -10.023   6.389
  700    HB   VAL  87           HB       VAL  87   0.735 -12.004   8.279
  701   1HG1  VAL  87          1HG1      VAL  87  -0.539  -9.952   7.875
  702   2HG1  VAL  87          2HG1      VAL  87  -0.453 -10.218   6.120
  703   3HG1  VAL  87          3HG1      VAL  87  -1.340 -11.369   7.145
  704   1HG2  VAL  87          1HG2      VAL  87   1.697 -13.255   6.383
  705   2HG2  VAL  87          2HG2      VAL  87  -0.082 -13.231   6.307
  706   3HG2  VAL  87          3HG2      VAL  87   0.873 -12.172   5.239
  707    H    ASP  88           H        ASP  88   3.708  -8.806   7.580
  708    HA   ASP  88           HA       ASP  88   2.992  -8.238  10.375
  709   1HB   ASP  88          1HB       ASP  88   5.286  -9.016   9.998
  710   2HB   ASP  88          2HB       ASP  88   5.548  -7.722   8.831
  711    H    GLY  89           H        GLY  89   1.468  -6.861  10.324
  712   1HA   GLY  89          1HA       GLY  89   0.346  -4.866  10.216
  713   2HA   GLY  89          2HA       GLY  89   1.082  -4.706   8.590
  714    H    LEU  90           H        LEU  90   3.192  -4.877  11.429
  715    HA   LEU  90           HA       LEU  90   3.236  -2.019  11.897
  716   1HB   LEU  90          1HB       LEU  90   3.536  -3.748  13.688
  717   2HB   LEU  90          2HB       LEU  90   5.002  -4.293  12.865
  718    HG   LEU  90           HG       LEU  90   5.978  -2.037  13.111
  719   1HD1  LEU  90          1HD1      LEU  90   3.544  -1.470  14.854
  720   2HD1  LEU  90          2HD1      LEU  90   4.997  -0.442  14.725
  721   3HD1  LEU  90          3HD1      LEU  90   3.948  -0.681  13.310
  722   1HD2  LEU  90          1HD2      LEU  90   6.535  -3.783  14.725
  723   2HD2  LEU  90          2HD2      LEU  90   6.463  -2.197  15.521
  724   3HD2  LEU  90          3HD2      LEU  90   5.116  -3.349  15.717
  725    H    GLY  91           H        GLY  91   5.416  -4.531  10.527
  726   1HA   GLY  91          1HA       GLY  91   7.030  -4.512   9.017
  727   2HA   GLY  91          2HA       GLY  91   7.579  -3.010   9.775
  728    H    VAL  92           H        VAL  92   4.587  -3.705   7.924
  729    HA   VAL  92           HA       VAL  92   5.451  -2.267   5.601
  730    HB   VAL  92           HB       VAL  92   2.712  -3.268   6.421
  731   1HG1  VAL  92          1HG1      VAL  92   3.819  -2.536   3.673
  732   2HG1  VAL  92          2HG1      VAL  92   2.237  -3.287   3.952
  733   3HG1  VAL  92          3HG1      VAL  92   2.553  -1.643   4.553
  734   1HG2  VAL  92          1HG2      VAL  92   4.843  -4.562   4.679
  735   2HG2  VAL  92          2HG2      VAL  92   4.307  -5.131   6.282
  736   3HG2  VAL  92          3HG2      VAL  92   3.193  -5.191   4.898
  737    H    LEU  93           H        LEU  93   3.362  -1.460   8.407
  738    HA   LEU  93           HA       LEU  93   2.478   1.012   7.479
  739   1HB   LEU  93          1HB       LEU  93   2.429  -0.463   9.926
  740   2HB   LEU  93          2HB       LEU  93   3.188   1.086  10.308
  741    HG   LEU  93           HG       LEU  93   0.462   0.738   8.997
  742   1HD1  LEU  93          1HD1      LEU  93   0.468   0.002  11.327
  743   2HD1  LEU  93          2HD1      LEU  93   1.217   1.538  11.831
  744   3HD1  LEU  93          3HD1      LEU  93  -0.415   1.535  11.141
  745   1HD2  LEU  93          1HD2      LEU  93   1.552   2.891   8.358
  746   2HD2  LEU  93          2HD2      LEU  93   0.143   3.123   9.418
  747   3HD2  LEU  93          3HD2      LEU  93   1.786   3.263  10.083
  748    H    LYS  94           H        LYS  94   5.443   0.165   9.243
  749    HA   LYS  94           HA       LYS  94   6.400   2.817   9.500
  750   1HB   LYS  94          1HB       LYS  94   7.692   0.082   9.615
  751   2HB   LYS  94          2HB       LYS  94   8.631   1.550   9.924
  752   1HG   LYS  94          1HG       LYS  94   7.207   2.188  11.786
  753   2HG   LYS  94          2HG       LYS  94   6.063   0.900  11.432
  754   1HD   LYS  94          1HD       LYS  94   7.281   0.148  13.297
  755   2HD   LYS  94          2HD       LYS  94   7.938  -0.750  11.926
  756   1HE   LYS  94          1HE       LYS  94   9.736  -0.073  13.381
  757   2HE   LYS  94          2HE       LYS  94   9.881   0.863  11.876
  758   1HZ   LYS  94          1HZ       LYS  94   8.776   2.660  13.021
  759   2HZ   LYS  94          2HZ       LYS  94   8.712   1.782  14.397
  760   3HZ   LYS  94          3HZ       LYS  94  10.155   2.230  13.784
  761    H    ALA  95           H        ALA  95   6.829   0.306   6.992
  762    HA   ALA  95           HA       ALA  95   8.789   1.677   5.504
  763   1HB   ALA  95          1HB       ALA  95   6.623  -0.344   4.730
  764   2HB   ALA  95          2HB       ALA  95   8.036   0.025   3.713
  765   3HB   ALA  95          3HB       ALA  95   8.251  -0.769   5.298
  766    H    ALA  96           H        ALA  96   5.242   1.629   5.368
  767    HA   ALA  96           HA       ALA  96   4.919   3.259   3.136
  768   1HB   ALA  96          1HB       ALA  96   3.129   1.853   4.135
  769   2HB   ALA  96          2HB       ALA  96   3.165   2.839   5.607
  770   3HB   ALA  96          3HB       ALA  96   2.580   3.548   4.080
  771    H    VAL  97           H        VAL  97   5.143   4.108   6.630
  772    HA   VAL  97           HA       VAL  97   4.645   6.882   6.220
  773    HB   VAL  97           HB       VAL  97   4.609   5.048   8.199
  774   1HG1  VAL  97          1HG1      VAL  97   6.945   4.979   8.634
  775   2HG1  VAL  97          2HG1      VAL  97   6.994   6.730   8.913
  776   3HG1  VAL  97          3HG1      VAL  97   6.083   5.692  10.045
  777   1HG2  VAL  97          1HG2      VAL  97   4.803   8.095   8.492
  778   2HG2  VAL  97          2HG2      VAL  97   3.315   7.173   8.160
  779   3HG2  VAL  97          3HG2      VAL  97   4.126   7.026   9.736
  780    H    ALA  98           H        ALA  98   7.471   4.836   6.105
  781    HA   ALA  98           HA       ALA  98   9.462   6.829   6.362
  782   1HB   ALA  98          1HB       ALA  98   9.423   4.123   5.001
  783   2HB   ALA  98          2HB       ALA  98  10.920   5.031   5.367
  784   3HB   ALA  98          3HB       ALA  98   9.891   4.420   6.696
  785    H    ALA  99           H        ALA  99   7.678   5.356   3.580
  786    HA   ALA  99           HA       ALA  99   9.073   6.727   1.575
  787   1HB   ALA  99          1HB       ALA  99   7.800   4.643   1.223
  788   2HB   ALA  99          2HB       ALA  99   7.147   5.920   0.163
  789   3HB   ALA  99          3HB       ALA  99   6.290   5.472   1.660
  790    H    ILE 100           H        ILE 100   6.081   7.533   3.375
  791    HA   ILE 100           HA       ILE 100   5.405   9.862   1.895
  792    HB   ILE 100           HB       ILE 100   4.908   9.017   4.761
  793   1HG1  ILE 100          1HG1      ILE 100   2.976   8.878   2.431
  794   2HG1  ILE 100          2HG1      ILE 100   4.044   7.536   2.840
  795   1HG2  ILE 100          1HG2      ILE 100   4.566  11.430   4.479
  796   2HG2  ILE 100          2HG2      ILE 100   3.511  11.139   3.074
  797   3HG2  ILE 100          3HG2      ILE 100   2.990  10.630   4.703
  798   1HD1  ILE 100          1HD1      ILE 100   3.007   7.375   5.088
  799   2HD1  ILE 100          2HD1      ILE 100   1.919   8.715   4.670
  800   3HD1  ILE 100          3HD1      ILE 100   1.815   7.177   3.787
  801    H    LYS 101           H        LYS 101   7.217   9.373   4.968
  802    HA   LYS 101           HA       LYS 101   8.034  11.991   5.315
  803   1HB   LYS 101          1HB       LYS 101   9.006   9.338   6.231
  804   2HB   LYS 101          2HB       LYS 101  10.021  10.786   6.540
  805   1HG   LYS 101          1HG       LYS 101   7.977  11.881   7.580
  806   2HG   LYS 101          2HG       LYS 101   7.153  10.287   7.434
  807   1HD   LYS 101          1HD       LYS 101   8.509   9.247   8.899
  808   2HD   LYS 101          2HD       LYS 101   9.783  10.512   8.848
  809   1HE   LYS 101          1HE       LYS 101   6.981  10.913   9.978
  810   2HE   LYS 101          2HE       LYS 101   8.398  10.523  10.973
  811   1HZ   LYS 101          1HZ       LYS 101   8.119  12.888   9.265
  812   2HZ   LYS 101          2HZ       LYS 101   7.988  12.867  10.890
  813   3HZ   LYS 101          3HZ       LYS 101   9.417  12.527  10.182
  814    H    LYS 102           H        LYS 102   9.568   9.428   3.214
  815    HA   LYS 102           HA       LYS 102  11.980  10.761   2.755
  816   1HB   LYS 102          1HB       LYS 102  11.411   8.369   2.346
  817   2HB   LYS 102          2HB       LYS 102  10.425   8.869   0.949
  818   1HG   LYS 102          1HG       LYS 102  12.454   9.972  -0.029
  819   2HG   LYS 102          2HG       LYS 102  13.414   9.298   1.309
  820   1HD   LYS 102          1HD       LYS 102  12.682   7.015   0.626
  821   2HD   LYS 102          2HD       LYS 102  11.764   7.728  -0.713
  822   1HE   LYS 102          1HE       LYS 102  14.788   8.008  -0.395
  823   2HE   LYS 102          2HE       LYS 102  14.002   6.819  -1.439
  824   1HZ   LYS 102          1HZ       LYS 102  13.638   9.718  -1.645
  825   2HZ   LYS 102          2HZ       LYS 102  14.610   8.815  -2.603
  826   3HZ   LYS 102          3HZ       LYS 102  12.987   8.602  -2.627
  827    H    ALA 103           H        ALA 103   8.863  10.575   0.994
  828    HA   ALA 103           HA       ALA 103   9.359  12.307  -1.104
  829   1HB   ALA 103          1HB       ALA 103   7.362  10.886  -0.960
  830   2HB   ALA 103          2HB       ALA 103   6.755  11.862   0.406
  831   3HB   ALA 103          3HB       ALA 103   6.901  12.587  -1.210
  832    H    ALA 104           H        ALA 104   8.034  13.135   2.184
  833    HA   ALA 104           HA       ALA 104   7.870  15.866   1.832
  834   1HB   ALA 104          1HB       ALA 104   8.493  14.205   4.294
  835   2HB   ALA 104          2HB       ALA 104   6.870  14.564   3.651
  836   3HB   ALA 104          3HB       ALA 104   7.880  15.881   4.316
  837    H    ALA 105           H        ALA 105  10.702  13.888   3.016
  838    HA   ALA 105           HA       ALA 105  12.309  16.322   3.021
  839   1HB   ALA 105          1HB       ALA 105  12.203  15.064   5.128
  840   2HB   ALA 105          2HB       ALA 105  12.664  13.574   4.275
  841   3HB   ALA 105          3HB       ALA 105  13.838  14.902   4.433
  842    H    ASN 106           H        ASN 106  11.994  15.964   0.562
  843    HA   ASN 106           HA       ASN 106  14.155  14.299  -0.494
  844   1HB   ASN 106          1HB       ASN 106  11.339  13.896  -1.021
  845   2HB   ASN 106          2HB       ASN 106  12.068  14.627  -2.438
  846   2HD2  ASN 106          2HD2      ASN 106  14.168  13.662  -3.011
  847   1HD2  ASN 106          1HD2      ASN 106  14.299  11.938  -3.286

  No H/Q in entry =         847
  Start of MODEL    6
    1    H1   MET   1           H1       MET   1  -4.925  15.572  14.464
    2    H2   MET   1           H2       MET   1  -6.409  16.006  14.973
    3    H3   MET   1           H3       MET   1  -6.202  14.685  14.027
    4    HA   MET   1           HA       MET   1  -7.046  16.442  12.637
    5   1HB   MET   1          1HB       MET   1  -5.961  18.149  14.314
    6   2HB   MET   1          2HB       MET   1  -4.466  17.855  13.429
    7   1HG   MET   1          1HG       MET   1  -5.490  19.852  12.559
    8   2HG   MET   1          2HG       MET   1  -5.592  18.580  11.330
    9   1HE   MET   1          1HE       MET   1  -7.287  21.409  11.685
   10   2HE   MET   1          2HE       MET   1  -7.357  20.401  10.220
   11   3HE   MET   1          3HE       MET   1  -8.862  20.901  11.032
   12    H    GLU   2           H        GLU   2  -6.242  16.512  10.370
   13    HA   GLU   2           HA       GLU   2  -5.213  15.770   8.596
   14   1HB   GLU   2          1HB       GLU   2  -3.499  17.228   9.398
   15   2HB   GLU   2          2HB       GLU   2  -2.813  15.951  10.404
   16   1HG   GLU   2          1HG       GLU   2  -1.478  16.338   8.406
   17   2HG   GLU   2          2HG       GLU   2  -2.137  14.698   8.407
   18    H    LYS   3           H        LYS   3  -4.979  13.893   7.442
   19    HA   LYS   3           HA       LYS   3  -4.086  11.622   8.768
   20   1HB   LYS   3          1HB       LYS   3  -6.870  11.711   7.518
   21   2HB   LYS   3          2HB       LYS   3  -5.968  10.194   7.695
   22   1HG   LYS   3          1HG       LYS   3  -5.839  11.041  10.250
   23   2HG   LYS   3          2HG       LYS   3  -7.350  11.850   9.795
   24   1HD   LYS   3          1HD       LYS   3  -8.329   9.756   9.032
   25   2HD   LYS   3          2HD       LYS   3  -6.813   8.893   9.353
   26   1HE   LYS   3          1HE       LYS   3  -8.255   8.383  11.183
   27   2HE   LYS   3          2HE       LYS   3  -7.110   9.595  11.809
   28   1HZ   LYS   3          1HZ       LYS   3  -8.765  11.253  11.403
   29   2HZ   LYS   3          2HZ       LYS   3  -9.826  10.122  10.882
   30   3HZ   LYS   3          3HZ       LYS   3  -9.314  10.102  12.429
   31    H    LYS   4           H        LYS   4  -3.051  10.338   7.418
   32    HA   LYS   4           HA       LYS   4  -2.928  11.208   4.612
   33   1HB   LYS   4          1HB       LYS   4  -0.980  10.337   6.614
   34   2HB   LYS   4          2HB       LYS   4  -0.755   9.515   5.063
   35   1HG   LYS   4          1HG       LYS   4   0.592  11.491   5.083
   36   2HG   LYS   4          2HG       LYS   4  -0.723  11.753   3.929
   37   1HD   LYS   4          1HD       LYS   4  -1.940  13.005   5.787
   38   2HD   LYS   4          2HD       LYS   4  -0.432  12.916   6.713
   39   1HE   LYS   4          1HE       LYS   4  -0.453  15.044   5.647
   40   2HE   LYS   4          2HE       LYS   4   0.720  14.062   4.753
   41   1HZ   LYS   4          1HZ       LYS   4  -1.012  13.654   3.132
   42   2HZ   LYS   4          2HZ       LYS   4  -2.056  14.581   3.982
   43   3HZ   LYS   4          3HZ       LYS   4  -0.733  15.244   3.287
   44    H    HIS   5           H        HIS   5  -2.660   9.750   2.899
   45    HA   HIS   5           HA       HIS   5  -4.363   7.406   3.266
   46   1HB   HIS   5          1HB       HIS   5  -3.992   9.329   0.942
   47   2HB   HIS   5          2HB       HIS   5  -4.782   7.769   0.737
   48    HD2  HIS   5           HD2      HIS   5  -5.310  11.287   2.268
   49    HE1  HIS   5           HE1      HIS   5  -8.954   9.254   2.542
   50    HE2  HIS   5           HE2      HIS   5  -7.812  11.510   2.814
   51    H    ILE   6           H        ILE   6  -3.526   5.528   3.141
   52    HA   ILE   6           HA       ILE   6  -1.120   4.961   1.521
   53    HB   ILE   6           HB       ILE   6  -2.120   3.652   4.072
   54   1HG1  ILE   6          1HG1      ILE   6   0.393   5.321   3.705
   55   2HG1  ILE   6          2HG1      ILE   6  -1.129   5.950   4.337
   56   1HG2  ILE   6          1HG2      ILE   6   0.374   3.131   2.401
   57   2HG2  ILE   6          2HG2      ILE   6   0.006   2.375   3.971
   58   3HG2  ILE   6          3HG2      ILE   6  -1.032   2.064   2.565
   59   1HD1  ILE   6          1HD1      ILE   6   0.508   3.728   5.591
   60   2HD1  ILE   6          2HD1      ILE   6   0.430   5.424   6.127
   61   3HD1  ILE   6          3HD1      ILE   6  -1.019   4.397   6.233
   62    H    TYR   7           H        TYR   7  -1.856   4.035  -0.307
   63    HA   TYR   7           HA       TYR   7  -4.159   2.203  -0.080
   64   1HB   TYR   7          1HB       TYR   7  -3.261   3.809  -2.482
   65   2HB   TYR   7          2HB       TYR   7  -4.577   2.653  -2.480
   66    HD1  TYR   7           HD1      TYR   7  -5.566   3.819   0.507
   67    HD2  TYR   7           HD2      TYR   7  -4.730   5.362  -3.441
   68    HE1  TYR   7           HE1      TYR   7  -7.210   5.577   0.839
   69    HE2  TYR   7           HE2      TYR   7  -6.314   7.182  -3.056
   70    HH   TYR   7           HH       TYR   7  -7.575   8.226  -1.416
   71    H    LEU   8           H        LEU   8  -4.047   0.209  -0.633
   72    HA   LEU   8           HA       LEU   8  -1.530  -0.895  -1.705
   73   1HB   LEU   8          1HB       LEU   8  -3.623  -1.964   0.196
   74   2HB   LEU   8          2HB       LEU   8  -2.564  -3.065  -0.705
   75    HG   LEU   8           HG       LEU   8  -0.633  -1.596   0.381
   76   1HD1  LEU   8          1HD1      LEU   8  -2.992  -0.951   2.143
   77   2HD1  LEU   8          2HD1      LEU   8  -1.265  -0.665   2.556
   78   3HD1  LEU   8          3HD1      LEU   8  -2.016   0.201   1.187
   79   1HD2  LEU   8          1HD2      LEU   8  -2.400  -3.440   2.045
   80   2HD2  LEU   8          2HD2      LEU   8  -1.060  -3.953   0.985
   81   3HD2  LEU   8          3HD2      LEU   8  -0.729  -2.983   2.432
   82    H    PHE   9           H        PHE   9  -1.495  -2.105  -3.442
   83    HA   PHE   9           HA       PHE   9  -4.035  -2.740  -4.801
   84   1HB   PHE   9          1HB       PHE   9  -1.535  -1.436  -5.937
   85   2HB   PHE   9          2HB       PHE   9  -2.812  -2.113  -6.938
   86    HD1  PHE   9           HD1      PHE   9  -1.970   0.575  -4.507
   87    HD2  PHE   9           HD2      PHE   9  -4.936  -0.962  -7.217
   88    HE1  PHE   9           HE1      PHE   9  -2.964   2.811  -4.698
   89    HE2  PHE   9           HE2      PHE   9  -5.998   1.247  -7.289
   90    HZ   PHE   9           HZ       PHE   9  -4.818   3.178  -6.308
   91    H    SER  11           H        SER  11  -3.423  -8.048  -8.144
   92    HA   SER  11           HA       SER  11  -4.831  -6.788 -10.109
   93   1HB   SER  11          1HB       SER  11  -5.078  -9.726  -9.303
   94   2HB   SER  11          2HB       SER  11  -5.297  -9.040 -10.922
   95    HG   SER  11           HG       SER  11  -3.255  -9.224 -11.218
   96    H    ALA  12           H        ALA  12  -6.244  -8.701  -7.411
   97    HA   ALA  12           HA       ALA  12  -8.916  -7.844  -8.286
   98   1HB   ALA  12          1HB       ALA  12  -8.470 -10.229  -8.062
   99   2HB   ALA  12          2HB       ALA  12  -7.997 -10.014  -6.365
  100   3HB   ALA  12          3HB       ALA  12  -9.684  -9.704  -6.872
  101    H    GLY  13           H        GLY  13  -6.745  -7.302  -5.569
  102   1HA   GLY  13          1HA       GLY  13  -8.629  -5.550  -4.283
  103   2HA   GLY  13          2HA       GLY  13  -6.926  -5.825  -3.877
  104    H    MET  14           H        MET  14  -7.788  -8.921  -3.759
  105    HA   MET  14           HA       MET  14  -9.263  -8.654  -1.253
  106   1HB   MET  14          1HB       MET  14  -9.943 -11.004  -1.533
  107   2HB   MET  14          2HB       MET  14 -10.443  -9.950  -2.854
  108   1HG   MET  14          1HG       MET  14  -8.841 -10.859  -4.344
  109   2HG   MET  14          2HG       MET  14  -7.980 -11.683  -3.024
  110   1HE   MET  14          1HE       MET  14 -11.059 -11.701  -5.465
  111   2HE   MET  14          2HE       MET  14 -12.066 -13.008  -4.804
  112   3HE   MET  14          3HE       MET  14 -11.880 -11.488  -3.899
  113    H    SER  15           H        SER  15  -6.293 -10.367  -2.394
  114    HA   SER  15           HA       SER  15  -5.794 -11.816  -0.095
  115   1HB   SER  15          1HB       SER  15  -3.479 -11.898  -0.850
  116   2HB   SER  15          2HB       SER  15  -4.537 -12.020  -2.267
  117    HG   SER  15           HG       SER  15  -3.448 -10.314  -2.986
  118    H    THR  16           H        THR  16  -5.134  -8.421  -0.760
  119    HA   THR  16           HA       THR  16  -3.247  -7.802   1.227
  120    HB   THR  16           HB       THR  16  -4.172  -5.475   0.743
  121    HG1  THR  16           HG1      THR  16  -5.625  -5.486  -1.173
  122   1HG2  THR  16          1HG2      THR  16  -2.198  -6.371  -0.437
  123   2HG2  THR  16          2HG2      THR  16  -3.254  -7.143  -1.636
  124   3HG2  THR  16          3HG2      THR  16  -3.202  -5.366  -1.508
  125    H    SER  17           H        SER  17  -6.754  -8.160   1.390
  126    HA   SER  17           HA       SER  17  -7.575  -6.393   3.191
  127   1HB   SER  17          1HB       SER  17  -9.039  -7.941   2.076
  128   2HB   SER  17          2HB       SER  17  -8.348  -9.324   2.962
  129    HG   SER  17           HG       SER  17 -10.459  -8.261   3.734
  130    H    LEU  18           H        LEU  18  -6.188  -9.578   4.155
  131    HA   LEU  18           HA       LEU  18  -6.467  -9.068   6.920
  132   1HB   LEU  18          1HB       LEU  18  -6.188 -11.360   6.109
  133   2HB   LEU  18          2HB       LEU  18  -4.600 -10.979   5.423
  134    HG   LEU  18           HG       LEU  18  -3.803 -10.451   7.669
  135   1HD1  LEU  18          1HD1      LEU  18  -6.426 -11.742   8.553
  136   2HD1  LEU  18          2HD1      LEU  18  -5.045 -11.457   9.632
  137   3HD1  LEU  18          3HD1      LEU  18  -5.892 -10.079   8.897
  138   1HD2  LEU  18          1HD2      LEU  18  -4.846 -13.276   7.178
  139   2HD2  LEU  18          2HD2      LEU  18  -3.295 -12.608   6.614
  140   3HD2  LEU  18          3HD2      LEU  18  -3.578 -12.871   8.352
  141    H    LEU  19           H        LEU  19  -3.576  -8.578   4.817
  142    HA   LEU  19           HA       LEU  19  -1.914  -7.570   6.780
  143   1HB   LEU  19          1HB       LEU  19  -1.232  -8.154   4.450
  144   2HB   LEU  19          2HB       LEU  19  -2.176  -6.793   3.847
  145    HG   LEU  19           HG       LEU  19  -0.737  -5.250   5.168
  146   1HD1  LEU  19          1HD1      LEU  19   0.992  -7.716   5.582
  147   2HD1  LEU  19          2HD1      LEU  19   1.491  -6.041   5.910
  148   3HD1  LEU  19          3HD1      LEU  19   0.186  -6.769   6.863
  149   1HD2  LEU  19          1HD2      LEU  19   0.618  -7.046   3.122
  150   2HD2  LEU  19          2HD2      LEU  19  -0.351  -5.590   2.779
  151   3HD2  LEU  19          3HD2      LEU  19   1.213  -5.438   3.613
  152    H    VAL  20           H        VAL  20  -4.369  -5.833   4.812
  153    HA   VAL  20           HA       VAL  20  -3.853  -3.216   5.676
  154    HB   VAL  20           HB       VAL  20  -6.359  -4.608   4.748
  155   1HG1  VAL  20          1HG1      VAL  20  -5.839  -1.607   4.950
  156   2HG1  VAL  20          2HG1      VAL  20  -7.231  -2.355   4.132
  157   3HG1  VAL  20          3HG1      VAL  20  -7.024  -2.551   5.887
  158   1HG2  VAL  20          1HG2      VAL  20  -4.348  -2.815   3.319
  159   2HG2  VAL  20          2HG2      VAL  20  -4.562  -4.568   3.069
  160   3HG2  VAL  20          3HG2      VAL  20  -5.854  -3.435   2.589
  161    H    SER  21           H        SER  21  -6.350  -5.625   6.864
  162    HA   SER  21           HA       SER  21  -7.308  -4.268   8.870
  163   1HB   SER  21          1HB       SER  21  -6.704  -7.242   8.687
  164   2HB   SER  21          2HB       SER  21  -7.765  -6.564   9.951
  165    HG   SER  21           HG       SER  21  -9.049  -7.185   8.121
  166    H    LYS  22           H        LYS  22  -4.371  -6.347   9.040
  167    HA   LYS  22           HA       LYS  22  -3.797  -5.890  11.789
  168   1HB   LYS  22          1HB       LYS  22  -1.997  -6.722   9.474
  169   2HB   LYS  22          2HB       LYS  22  -1.459  -6.626  11.143
  170   1HG   LYS  22          1HG       LYS  22  -3.310  -8.325  11.748
  171   2HG   LYS  22          2HG       LYS  22  -3.480  -8.550   9.940
  172   1HD   LYS  22          1HD       LYS  22  -1.391  -9.183   9.684
  173   2HD   LYS  22          2HD       LYS  22  -0.933  -8.801  11.417
  174   1HE   LYS  22          1HE       LYS  22  -2.880 -10.993  10.519
  175   2HE   LYS  22          2HE       LYS  22  -1.210 -11.282  11.042
  176   1HZ   LYS  22          1HZ       LYS  22  -3.278 -10.025  12.680
  177   2HZ   LYS  22          2HZ       LYS  22  -2.801 -11.583  12.794
  178   3HZ   LYS  22          3HZ       LYS  22  -1.755 -10.382  13.148
  179    H    MET  23           H        MET  23  -2.723  -4.197   8.831
  180    HA   MET  23           HA       MET  23  -0.917  -2.434  10.078
  181   1HB   MET  23          1HB       MET  23  -2.612  -2.098   7.576
  182   2HB   MET  23          2HB       MET  23  -1.421  -0.919   8.147
  183   1HG   MET  23          1HG       MET  23   0.397  -2.496   7.833
  184   2HG   MET  23          2HG       MET  23  -0.732  -3.789   7.422
  185   1HE   MET  23          1HE       MET  23   1.220  -0.654   6.165
  186   2HE   MET  23          2HE       MET  23   0.429  -0.274   4.629
  187   3HE   MET  23          3HE       MET  23  -0.411   0.056   6.153
  188    H    ARG  24           H        ARG  24  -4.437  -2.140   9.403
  189    HA   ARG  24           HA       ARG  24  -4.815   0.399  10.537
  190   1HB   ARG  24          1HB       ARG  24  -6.613  -1.973   9.991
  191   2HB   ARG  24          2HB       ARG  24  -7.227  -0.625  10.944
  192   1HG   ARG  24          1HG       ARG  24  -6.622   0.934   9.089
  193   2HG   ARG  24          2HG       ARG  24  -6.160  -0.457   8.108
  194   1HD   ARG  24          1HD       ARG  24  -8.466  -1.293   8.104
  195   2HD   ARG  24          2HD       ARG  24  -8.925  -0.180   9.376
  196    HE   ARG  24           HE       ARG  24  -8.582   0.457   6.544
  197   1HH1  ARG  24          1HH1      ARG  24  -9.305   1.708   9.772
  198   2HH1  ARG  24          2HH1      ARG  24 -10.030   3.157   9.170
  199   1HH2  ARG  24          1HH2      ARG  24  -9.656   2.318   5.795
  200   2HH2  ARG  24          2HH2      ARG  24 -10.219   3.503   6.887
  201    H    ALA  25           H        ALA  25  -5.205  -2.864  12.083
  202    HA   ALA  25           HA       ALA  25  -5.848  -1.905  14.545
  203   1HB   ALA  25          1HB       ALA  25  -6.036  -4.258  13.814
  204   2HB   ALA  25          2HB       ALA  25  -4.270  -4.398  13.733
  205   3HB   ALA  25          3HB       ALA  25  -5.071  -4.202  15.312
  206    H    GLN  26           H        GLN  26  -2.576  -2.376  13.219
  207    HA   GLN  26           HA       GLN  26  -1.207  -1.670  15.664
  208   1HB   GLN  26          1HB       GLN  26  -0.330  -1.657  12.747
  209   2HB   GLN  26          2HB       GLN  26   0.763  -1.402  14.107
  210   1HG   GLN  26          1HG       GLN  26  -0.792  -3.972  13.644
  211   2HG   GLN  26          2HG       GLN  26   0.837  -3.684  13.060
  212   2HE2  GLN  26          2HE2      GLN  26   0.743  -5.906  14.510
  213   1HE2  GLN  26          1HE2      GLN  26   1.353  -5.564  16.115
  214    H    ALA  27           H        ALA  27  -2.432   0.179  12.885
  215    HA   ALA  27           HA       ALA  27  -1.217   2.666  13.552
  216   1HB   ALA  27          1HB       ALA  27  -2.274   2.152  11.311
  217   2HB   ALA  27          2HB       ALA  27  -3.830   1.989  12.141
  218   3HB   ALA  27          3HB       ALA  27  -3.018   3.571  12.076
  219    H    GLU  28           H        GLU  28  -4.303   1.078  14.527
  220    HA   GLU  28           HA       GLU  28  -5.290   3.207  16.073
  221   1HB   GLU  28          1HB       GLU  28  -5.670   0.204  15.988
  222   2HB   GLU  28          2HB       GLU  28  -6.608   1.229  17.105
  223   1HG   GLU  28          1HG       GLU  28  -7.559   2.450  15.202
  224   2HG   GLU  28          2HG       GLU  28  -6.539   1.534  14.065
  225    H    LYS  29           H        LYS  29  -3.354   0.316  16.887
  226    HA   LYS  29           HA       LYS  29  -3.164   0.609  19.635
  227   1HB   LYS  29          1HB       LYS  29  -2.497  -1.362  18.261
  228   2HB   LYS  29          2HB       LYS  29  -1.121  -0.461  17.654
  229   1HG   LYS  29          1HG       LYS  29  -0.285  -0.190  20.001
  230   2HG   LYS  29          2HG       LYS  29  -1.641  -1.172  20.578
  231   1HD   LYS  29          1HD       LYS  29  -0.824  -3.097  19.305
  232   2HD   LYS  29          2HD       LYS  29   0.513  -2.117  18.645
  233   1HE   LYS  29          1HE       LYS  29   1.357  -3.477  20.485
  234   2HE   LYS  29          2HE       LYS  29   1.350  -1.782  21.001
  235   1HZ   LYS  29          1HZ       LYS  29  -0.714  -3.752  21.625
  236   2HZ   LYS  29          2HZ       LYS  29   0.440  -3.209  22.653
  237   3HZ   LYS  29          3HZ       LYS  29  -0.710  -2.188  22.098
  238    H    TYR  30           H        TYR  30  -1.129   2.013  17.076
  239    HA   TYR  30           HA       TYR  30   0.413   3.508  19.084
  240   1HB   TYR  30          1HB       TYR  30   0.929   2.796  16.183
  241   2HB   TYR  30          2HB       TYR  30   1.972   3.866  17.111
  242    HD1  TYR  30           HD1      TYR  30   2.659   2.684  19.567
  243    HD2  TYR  30           HD2      TYR  30   1.462   0.619  15.976
  244    HE1  TYR  30           HE1      TYR  30   3.738   0.651  20.379
  245    HE2  TYR  30           HE2      TYR  30   2.491  -1.423  16.796
  246    HH   TYR  30           HH       TYR  30   3.792  -2.309  18.370
  247    H    GLU  31           H        GLU  31  -2.326   4.278  18.126
  248    HA   GLU  31           HA       GLU  31  -3.469   5.795  17.039
  249   1HB   GLU  31          1HB       GLU  31  -3.450   7.884  18.339
  250   2HB   GLU  31          2HB       GLU  31  -3.462   6.406  19.313
  251   1HG   GLU  31          1HG       GLU  31  -1.102   6.645  19.790
  252   2HG   GLU  31          2HG       GLU  31  -0.996   8.095  18.766
  253    H    VAL  32           H        VAL  32  -2.066   5.376  15.136
  254    HA   VAL  32           HA       VAL  32  -0.725   7.761  14.060
  255    HB   VAL  32           HB       VAL  32  -1.110   5.006  12.866
  256   1HG1  VAL  32          1HG1      VAL  32   0.839   7.258  12.188
  257   2HG1  VAL  32          2HG1      VAL  32   0.828   5.653  11.423
  258   3HG1  VAL  32          3HG1      VAL  32  -0.554   6.754  11.203
  259   1HG2  VAL  32          1HG2      VAL  32   1.293   6.064  14.393
  260   2HG2  VAL  32          2HG2      VAL  32   0.186   4.764  14.897
  261   3HG2  VAL  32          3HG2      VAL  32   1.232   4.531  13.479
  262    HA   PRO  33           HA       PRO  33  -4.692   8.385  12.210
  263   1HB   PRO  33          1HB       PRO  33  -4.431  11.058  11.496
  264   2HB   PRO  33          2HB       PRO  33  -4.772  10.545  13.163
  265   1HG   PRO  33          1HG       PRO  33  -2.084  11.264  11.895
  266   2HG   PRO  33          2HG       PRO  33  -2.724  11.738  13.495
  267   1HD   PRO  33          1HD       PRO  33  -0.962   9.664  13.169
  268   2HD   PRO  33          2HD       PRO  33  -2.198   9.666  14.453
  269    H    VAL  34           H        VAL  34  -4.110   6.879  10.663
  270    HA   VAL  34           HA       VAL  34  -3.868   8.018   7.943
  271    HB   VAL  34           HB       VAL  34  -2.673   5.995   7.282
  272   1HG1  VAL  34          1HG1      VAL  34  -1.295   7.804   9.280
  273   2HG1  VAL  34          2HG1      VAL  34  -0.462   6.736   8.123
  274   3HG1  VAL  34          3HG1      VAL  34  -1.484   8.065   7.531
  275   1HG2  VAL  34          1HG2      VAL  34  -2.304   5.540  10.273
  276   2HG2  VAL  34          2HG2      VAL  34  -3.121   4.454   9.129
  277   3HG2  VAL  34          3HG2      VAL  34  -1.378   4.725   8.992
  278    H    ILE  35           H        ILE  35  -4.763   6.980   6.303
  279    HA   ILE  35           HA       ILE  35  -6.940   5.070   6.906
  280    HB   ILE  35           HB       ILE  35  -6.725   7.218   4.768
  281   1HG1  ILE  35          1HG1      ILE  35  -8.803   6.837   6.935
  282   2HG1  ILE  35          2HG1      ILE  35  -7.356   7.828   7.165
  283   1HG2  ILE  35          1HG2      ILE  35  -7.776   5.185   3.847
  284   2HG2  ILE  35          2HG2      ILE  35  -8.912   5.143   5.214
  285   3HG2  ILE  35          3HG2      ILE  35  -8.979   6.483   4.043
  286   1HD1  ILE  35          1HD1      ILE  35  -8.107   9.317   5.302
  287   2HD1  ILE  35          2HD1      ILE  35  -9.564   8.313   5.132
  288   3HD1  ILE  35          3HD1      ILE  35  -9.288   9.225   6.629
  289    H    ILE  36           H        ILE  36  -6.259   3.156   6.496
  290    HA   ILE  36           HA       ILE  36  -4.564   2.676   4.123
  291    HB   ILE  36           HB       ILE  36  -5.011   0.905   6.562
  292   1HG1  ILE  36          1HG1      ILE  36  -2.473   2.481   6.043
  293   2HG1  ILE  36          2HG1      ILE  36  -3.854   3.201   6.883
  294   1HG2  ILE  36          1HG2      ILE  36  -2.969   0.789   4.296
  295   2HG2  ILE  36          2HG2      ILE  36  -2.988  -0.279   5.718
  296   3HG2  ILE  36          3HG2      ILE  36  -4.336  -0.306   4.556
  297   1HD1  ILE  36          1HD1      ILE  36  -3.751   1.437   8.605
  298   2HD1  ILE  36          2HD1      ILE  36  -2.378   0.693   7.737
  299   3HD1  ILE  36          3HD1      ILE  36  -2.214   2.312   8.470
  300    H    GLU  37           H        GLU  37  -5.444   1.764   2.455
  301    HA   GLU  37           HA       GLU  37  -7.964   0.269   2.632
  302   1HB   GLU  37          1HB       GLU  37  -8.075   2.891   2.461
  303   2HB   GLU  37          2HB       GLU  37  -7.694   2.605   0.744
  304   1HG   GLU  37          1HG       GLU  37 -10.103   2.776   0.974
  305   2HG   GLU  37          2HG       GLU  37  -9.721   1.099   0.636
  306    H    ALA  38           H        ALA  38  -8.314  -1.057   0.943
  307    HA   ALA  38           HA       ALA  38  -6.092  -1.386  -0.978
  308   1HB   ALA  38          1HB       ALA  38  -7.995  -3.468   0.186
  309   2HB   ALA  38          2HB       ALA  38  -6.705  -3.793  -0.992
  310   3HB   ALA  38          3HB       ALA  38  -6.292  -3.225   0.637
  311    H    PHE  39           H        PHE  39  -6.390  -1.759  -3.091
  312    HA   PHE  39           HA       PHE  39  -9.092  -1.822  -4.205
  313   1HB   PHE  39          1HB       PHE  39  -6.890   0.122  -4.986
  314   2HB   PHE  39          2HB       PHE  39  -8.420  -0.056  -5.839
  315    HD1  PHE  39           HD1      PHE  39 -10.600   0.417  -4.573
  316    HD2  PHE  39           HD2      PHE  39  -6.749   1.583  -3.056
  317    HE1  PHE  39           HE1      PHE  39 -11.659   1.997  -3.019
  318    HE2  PHE  39           HE2      PHE  39  -7.813   3.315  -1.695
  319    HZ   PHE  39           HZ       PHE  39 -10.258   3.564  -1.709
  320    HA   PRO  40           HA       PRO  40  -6.971  -4.320  -7.342
  321   1HB   PRO  40          1HB       PRO  40  -8.723  -3.888  -9.471
  322   2HB   PRO  40          2HB       PRO  40  -8.893  -5.198  -8.267
  323   1HG   PRO  40          1HG       PRO  40 -10.297  -2.566  -8.459
  324   2HG   PRO  40          2HG       PRO  40 -10.872  -4.147  -7.833
  325   1HD   PRO  40          1HD       PRO  40 -10.163  -2.114  -6.124
  326   2HD   PRO  40          2HD       PRO  40  -9.934  -3.825  -5.706
  327    H    GLU  41           H        GLU  41  -5.946  -4.132  -9.403
  328    HA   GLU  41           HA       GLU  41  -4.427  -1.769  -9.462
  329   1HB   GLU  41          1HB       GLU  41  -3.023  -2.922 -10.876
  330   2HB   GLU  41          2HB       GLU  41  -3.778  -4.250 -10.001
  331   1HG   GLU  41          1HG       GLU  41  -4.524  -3.359 -12.767
  332   2HG   GLU  41          2HG       GLU  41  -3.387  -4.669 -12.306
  333    H    THR  42           H        THR  42  -7.107  -2.823 -11.474
  334    HA   THR  42           HA       THR  42  -7.047  -1.098 -13.578
  335    HB   THR  42           HB       THR  42  -9.546  -1.158 -13.481
  336    HG1  THR  42           HG1      THR  42 -10.167  -2.837 -11.670
  337   1HG2  THR  42          1HG2      THR  42  -8.340  -2.966 -14.593
  338   2HG2  THR  42          2HG2      THR  42  -8.182  -3.848 -13.053
  339   3HG2  THR  42          3HG2      THR  42  -9.786  -3.599 -13.770
  340    H    LEU  43           H        LEU  43  -7.723  -0.266 -10.293
  341    HA   LEU  43           HA       LEU  43  -8.583   2.453 -11.029
  342   1HB   LEU  43          1HB       LEU  43  -8.604   0.887  -8.437
  343   2HB   LEU  43          2HB       LEU  43  -9.235   2.545  -8.582
  344    HG   LEU  43           HG       LEU  43 -10.305   0.150 -10.126
  345   1HD1  LEU  43          1HD1      LEU  43 -10.718  -0.106  -7.728
  346   2HD1  LEU  43          2HD1      LEU  43 -11.422   1.532  -7.664
  347   3HD1  LEU  43          3HD1      LEU  43 -12.214   0.255  -8.618
  348   1HD2  LEU  43          1HD2      LEU  43 -10.707   2.343 -11.243
  349   2HD2  LEU  43          2HD2      LEU  43 -12.205   1.611 -10.637
  350   3HD2  LEU  43          3HD2      LEU  43 -11.461   2.954  -9.751
  351    H    ALA  44           H        ALA  44  -5.707   1.215 -10.823
  352    HA   ALA  44           HA       ALA  44  -4.293   2.565  -8.873
  353   1HB   ALA  44          1HB       ALA  44  -3.388   1.799 -11.693
  354   2HB   ALA  44          2HB       ALA  44  -2.301   2.116 -10.318
  355   3HB   ALA  44          3HB       ALA  44  -3.386   0.708 -10.302
  356    H    GLY  45           H        GLY  45  -4.939   3.790 -12.229
  357   1HA   GLY  45          1HA       GLY  45  -4.917   5.896 -13.030
  358   2HA   GLY  45          2HA       GLY  45  -3.552   6.197 -11.923
  359    H    GLU  46           H        GLU  46  -6.980   5.398 -11.300
  360    HA   GLU  46           HA       GLU  46  -7.799   8.048 -10.878
  361   1HB   GLU  46          1HB       GLU  46  -9.167   6.135 -11.648
  362   2HB   GLU  46          2HB       GLU  46  -9.047   5.391 -10.059
  363   1HG   GLU  46          1HG       GLU  46 -10.271   8.136 -10.329
  364   2HG   GLU  46          2HG       GLU  46 -11.201   6.696 -10.725
  365    H    LYS  47           H        LYS  47  -7.483   5.355  -8.534
  366    HA   LYS  47           HA       LYS  47  -7.905   7.085  -6.286
  367   1HB   LYS  47          1HB       LYS  47  -6.899   4.211  -6.481
  368   2HB   LYS  47          2HB       LYS  47  -7.254   5.042  -4.964
  369   1HG   LYS  47          1HG       LYS  47  -9.328   4.563  -7.157
  370   2HG   LYS  47          2HG       LYS  47  -9.139   3.533  -5.741
  371   1HD   LYS  47          1HD       LYS  47  -9.647   5.486  -4.268
  372   2HD   LYS  47          2HD       LYS  47  -9.864   6.493  -5.704
  373   1HE   LYS  47          1HE       LYS  47 -11.648   4.924  -6.519
  374   2HE   LYS  47          2HE       LYS  47 -11.524   4.035  -4.978
  375   1HZ   LYS  47          1HZ       LYS  47 -11.915   6.145  -3.890
  376   2HZ   LYS  47          2HZ       LYS  47 -12.027   6.888  -5.347
  377   3HZ   LYS  47          3HZ       LYS  47 -13.160   5.786  -4.908
  378    H    GLY  48           H        GLY  48  -5.038   5.956  -7.958
  379   1HA   GLY  48          1HA       GLY  48  -2.862   6.340  -7.715
  380   2HA   GLY  48          2HA       GLY  48  -3.118   6.341  -5.946
  381    H    GLN  49           H        GLN  49  -4.801   8.600  -8.077
  382    HA   GLN  49           HA       GLN  49  -3.086  10.776  -7.973
  383   1HB   GLN  49          1HB       GLN  49  -6.063  10.447  -8.374
  384   2HB   GLN  49          2HB       GLN  49  -5.300  12.048  -8.420
  385   1HG   GLN  49          1HG       GLN  49  -3.838  11.343 -10.235
  386   2HG   GLN  49          2HG       GLN  49  -4.392   9.663 -10.069
  387   2HE2  GLN  49          2HE2      GLN  49  -5.338   9.363 -12.152
  388   1HE2  GLN  49          1HE2      GLN  49  -6.698  10.357 -12.657
  389    H    ASN  50           H        ASN  50  -5.421   9.541  -5.624
  390    HA   ASN  50           HA       ASN  50  -4.982  11.868  -3.877
  391   1HB   ASN  50          1HB       ASN  50  -7.249   9.846  -4.043
  392   2HB   ASN  50          2HB       ASN  50  -7.062  11.038  -2.743
  393   2HD2  ASN  50          2HD2      ASN  50  -8.300  10.621  -6.058
  394   1HD2  ASN  50          1HD2      ASN  50  -8.617  12.321  -6.243
  395    H    ALA  51           H        ALA  51  -3.397   9.182  -4.309
  396    HA   ALA  51           HA       ALA  51  -3.240   8.388  -1.496
  397   1HB   ALA  51          1HB       ALA  51  -3.097   6.651  -3.232
  398   2HB   ALA  51          2HB       ALA  51  -1.674   7.454  -3.946
  399   3HB   ALA  51          3HB       ALA  51  -1.577   6.771  -2.312
  400    H    ASP  52           H        ASP  52  -1.561   8.879  -0.132
  401    HA   ASP  52           HA       ASP  52   0.514  10.701  -1.048
  402   1HB   ASP  52          1HB       ASP  52  -0.013   9.507   1.706
  403   2HB   ASP  52          2HB       ASP  52   1.264  10.666   1.295
  404    H    VAL  53           H        VAL  53   0.193   7.216  -0.088
  405    HA   VAL  53           HA       VAL  53   2.461   6.852  -1.878
  406    HB   VAL  53           HB       VAL  53   3.382   6.764   0.373
  407   1HG1  VAL  53          1HG1      VAL  53   1.474   6.055   1.551
  408   2HG1  VAL  53          2HG1      VAL  53   1.607   4.401   0.874
  409   3HG1  VAL  53          3HG1      VAL  53   2.928   5.055   1.911
  410   1HG2  VAL  53          1HG2      VAL  53   4.367   5.371  -1.500
  411   2HG2  VAL  53          2HG2      VAL  53   4.527   4.567   0.094
  412   3HG2  VAL  53          3HG2      VAL  53   3.273   4.085  -1.083
  413    H    VAL  54           H        VAL  54   2.297   5.160  -3.192
  414    HA   VAL  54           HA       VAL  54  -0.059   3.379  -3.072
  415    HB   VAL  54           HB       VAL  54   1.854   4.150  -5.282
  416   1HG1  VAL  54          1HG1      VAL  54  -0.678   2.446  -5.415
  417   2HG1  VAL  54          2HG1      VAL  54   0.263   2.975  -6.832
  418   3HG1  VAL  54          3HG1      VAL  54   0.985   1.867  -5.640
  419   1HG2  VAL  54          1HG2      VAL  54   0.314   5.978  -4.721
  420   2HG2  VAL  54          2HG2      VAL  54  -0.115   5.296  -6.315
  421   3HG2  VAL  54          3HG2      VAL  54  -1.075   4.888  -4.861
  422    H    LEU  55           H        LEU  55   0.326   1.455  -2.325
  423    HA   LEU  55           HA       LEU  55   3.010   0.286  -2.616
  424   1HB   LEU  55          1HB       LEU  55   0.867   0.056  -0.477
  425   2HB   LEU  55          2HB       LEU  55   2.178  -1.129  -0.587
  426    HG   LEU  55           HG       LEU  55   2.848   1.837  -0.587
  427   1HD1  LEU  55          1HD1      LEU  55   1.260   1.421   1.343
  428   2HD1  LEU  55          2HD1      LEU  55   2.295   0.080   1.881
  429   3HD1  LEU  55          3HD1      LEU  55   2.914   1.750   1.908
  430   1HD2  LEU  55          1HD2      LEU  55   4.373  -0.533   0.453
  431   2HD2  LEU  55          2HD2      LEU  55   4.601   0.406  -1.071
  432   3HD2  LEU  55          3HD2      LEU  55   4.802   1.206   0.508
  433    H    LEU  56           H        LEU  56   3.304  -1.409  -3.707
  434    HA   LEU  56           HA       LEU  56   1.023  -2.861  -4.857
  435   1HB   LEU  56          1HB       LEU  56   3.963  -2.847  -5.653
  436   2HB   LEU  56          2HB       LEU  56   2.646  -3.522  -6.609
  437    HG   LEU  56           HG       LEU  56   2.933  -0.572  -5.935
  438   1HD1  LEU  56          1HD1      LEU  56   3.641  -2.079  -8.494
  439   2HD1  LEU  56          2HD1      LEU  56   3.628  -0.315  -8.296
  440   3HD1  LEU  56          3HD1      LEU  56   4.788  -1.292  -7.384
  441   1HD2  LEU  56          1HD2      LEU  56   1.158  -1.995  -7.958
  442   2HD2  LEU  56          2HD2      LEU  56   0.611  -1.233  -6.439
  443   3HD2  LEU  56          3HD2      LEU  56   1.296  -0.237  -7.744
  444    H    GLY  57           H        GLY  57   0.680  -4.930  -4.683
  445   1HA   GLY  57          1HA       GLY  57   0.922  -7.156  -4.427
  446   2HA   GLY  57          2HA       GLY  57   1.937  -6.775  -3.028
  447    HA   PRO  58           HA       PRO  58   5.752  -7.718  -5.110
  448   1HB   PRO  58          1HB       PRO  58   5.241 -10.559  -4.179
  449   2HB   PRO  58          2HB       PRO  58   6.708  -9.547  -4.063
  450   1HG   PRO  58          1HG       PRO  58   5.063  -9.886  -1.948
  451   2HG   PRO  58          2HG       PRO  58   5.931  -8.345  -2.237
  452   1HD   PRO  58          1HD       PRO  58   3.021  -9.011  -2.656
  453   2HD   PRO  58          2HD       PRO  58   3.789  -7.450  -2.241
  454    H    GLN  59           H        GLN  59   2.996  -9.933  -5.594
  455    HA   GLN  59           HA       GLN  59   3.737 -11.129  -7.973
  456   1HB   GLN  59          1HB       GLN  59   1.274 -11.491  -8.272
  457   2HB   GLN  59          2HB       GLN  59   1.925 -12.049  -6.744
  458   1HG   GLN  59          1HG       GLN  59   0.669  -9.315  -6.854
  459   2HG   GLN  59          2HG       GLN  59  -0.375 -10.740  -6.857
  460   2HE2  GLN  59          2HE2      GLN  59  -1.314 -10.412  -4.794
  461   1HE2  GLN  59          1HE2      GLN  59  -0.355 -10.238  -3.379
  462    H    ILE  60           H        ILE  60   2.505  -7.844  -7.588
  463    HA   ILE  60           HA       ILE  60   2.429  -7.710 -10.526
  464    HB   ILE  60           HB       ILE  60   0.984  -5.786 -10.385
  465   1HG1  ILE  60          1HG1      ILE  60   0.277  -6.411  -7.526
  466   2HG1  ILE  60          2HG1      ILE  60   1.628  -5.318  -7.882
  467   1HG2  ILE  60          1HG2      ILE  60  -0.115  -8.316  -9.104
  468   2HG2  ILE  60          2HG2      ILE  60  -1.104  -7.030  -9.826
  469   3HG2  ILE  60          3HG2      ILE  60   0.023  -7.966 -10.835
  470   1HD1  ILE  60          1HD1      ILE  60  -1.215  -4.947  -8.897
  471   2HD1  ILE  60          2HD1      ILE  60  -0.468  -4.061  -7.542
  472   3HD1  ILE  60          3HD1      ILE  60   0.159  -3.864  -9.197
  473    H    ALA  61           H        ALA  61   4.614  -7.387  -8.452
  474    HA   ALA  61           HA       ALA  61   5.474  -4.719  -8.402
  475   1HB   ALA  61          1HB       ALA  61   7.687  -5.761  -7.831
  476   2HB   ALA  61          2HB       ALA  61   6.335  -6.523  -6.948
  477   3HB   ALA  61          3HB       ALA  61   7.038  -7.338  -8.363
  478    H    TYR  62           H        TYR  62   5.834  -7.184 -10.934
  479    HA   TYR  62           HA       TYR  62   7.787  -5.862 -12.454
  480   1HB   TYR  62          1HB       TYR  62   7.143  -7.239 -14.257
  481   2HB   TYR  62          2HB       TYR  62   7.002  -8.200 -12.789
  482    HD1  TYR  62           HD1      TYR  62   5.329  -6.922 -15.706
  483    HD2  TYR  62           HD2      TYR  62   4.689  -8.768 -11.872
  484    HE1  TYR  62           HE1      TYR  62   2.981  -7.419 -16.315
  485    HE2  TYR  62           HE2      TYR  62   2.289  -8.998 -12.386
  486    HH   TYR  62           HH       TYR  62   0.689  -8.684 -13.936
  487    H    MET  63           H        MET  63   4.359  -5.006 -12.054
  488    HA   MET  63           HA       MET  63   4.444  -3.172 -14.270
  489   1HB   MET  63          1HB       MET  63   2.498  -4.075 -12.197
  490   2HB   MET  63          2HB       MET  63   2.158  -2.562 -13.090
  491   1HG   MET  63          1HG       MET  63   2.630  -4.032 -15.203
  492   2HG   MET  63          2HG       MET  63   2.401  -5.400 -14.105
  493   1HE   MET  63          1HE       MET  63   0.068  -6.033 -12.983
  494   2HE   MET  63          2HE       MET  63   0.054  -4.442 -12.172
  495   3HE   MET  63          3HE       MET  63  -1.385  -5.002 -13.058
  496    H    LEU  64           H        LEU  64   5.965  -2.886 -11.282
  497    HA   LEU  64           HA       LEU  64   5.288  -0.385 -10.408
  498   1HB   LEU  64          1HB       LEU  64   6.795  -1.830  -9.221
  499   2HB   LEU  64          2HB       LEU  64   7.964  -1.831 -10.517
  500    HG   LEU  64           HG       LEU  64   7.964   0.733 -10.272
  501   1HD1  LEU  64          1HD1      LEU  64   6.058   0.862  -8.680
  502   2HD1  LEU  64          2HD1      LEU  64   7.014  -0.041  -7.469
  503   3HD1  LEU  64          3HD1      LEU  64   7.524   1.580  -7.971
  504   1HD2  LEU  64          1HD2      LEU  64   9.335  -1.021  -8.213
  505   2HD2  LEU  64          2HD2      LEU  64   9.924  -0.524  -9.832
  506   3HD2  LEU  64          3HD2      LEU  64   9.717   0.690  -8.553
  507    HA   PRO  65           HA       PRO  65   8.151   1.801 -13.563
  508   1HB   PRO  65          1HB       PRO  65   8.157   0.597 -16.091
  509   2HB   PRO  65          2HB       PRO  65   9.534   0.622 -14.947
  510   1HG   PRO  65          1HG       PRO  65   7.452  -1.515 -15.475
  511   2HG   PRO  65          2HG       PRO  65   9.189  -1.722 -15.124
  512   1HD   PRO  65          1HD       PRO  65   7.279  -2.093 -13.161
  513   2HD   PRO  65          2HD       PRO  65   8.846  -1.357 -12.742
  514    H    GLU  66           H        GLU  66   5.313  -0.116 -14.565
  515    HA   GLU  66           HA       GLU  66   4.418   1.793 -16.516
  516   1HB   GLU  66          1HB       GLU  66   4.033  -0.796 -16.349
  517   2HB   GLU  66          2HB       GLU  66   2.791  -0.393 -15.159
  518   1HG   GLU  66          1HG       GLU  66   1.686  -0.680 -17.248
  519   2HG   GLU  66          2HG       GLU  66   1.698   1.065 -16.936
  520    H    ILE  67           H        ILE  67   3.483   0.906 -13.195
  521    HA   ILE  67           HA       ILE  67   1.365   2.847 -12.959
  522    HB   ILE  67           HB       ILE  67   2.822   1.015 -11.104
  523   1HG1  ILE  67          1HG1      ILE  67   0.014   1.109 -12.280
  524   2HG1  ILE  67          2HG1      ILE  67   1.345   0.155 -12.908
  525   1HG2  ILE  67          1HG2      ILE  67   0.494   2.877 -10.527
  526   2HG2  ILE  67          2HG2      ILE  67   0.996   1.553  -9.425
  527   3HG2  ILE  67          3HG2      ILE  67   2.101   2.909  -9.763
  528   1HD1  ILE  67          1HD1      ILE  67   1.312  -1.239 -10.819
  529   2HD1  ILE  67          2HD1      ILE  67  -0.046  -0.238 -10.230
  530   3HD1  ILE  67          3HD1      ILE  67  -0.250  -1.243 -11.667
  531    H    GLN  68           H        GLN  68   4.819   2.759 -12.003
  532    HA   GLN  68           HA       GLN  68   5.037   5.206 -10.736
  533   1HB   GLN  68          1HB       GLN  68   6.757   3.302 -11.223
  534   2HB   GLN  68          2HB       GLN  68   7.010   4.130 -12.777
  535   1HG   GLN  68          1HG       GLN  68   8.632   5.227 -11.627
  536   2HG   GLN  68          2HG       GLN  68   7.252   6.223 -11.075
  537   2HE2  GLN  68          2HE2      GLN  68   7.221   6.533  -8.850
  538   1HE2  GLN  68          1HE2      GLN  68   8.033   5.382  -7.771
  539    H    ARG  69           H        ARG  69   5.068   4.405 -14.257
  540    HA   ARG  69           HA       ARG  69   5.693   6.896 -15.250
  541   1HB   ARG  69          1HB       ARG  69   5.788   4.594 -16.188
  542   2HB   ARG  69          2HB       ARG  69   4.053   4.679 -16.501
  543   1HG   ARG  69          1HG       ARG  69   5.853   6.852 -17.573
  544   2HG   ARG  69          2HG       ARG  69   5.774   5.297 -18.432
  545   1HD   ARG  69          1HD       ARG  69   3.413   5.550 -18.823
  546   2HD   ARG  69          2HD       ARG  69   3.342   6.995 -17.786
  547    HE   ARG  69           HE       ARG  69   5.258   7.681 -19.533
  548   1HH1  ARG  69          1HH1      ARG  69   2.093   6.259 -20.263
  549   2HH1  ARG  69          2HH1      ARG  69   1.958   7.018 -21.806
  550   1HH2  ARG  69          1HH2      ARG  69   5.052   8.685 -21.584
  551   2HH2  ARG  69          2HH2      ARG  69   3.657   8.392 -22.556
  552    H    LEU  70           H        LEU  70   2.581   5.266 -14.569
  553    HA   LEU  70           HA       LEU  70   0.724   7.186 -15.457
  554   1HB   LEU  70          1HB       LEU  70   0.860   4.904 -13.549
  555   2HB   LEU  70          2HB       LEU  70  -0.620   5.948 -13.520
  556    HG   LEU  70           HG       LEU  70   0.625   4.537 -15.858
  557   1HD1  LEU  70          1HD1      LEU  70  -1.688   3.633 -14.075
  558   2HD1  LEU  70          2HD1      LEU  70  -1.305   2.876 -15.628
  559   3HD1  LEU  70          3HD1      LEU  70  -0.133   2.794 -14.305
  560   1HD2  LEU  70          1HD2      LEU  70  -1.029   6.417 -16.448
  561   2HD2  LEU  70          2HD2      LEU  70  -1.711   4.832 -16.898
  562   3HD2  LEU  70          3HD2      LEU  70  -2.224   5.618 -15.401
  563    H    LEU  71           H        LEU  71   2.289   6.662 -12.300
  564    HA   LEU  71           HA       LEU  71   1.247   9.254 -11.313
  565   1HB   LEU  71          1HB       LEU  71   1.915   6.735  -9.778
  566   2HB   LEU  71          2HB       LEU  71   1.216   8.211  -9.103
  567    HG   LEU  71           HG       LEU  71  -0.185   6.647 -11.281
  568   1HD1  LEU  71          1HD1      LEU  71  -0.417   6.213  -8.274
  569   2HD1  LEU  71          2HD1      LEU  71  -1.469   5.483  -9.523
  570   3HD1  LEU  71          3HD1      LEU  71   0.248   5.067  -9.456
  571   1HD2  LEU  71          1HD2      LEU  71  -1.022   8.912 -10.860
  572   2HD2  LEU  71          2HD2      LEU  71  -2.213   7.684 -10.404
  573   3HD2  LEU  71          3HD2      LEU  71  -1.296   8.528  -9.146
  574    HA   PRO  72           HA       PRO  72   5.799   9.270 -11.008
  575   1HB   PRO  72          1HB       PRO  72   6.423  11.523 -12.487
  576   2HB   PRO  72          2HB       PRO  72   6.148   9.936 -13.265
  577   1HG   PRO  72          1HG       PRO  72   4.207  12.261 -12.920
  578   2HG   PRO  72          2HG       PRO  72   4.505  11.277 -14.371
  579   1HD   PRO  72          1HD       PRO  72   2.384  10.735 -12.673
  580   2HD   PRO  72          2HD       PRO  72   3.225   9.446 -13.545
  581    H    ASN  73           H        ASN  73   3.369  11.438 -10.110
  582    HA   ASN  73           HA       ASN  73   5.272  12.917  -8.418
  583   1HB   ASN  73          1HB       ASN  73   2.388  13.521  -9.161
  584   2HB   ASN  73          2HB       ASN  73   3.272  14.361  -7.881
  585   2HD2  ASN  73          2HD2      ASN  73   2.623  14.600 -11.302
  586   1HD2  ASN  73          1HD2      ASN  73   4.021  15.620 -11.566
  587    H    LYS  74           H        LYS  74   4.232  10.048  -7.960
  588    HA   LYS  74           HA       LYS  74   3.390  10.464  -5.200
  589   1HB   LYS  74          1HB       LYS  74   2.286   8.432  -7.160
  590   2HB   LYS  74          2HB       LYS  74   1.851   8.500  -5.445
  591   1HG   LYS  74          1HG       LYS  74   1.160  10.615  -7.530
  592   2HG   LYS  74          2HG       LYS  74   0.042   9.422  -6.849
  593   1HD   LYS  74          1HD       LYS  74   0.398  10.431  -4.595
  594   2HD   LYS  74          2HD       LYS  74   1.432  11.663  -5.338
  595   1HE   LYS  74          1HE       LYS  74  -0.471  12.439  -6.748
  596   2HE   LYS  74          2HE       LYS  74  -1.504  11.197  -6.034
  597   1HZ   LYS  74          1HZ       LYS  74  -1.078  12.142  -3.906
  598   2HZ   LYS  74          2HZ       LYS  74  -0.181  13.343  -4.559
  599   3HZ   LYS  74          3HZ       LYS  74  -1.782  13.215  -4.910
  600    HA   PRO  75           HA       PRO  75   6.730   7.423  -4.973
  601   1HB   PRO  75          1HB       PRO  75   6.603   6.863  -2.310
  602   2HB   PRO  75          2HB       PRO  75   7.388   8.326  -2.959
  603   1HG   PRO  75          1HG       PRO  75   4.562   8.048  -1.819
  604   2HG   PRO  75          2HG       PRO  75   5.753   9.334  -1.503
  605   1HD   PRO  75          1HD       PRO  75   3.716   9.636  -3.302
  606   2HD   PRO  75          2HD       PRO  75   5.308  10.383  -3.614
  607    H    VAL  76           H        VAL  76   6.470   5.650  -5.845
  608    HA   VAL  76           HA       VAL  76   4.340   3.873  -4.894
  609    HB   VAL  76           HB       VAL  76   5.609   4.024  -7.692
  610   1HG1  VAL  76          1HG1      VAL  76   4.732   1.802  -7.117
  611   2HG1  VAL  76          2HG1      VAL  76   3.158   2.520  -6.698
  612   3HG1  VAL  76          3HG1      VAL  76   3.738   2.562  -8.391
  613   1HG2  VAL  76          1HG2      VAL  76   4.252   6.027  -7.315
  614   2HG2  VAL  76          2HG2      VAL  76   3.541   4.953  -8.544
  615   3HG2  VAL  76          3HG2      VAL  76   2.853   4.999  -6.895
  616    H    GLU  77           H        GLU  77   4.988   2.248  -3.864
  617    HA   GLU  77           HA       GLU  77   7.646   1.060  -4.344
  618   1HB   GLU  77          1HB       GLU  77   6.264   1.836  -1.741
  619   2HB   GLU  77          2HB       GLU  77   7.578   0.657  -1.780
  620   1HG   GLU  77          1HG       GLU  77   7.932   3.468  -2.866
  621   2HG   GLU  77          2HG       GLU  77   8.119   3.107  -1.140
  622    H    VAL  78           H        VAL  78   7.889  -1.065  -3.850
  623    HA   VAL  78           HA       VAL  78   5.439  -2.689  -3.861
  624    HB   VAL  78           HB       VAL  78   8.348  -3.302  -4.316
  625   1HG1  VAL  78          1HG1      VAL  78   5.884  -5.116  -4.707
  626   2HG1  VAL  78          2HG1      VAL  78   7.529  -5.542  -5.195
  627   3HG1  VAL  78          3HG1      VAL  78   7.135  -5.342  -3.478
  628   1HG2  VAL  78          1HG2      VAL  78   7.446  -1.987  -6.095
  629   2HG2  VAL  78          2HG2      VAL  78   7.742  -3.649  -6.659
  630   3HG2  VAL  78          3HG2      VAL  78   6.080  -3.114  -6.320
  631    H    ILE  79           H        ILE  79   4.905  -4.026  -2.154
  632    HA   ILE  79           HA       ILE  79   6.185  -3.720   0.439
  633    HB   ILE  79           HB       ILE  79   4.084  -5.675  -0.543
  634   1HG1  ILE  79          1HG1      ILE  79   3.478  -3.256   1.162
  635   2HG1  ILE  79          2HG1      ILE  79   3.666  -3.039  -0.570
  636   1HG2  ILE  79          1HG2      ILE  79   4.916  -4.867   2.273
  637   2HG2  ILE  79          2HG2      ILE  79   3.522  -5.906   1.861
  638   3HG2  ILE  79          3HG2      ILE  79   5.184  -6.422   1.476
  639   1HD1  ILE  79          1HD1      ILE  79   1.716  -4.972   0.768
  640   2HD1  ILE  79          2HD1      ILE  79   1.275  -3.399   0.089
  641   3HD1  ILE  79          3HD1      ILE  79   1.857  -4.689  -0.982
  642    H    ASP  80           H        ASP  80   7.872  -4.848   1.141
  643    HA   ASP  80           HA       ASP  80   9.263  -6.798  -0.245
  644   1HB   ASP  80          1HB       ASP  80  10.266  -5.618   1.598
  645   2HB   ASP  80          2HB       ASP  80   9.050  -6.241   2.729
  646    H    SER  81           H        SER  81   9.051  -8.784  -0.709
  647    HA   SER  81           HA       SER  81   6.748 -10.143  -0.433
  648   1HB   SER  81          1HB       SER  81   8.072 -12.158  -1.238
  649   2HB   SER  81          2HB       SER  81   8.313 -10.669  -2.180
  650    HG   SER  81           HG       SER  81  10.358 -11.636  -1.722
  651    H    LEU  82           H        LEU  82   9.504 -10.238   1.798
  652    HA   LEU  82           HA       LEU  82   8.748 -12.651   3.153
  653   1HB   LEU  82          1HB       LEU  82  11.007 -12.123   2.905
  654   2HB   LEU  82          2HB       LEU  82  10.801 -10.478   3.515
  655    HG   LEU  82           HG       LEU  82  10.166 -11.455   5.730
  656   1HD1  LEU  82          1HD1      LEU  82  11.167 -14.048   4.475
  657   2HD1  LEU  82          2HD1      LEU  82  10.883 -13.817   6.214
  658   3HD1  LEU  82          3HD1      LEU  82   9.520 -13.732   5.084
  659   1HD2  LEU  82          1HD2      LEU  82  12.953 -12.147   4.716
  660   2HD2  LEU  82          2HD2      LEU  82  12.428 -10.613   5.469
  661   3HD2  LEU  82          3HD2      LEU  82  12.463 -12.109   6.420
  662    H    LEU  83           H        LEU  83   8.694  -9.109   4.017
  663    HA   LEU  83           HA       LEU  83   7.319  -9.222   6.387
  664   1HB   LEU  83          1HB       LEU  83   7.202  -7.199   4.149
  665   2HB   LEU  83          2HB       LEU  83   6.439  -6.950   5.723
  666    HG   LEU  83           HG       LEU  83   9.424  -7.354   5.240
  667   1HD1  LEU  83          1HD1      LEU  83   8.575  -5.132   4.495
  668   2HD1  LEU  83          2HD1      LEU  83   7.814  -4.898   6.076
  669   3HD1  LEU  83          3HD1      LEU  83   9.583  -4.996   5.952
  670   1HD2  LEU  83          1HD2      LEU  83   8.694  -8.276   7.398
  671   2HD2  LEU  83          2HD2      LEU  83   9.747  -6.851   7.571
  672   3HD2  LEU  83          3HD2      LEU  83   7.991  -6.692   7.833
  673    H    TYR  84           H        TYR  84   6.093  -9.152   3.088
  674    HA   TYR  84           HA       TYR  84   3.320  -9.144   3.510
  675   1HB   TYR  84          1HB       TYR  84   4.633  -8.717   1.388
  676   2HB   TYR  84          2HB       TYR  84   4.868 -10.453   1.257
  677    HD1  TYR  84           HD1      TYR  84   2.341  -7.739   1.165
  678    HD2  TYR  84           HD2      TYR  84   3.140 -11.898   0.408
  679    HE1  TYR  84           HE1      TYR  84   0.229  -7.925  -0.132
  680    HE2  TYR  84           HE2      TYR  84   1.136 -12.016  -1.029
  681    HH   TYR  84           HH       TYR  84  -0.953 -10.890  -1.341
  682    H    GLY  85           H        GLY  85   5.575 -11.943   3.068
  683   1HA   GLY  85          1HA       GLY  85   5.480 -14.093   3.701
  684   2HA   GLY  85          2HA       GLY  85   3.740 -14.029   3.375
  685    H    LYS  86           H        LYS  86   5.715 -12.282   5.784
  686    HA   LYS  86           HA       LYS  86   4.962 -13.770   8.082
  687   1HB   LYS  86          1HB       LYS  86   6.170 -11.054   7.519
  688   2HB   LYS  86          2HB       LYS  86   5.824 -11.591   9.185
  689   1HG   LYS  86          1HG       LYS  86   7.367 -13.436   8.965
  690   2HG   LYS  86          2HG       LYS  86   7.645 -13.058   7.254
  691   1HD   LYS  86          1HD       LYS  86   9.500 -12.245   8.594
  692   2HD   LYS  86          2HD       LYS  86   8.613 -10.881   7.883
  693   1HE   LYS  86          1HE       LYS  86   7.555 -10.375   9.985
  694   2HE   LYS  86          2HE       LYS  86   8.247 -11.841  10.742
  695   1HZ   LYS  86          1HZ       LYS  86   9.746  -9.549   9.691
  696   2HZ   LYS  86          2HZ       LYS  86   9.445  -9.853  11.258
  697   3HZ   LYS  86          3HZ       LYS  86  10.394 -10.879  10.401
  698    H    VAL  87           H        VAL  87   3.314 -11.404   6.230
  699    HA   VAL  87           HA       VAL  87   2.166  -9.645   6.558
  700    HB   VAL  87           HB       VAL  87  -0.082 -10.014   7.786
  701   1HG1  VAL  87          1HG1      VAL  87   0.766 -11.615   5.355
  702   2HG1  VAL  87          2HG1      VAL  87  -0.920 -11.302   5.848
  703   3HG1  VAL  87          3HG1      VAL  87   0.132  -9.946   5.399
  704   1HG2  VAL  87          1HG2      VAL  87   0.912 -12.875   7.663
  705   2HG2  VAL  87          2HG2      VAL  87   0.512 -11.960   9.133
  706   3HG2  VAL  87          3HG2      VAL  87  -0.773 -12.370   7.962
  707    H    ASP  88           H        ASP  88   4.000  -8.909   7.772
  708    HA   ASP  88           HA       ASP  88   3.571  -8.289  10.600
  709   1HB   ASP  88          1HB       ASP  88   5.763  -9.120   9.654
  710   2HB   ASP  88          2HB       ASP  88   5.895  -7.587   8.771
  711    H    GLY  89           H        GLY  89   1.837  -7.032  10.415
  712   1HA   GLY  89          1HA       GLY  89   0.664  -5.061  10.407
  713   2HA   GLY  89          2HA       GLY  89   1.290  -4.968   8.738
  714    H    LEU  90           H        LEU  90   3.475  -4.820  11.515
  715    HA   LEU  90           HA       LEU  90   3.299  -1.933  11.811
  716   1HB   LEU  90          1HB       LEU  90   3.560  -3.451  13.757
  717   2HB   LEU  90          2HB       LEU  90   5.087  -4.027  13.078
  718    HG   LEU  90           HG       LEU  90   6.005  -1.758  13.177
  719   1HD1  LEU  90          1HD1      LEU  90   3.949  -0.417  13.089
  720   2HD1  LEU  90          2HD1      LEU  90   3.454  -1.030  14.685
  721   3HD1  LEU  90          3HD1      LEU  90   4.902  -0.007  14.533
  722   1HD2  LEU  90          1HD2      LEU  90   6.443  -3.321  15.006
  723   2HD2  LEU  90          2HD2      LEU  90   6.294  -1.665  15.634
  724   3HD2  LEU  90          3HD2      LEU  90   4.948  -2.814  15.832
  725    H    GLY  91           H        GLY  91   5.682  -4.379  10.693
  726   1HA   GLY  91          1HA       GLY  91   7.315  -4.345   9.167
  727   2HA   GLY  91          2HA       GLY  91   7.818  -2.837   9.931
  728    H    VAL  92           H        VAL  92   4.966  -3.777   7.974
  729    HA   VAL  92           HA       VAL  92   5.772  -2.351   5.636
  730    HB   VAL  92           HB       VAL  92   3.063  -3.436   6.502
  731   1HG1  VAL  92          1HG1      VAL  92   4.124  -2.728   3.729
  732   2HG1  VAL  92          2HG1      VAL  92   2.575  -3.544   4.035
  733   3HG1  VAL  92          3HG1      VAL  92   2.824  -1.873   4.592
  734   1HG2  VAL  92          1HG2      VAL  92   5.229  -4.702   4.789
  735   2HG2  VAL  92          2HG2      VAL  92   4.700  -5.251   6.401
  736   3HG2  VAL  92          3HG2      VAL  92   3.595  -5.368   5.012
  737    H    LEU  93           H        LEU  93   3.569  -1.594   8.353
  738    HA   LEU  93           HA       LEU  93   2.522   0.787   7.359
  739   1HB   LEU  93          1HB       LEU  93   2.408  -0.663   9.748
  740   2HB   LEU  93          2HB       LEU  93   3.233   0.830  10.218
  741    HG   LEU  93           HG       LEU  93   0.483   0.620   8.935
  742   1HD1  LEU  93          1HD1      LEU  93   0.583  -0.083  11.283
  743   2HD1  LEU  93          2HD1      LEU  93   1.387   1.444  11.721
  744   3HD1  LEU  93          3HD1      LEU  93  -0.277   1.469  11.111
  745   1HD2  LEU  93          1HD2      LEU  93   1.629   2.716   8.220
  746   2HD2  LEU  93          2HD2      LEU  93   0.251   3.014   9.305
  747   3HD2  LEU  93          3HD2      LEU  93   1.914   3.120   9.931
  748    H    LYS  94           H        LYS  94   5.499   0.188   9.269
  749    HA   LYS  94           HA       LYS  94   6.309   2.859   9.540
  750   1HB   LYS  94          1HB       LYS  94   7.644   0.146   9.620
  751   2HB   LYS  94          2HB       LYS  94   8.670   1.576   9.637
  752   1HG   LYS  94          1HG       LYS  94   7.627   2.432  11.649
  753   2HG   LYS  94          2HG       LYS  94   6.366   1.189  11.587
  754   1HD   LYS  94          1HD       LYS  94   7.854  -0.525  12.245
  755   2HD   LYS  94          2HD       LYS  94   9.289   0.417  11.803
  756   1HE   LYS  94          1HE       LYS  94   7.458   1.214  14.110
  757   2HE   LYS  94          2HE       LYS  94   8.865   0.164  14.307
  758   1HZ   LYS  94          1HZ       LYS  94   8.933   2.857  13.174
  759   2HZ   LYS  94          2HZ       LYS  94   9.391   2.444  14.689
  760   3HZ   LYS  94          3HZ       LYS  94  10.216   1.874  13.402
  761    H    ALA  95           H        ALA  95   6.999   0.456   6.984
  762    HA   ALA  95           HA       ALA  95   8.859   2.043   5.576
  763   1HB   ALA  95          1HB       ALA  95   6.963  -0.222   4.759
  764   2HB   ALA  95          2HB       ALA  95   8.623  -0.429   5.346
  765   3HB   ALA  95          3HB       ALA  95   8.332   0.322   3.752
  766    H    ALA  96           H        ALA  96   5.355   1.611   5.348
  767    HA   ALA  96           HA       ALA  96   4.851   3.221   3.142
  768   1HB   ALA  96          1HB       ALA  96   3.226   1.642   4.165
  769   2HB   ALA  96          2HB       ALA  96   3.185   2.635   5.635
  770   3HB   ALA  96          3HB       ALA  96   2.504   3.273   4.120
  771    H    VAL  97           H        VAL  97   5.054   4.086   6.638
  772    HA   VAL  97           HA       VAL  97   4.221   6.775   6.262
  773    HB   VAL  97           HB       VAL  97   4.482   4.880   8.195
  774   1HG1  VAL  97          1HG1      VAL  97   6.777   5.272   8.680
  775   2HG1  VAL  97          2HG1      VAL  97   6.468   6.997   8.971
  776   3HG1  VAL  97          3HG1      VAL  97   5.773   5.779  10.082
  777   1HG2  VAL  97          1HG2      VAL  97   4.062   7.898   8.524
  778   2HG2  VAL  97          2HG2      VAL  97   2.796   6.706   8.143
  779   3HG2  VAL  97          3HG2      VAL  97   3.582   6.697   9.739
  780    H    ALA  98           H        ALA  98   7.238   5.070   6.123
  781    HA   ALA  98           HA       ALA  98   9.040   7.255   6.387
  782   1HB   ALA  98          1HB       ALA  98  10.651   5.549   5.429
  783   2HB   ALA  98          2HB       ALA  98   9.667   4.889   6.774
  784   3HB   ALA  98          3HB       ALA  98   9.224   4.526   5.089
  785    H    ALA  99           H        ALA  99   7.443   5.493   3.665
  786    HA   ALA  99           HA       ALA  99   8.572   6.946   1.581
  787   1HB   ALA  99          1HB       ALA  99   7.564   4.733   1.365
  788   2HB   ALA  99          2HB       ALA  99   6.684   5.859   0.294
  789   3HB   ALA  99          3HB       ALA  99   5.984   5.370   1.865
  790    H    ILE 100           H        ILE 100   5.554   7.491   3.470
  791    HA   ILE 100           HA       ILE 100   4.562   9.711   2.050
  792    HB   ILE 100           HB       ILE 100   4.458   8.889   4.943
  793   1HG1  ILE 100          1HG1      ILE 100   2.283   8.692   2.832
  794   2HG1  ILE 100          2HG1      ILE 100   3.417   7.381   3.145
  795   1HG2  ILE 100          1HG2      ILE 100   2.835  11.010   3.479
  796   2HG2  ILE 100          2HG2      ILE 100   2.454  10.415   5.121
  797   3HG2  ILE 100          3HG2      ILE 100   3.990  11.266   4.806
  798   1HD1  ILE 100          1HD1      ILE 100   2.586   7.241   5.496
  799   2HD1  ILE 100          2HD1      ILE 100   1.440   8.549   5.142
  800   3HD1  ILE 100          3HD1      ILE 100   1.299   6.992   4.301
  801    H    LYS 101           H        LYS 101   6.806   9.485   4.827
  802    HA   LYS 101           HA       LYS 101   7.517  12.179   4.937
  803   1HB   LYS 101          1HB       LYS 101   8.797   9.602   5.756
  804   2HB   LYS 101          2HB       LYS 101   9.727  11.123   5.922
  805   1HG   LYS 101          1HG       LYS 101   7.586  11.952   7.234
  806   2HG   LYS 101          2HG       LYS 101   7.230  10.211   7.368
  807   1HD   LYS 101          1HD       LYS 101   8.296  10.926   9.312
  808   2HD   LYS 101          2HD       LYS 101   9.364   9.813   8.435
  809   1HE   LYS 101          1HE       LYS 101  10.679  11.648   9.385
  810   2HE   LYS 101          2HE       LYS 101  10.690  11.768   7.611
  811   1HZ   LYS 101          1HZ       LYS 101   8.987  13.305   9.420
  812   2HZ   LYS 101          2HZ       LYS 101  10.311  13.860   8.639
  813   3HZ   LYS 101          3HZ       LYS 101   8.994  13.417   7.786
  814    H    LYS 102           H        LYS 102   9.095   9.581   2.892
  815    HA   LYS 102           HA       LYS 102  11.177  11.112   1.938
  816   1HB   LYS 102          1HB       LYS 102  10.904   8.733   1.799
  817   2HB   LYS 102          2HB       LYS 102   9.590   8.915   0.596
  818   1HG   LYS 102          1HG       LYS 102  11.129   9.971  -0.972
  819   2HG   LYS 102          2HG       LYS 102  12.401  10.029   0.273
  820   1HD   LYS 102          1HD       LYS 102  12.464   7.589   0.369
  821   2HD   LYS 102          2HD       LYS 102  11.145   7.471  -0.811
  822   1HE   LYS 102          1HE       LYS 102  13.320   7.059  -1.916
  823   2HE   LYS 102          2HE       LYS 102  12.629   8.567  -2.525
  824   1HZ   LYS 102          1HZ       LYS 102  14.011   9.728  -0.927
  825   2HZ   LYS 102          2HZ       LYS 102  14.669   8.326  -0.437
  826   3HZ   LYS 102          3HZ       LYS 102  14.905   8.844  -1.973
  827    H    ALA 103           H        ALA 103   7.875  10.596   0.780
  828    HA   ALA 103           HA       ALA 103   7.638  12.760  -1.097
  829   1HB   ALA 103          1HB       ALA 103   5.898  10.982  -0.926
  830   2HB   ALA 103          2HB       ALA 103   5.204  12.587  -0.579
  831   3HB   ALA 103          3HB       ALA 103   5.570  11.476   0.753
  832    H    ALA 104           H        ALA 104   6.230  14.873  -0.305
  833    HA   ALA 104           HA       ALA 104   6.731  16.854   0.575
  834   1HB   ALA 104          1HB       ALA 104   6.767  15.225   3.108
  835   2HB   ALA 104          2HB       ALA 104   5.345  15.945   2.318
  836   3HB   ALA 104          3HB       ALA 104   6.611  16.998   3.034
  837    H    ALA 105           H        ALA 105   9.053  14.467   1.747
  838    HA   ALA 105           HA       ALA 105  11.113  14.536   0.735
  839   1HB   ALA 105          1HB       ALA 105  11.424  17.352   1.801
  840   2HB   ALA 105          2HB       ALA 105  12.721  16.380   1.050
  841   3HB   ALA 105          3HB       ALA 105  11.292  16.851   0.096
  842    H    ASN 106           H        ASN 106  12.601  13.392   1.694
  843    HA   ASN 106           HA       ASN 106  13.661  13.883   4.264
  844   1HB   ASN 106          1HB       ASN 106  11.417  12.310   4.407
  845   2HB   ASN 106          2HB       ASN 106  12.613  11.103   3.922
  846   2HD2  ASN 106          2HD2      ASN 106  12.741  13.892   6.151
  847   1HD2  ASN 106          1HD2      ASN 106  13.576  12.999   7.410

  No H/Q in entry =         847
  Start of MODEL    7
    1    H1   MET   1           H1       MET   1  -9.813  15.902   8.450
    2    H2   MET   1           H2       MET   1 -10.647  16.506   9.718
    3    H3   MET   1           H3       MET   1  -9.367  17.314   9.109
    4    HA   MET   1           HA       MET   1  -8.664  16.258  11.128
    5   1HB   MET   1          1HB       MET   1 -10.471  14.372  10.718
    6   2HB   MET   1          2HB       MET   1  -9.247  13.651   9.673
    7   1HG   MET   1          1HG       MET   1  -9.037  12.626  11.814
    8   2HG   MET   1          2HG       MET   1  -7.642  13.689  11.591
    9   1HE   MET   1          1HE       MET   1 -11.390  14.292  12.736
   10   2HE   MET   1          2HE       MET   1 -10.811  12.883  13.651
   11   3HE   MET   1          3HE       MET   1 -11.170  14.407  14.498
   12    H    GLU   2           H        GLU   2  -6.347  15.973  11.127
   13    HA   GLU   2           HA       GLU   2  -5.043  16.164   8.597
   14   1HB   GLU   2          1HB       GLU   2  -4.584  17.404  10.755
   15   2HB   GLU   2          2HB       GLU   2  -4.063  15.874  11.469
   16   1HG   GLU   2          1HG       GLU   2  -2.207  15.705   9.876
   17   2HG   GLU   2          2HG       GLU   2  -2.733  17.206   9.064
   18    H    LYS   3           H        LYS   3  -5.071  14.229   7.408
   19    HA   LYS   3           HA       LYS   3  -3.953  11.916   8.696
   20   1HB   LYS   3          1HB       LYS   3  -6.661  12.065   7.302
   21   2HB   LYS   3          2HB       LYS   3  -5.779  10.538   7.394
   22   1HG   LYS   3          1HG       LYS   3  -5.735  10.864   9.941
   23   2HG   LYS   3          2HG       LYS   3  -6.882  12.193   9.708
   24   1HD   LYS   3          1HD       LYS   3  -8.456  10.676   8.573
   25   2HD   LYS   3          2HD       LYS   3  -7.305   9.326   8.787
   26   1HE   LYS   3          1HE       LYS   3  -7.506   9.499  11.222
   27   2HE   LYS   3          2HE       LYS   3  -8.606  10.892  11.048
   28   1HZ   LYS   3          1HZ       LYS   3 -10.108   9.460   9.879
   29   2HZ   LYS   3          2HZ       LYS   3  -9.102   8.185  10.046
   30   3HZ   LYS   3          3HZ       LYS   3  -9.795   8.855  11.362
   31    H    LYS   4           H        LYS   4  -3.130  10.387   7.275
   32    HA   LYS   4           HA       LYS   4  -2.769  11.301   4.494
   33   1HB   LYS   4          1HB       LYS   4  -0.966   9.758   6.397
   34   2HB   LYS   4          2HB       LYS   4  -0.595   9.922   4.672
   35   1HG   LYS   4          1HG       LYS   4  -0.368  12.289   4.831
   36   2HG   LYS   4          2HG       LYS   4  -1.168  12.335   6.417
   37   1HD   LYS   4          1HD       LYS   4   0.773  11.018   7.333
   38   2HD   LYS   4          2HD       LYS   4   1.576  11.190   5.757
   39   1HE   LYS   4          1HE       LYS   4   0.684  13.510   7.521
   40   2HE   LYS   4          2HE       LYS   4   2.339  12.896   7.409
   41   1HZ   LYS   4          1HZ       LYS   4   0.779  13.989   5.181
   42   2HZ   LYS   4          2HZ       LYS   4   1.963  14.772   5.986
   43   3HZ   LYS   4          3HZ       LYS   4   2.310  13.448   5.086
   44    H    HIS   5           H        HIS   5  -2.683   9.796   2.815
   45    HA   HIS   5           HA       HIS   5  -4.391   7.473   3.293
   46   1HB   HIS   5          1HB       HIS   5  -4.044   9.309   0.889
   47   2HB   HIS   5          2HB       HIS   5  -4.889   7.765   0.787
   48    HD2  HIS   5           HD2      HIS   5  -5.214  11.327   2.369
   49    HE1  HIS   5           HE1      HIS   5  -8.968   9.492   2.557
   50    HE2  HIS   5           HE2      HIS   5  -7.709  11.681   2.871
   51    H    ILE   6           H        ILE   6  -3.622   5.549   3.107
   52    HA   ILE   6           HA       ILE   6  -1.218   4.979   1.494
   53    HB   ILE   6           HB       ILE   6  -2.167   3.679   4.065
   54   1HG1  ILE   6          1HG1      ILE   6   0.362   5.314   3.650
   55   2HG1  ILE   6          2HG1      ILE   6  -1.144   5.991   4.273
   56   1HG2  ILE   6          1HG2      ILE   6   0.301   3.146   2.351
   57   2HG2  ILE   6          2HG2      ILE   6  -0.033   2.417   3.937
   58   3HG2  ILE   6          3HG2      ILE   6  -1.103   2.080   2.562
   59   1HD1  ILE   6          1HD1      ILE   6  -1.047   4.466   6.206
   60   2HD1  ILE   6          2HD1      ILE   6   0.468   3.767   5.565
   61   3HD1  ILE   6          3HD1      ILE   6   0.415   5.469   6.070
   62    H    TYR   7           H        TYR   7  -2.118   4.221  -0.335
   63    HA   TYR   7           HA       TYR   7  -4.347   2.293  -0.086
   64   1HB   TYR   7          1HB       TYR   7  -3.631   4.055  -2.439
   65   2HB   TYR   7          2HB       TYR   7  -4.890   2.837  -2.444
   66    HD1  TYR   7           HD1      TYR   7  -5.936   3.638   0.550
   67    HD2  TYR   7           HD2      TYR   7  -5.036   5.764  -3.101
   68    HE1  TYR   7           HE1      TYR   7  -7.718   5.227   1.025
   69    HE2  TYR   7           HE2      TYR   7  -6.679   7.464  -2.504
   70    HH   TYR   7           HH       TYR   7  -8.199   8.106  -0.959
   71    H    LEU   8           H        LEU   8  -4.188   0.339  -0.715
   72    HA   LEU   8           HA       LEU   8  -1.653  -0.626  -1.868
   73   1HB   LEU   8          1HB       LEU   8  -3.716  -1.891  -0.037
   74   2HB   LEU   8          2HB       LEU   8  -2.562  -2.870  -0.958
   75    HG   LEU   8           HG       LEU   8  -0.785  -1.271   0.252
   76   1HD1  LEU   8          1HD1      LEU   8  -3.210  -1.029   2.023
   77   2HD1  LEU   8          2HD1      LEU   8  -1.529  -0.564   2.455
   78   3HD1  LEU   8          3HD1      LEU   8  -2.388   0.293   1.144
   79   1HD2  LEU   8          1HD2      LEU   8  -2.366  -3.417   1.736
   80   2HD2  LEU   8          2HD2      LEU   8  -0.986  -3.714   0.650
   81   3HD2  LEU   8          3HD2      LEU   8  -0.748  -2.829   2.171
   82    H    PHE   9           H        PHE   9  -1.598  -1.806  -3.623
   83    HA   PHE   9           HA       PHE   9  -4.125  -2.478  -4.976
   84   1HB   PHE   9          1HB       PHE   9  -1.665  -1.098  -6.127
   85   2HB   PHE   9          2HB       PHE   9  -2.912  -1.821  -7.131
   86    HD1  PHE   9           HD1      PHE   9  -5.208  -0.832  -7.183
   87    HD2  PHE   9           HD2      PHE   9  -2.089   0.920  -4.809
   88    HE1  PHE   9           HE1      PHE   9  -6.491   1.256  -7.028
   89    HE2  PHE   9           HE2      PHE   9  -3.316   3.050  -4.767
   90    HZ   PHE   9           HZ       PHE   9  -5.470   3.238  -5.996
   91    H    SER  11           H        SER  11  -3.459  -8.056  -7.759
   92    HA   SER  11           HA       SER  11  -4.941  -7.172  -9.785
   93   1HB   SER  11          1HB       SER  11  -5.044  -9.946  -8.501
   94   2HB   SER  11          2HB       SER  11  -5.445  -9.582 -10.187
   95    HG   SER  11           HG       SER  11  -3.347 -10.247 -10.236
   96    H    ALA  12           H        ALA  12  -6.477  -8.874  -6.961
   97    HA   ALA  12           HA       ALA  12  -9.035  -7.744  -7.916
   98   1HB   ALA  12          1HB       ALA  12  -8.894 -10.161  -7.938
   99   2HB   ALA  12          2HB       ALA  12  -8.420 -10.183  -6.222
  100   3HB   ALA  12          3HB       ALA  12 -10.053  -9.631  -6.699
  101    H    GLY  13           H        GLY  13  -6.777  -7.163  -5.461
  102   1HA   GLY  13          1HA       GLY  13  -8.504  -5.704  -3.783
  103   2HA   GLY  13          2HA       GLY  13  -6.816  -6.133  -3.456
  104    H    MET  14           H        MET  14  -7.032  -8.959  -3.403
  105    HA   MET  14           HA       MET  14  -9.052  -9.495  -1.366
  106   1HB   MET  14          1HB       MET  14  -7.634 -11.239  -3.382
  107   2HB   MET  14          2HB       MET  14  -8.473 -11.934  -1.989
  108   1HG   MET  14          1HG       MET  14  -9.722 -10.049  -4.018
  109   2HG   MET  14          2HG       MET  14  -9.876 -11.817  -4.038
  110   1HE   MET  14          1HE       MET  14 -12.442 -10.120  -4.177
  111   2HE   MET  14          2HE       MET  14 -12.453 -11.891  -3.987
  112   3HE   MET  14          3HE       MET  14 -13.472 -10.879  -2.938
  113    H    SER  15           H        SER  15  -5.764 -11.051  -1.824
  114    HA   SER  15           HA       SER  15  -5.581 -11.829   0.810
  115   1HB   SER  15          1HB       SER  15  -3.247 -11.182  -1.033
  116   2HB   SER  15          2HB       SER  15  -3.270 -12.332   0.315
  117    HG   SER  15           HG       SER  15  -3.578 -13.510  -1.589
  118    H    THR  16           H        THR  16  -4.608  -8.753  -0.663
  119    HA   THR  16           HA       THR  16  -2.946  -7.634   1.285
  120    HB   THR  16           HB       THR  16  -4.063  -5.502   0.328
  121    HG1  THR  16           HG1      THR  16  -5.122  -6.124  -1.796
  122   1HG2  THR  16          1HG2      THR  16  -1.852  -6.290  -0.351
  123   2HG2  THR  16          2HG2      THR  16  -2.589  -7.424  -1.508
  124   3HG2  THR  16          3HG2      THR  16  -2.755  -5.655  -1.745
  125    H    SER  17           H        SER  17  -6.540  -7.851   1.115
  126    HA   SER  17           HA       SER  17  -7.253  -5.955   2.875
  127   1HB   SER  17          1HB       SER  17  -8.802  -7.262   1.536
  128   2HB   SER  17          2HB       SER  17  -8.474  -8.717   2.510
  129    HG   SER  17           HG       SER  17 -10.438  -7.448   3.087
  130    H    LEU  18           H        LEU  18  -6.043  -9.204   3.690
  131    HA   LEU  18           HA       LEU  18  -6.591  -9.008   6.478
  132   1HB   LEU  18          1HB       LEU  18  -6.234 -11.208   5.430
  133   2HB   LEU  18          2HB       LEU  18  -4.595 -10.754   4.938
  134    HG   LEU  18           HG       LEU  18  -4.028 -10.467   7.327
  135   1HD1  LEU  18          1HD1      LEU  18  -6.652 -11.951   7.772
  136   2HD1  LEU  18          2HD1      LEU  18  -5.389 -11.708   9.003
  137   3HD1  LEU  18          3HD1      LEU  18  -6.257 -10.308   8.340
  138   1HD2  LEU  18          1HD2      LEU  18  -4.883 -13.225   6.354
  139   2HD2  LEU  18          2HD2      LEU  18  -3.319 -12.431   6.054
  140   3HD2  LEU  18          3HD2      LEU  18  -3.765 -12.930   7.703
  141    H    LEU  19           H        LEU  19  -3.568  -8.396   4.625
  142    HA   LEU  19           HA       LEU  19  -2.087  -7.577   6.864
  143   1HB   LEU  19          1HB       LEU  19  -1.500  -8.084   4.257
  144   2HB   LEU  19          2HB       LEU  19  -1.655  -6.333   4.150
  145    HG   LEU  19           HG       LEU  19   0.117  -7.653   6.249
  146   1HD1  LEU  19          1HD1      LEU  19   0.778  -8.553   4.077
  147   2HD1  LEU  19          2HD1      LEU  19   0.887  -6.900   3.412
  148   3HD1  LEU  19          3HD1      LEU  19   1.991  -7.415   4.714
  149   1HD2  LEU  19          1HD2      LEU  19  -0.347  -5.218   6.491
  150   2HD2  LEU  19          2HD2      LEU  19   1.366  -5.567   6.125
  151   3HD2  LEU  19          3HD2      LEU  19   0.292  -4.950   4.848
  152    H    VAL  20           H        VAL  20  -4.203  -5.699   4.678
  153    HA   VAL  20           HA       VAL  20  -3.805  -3.157   5.751
  154    HB   VAL  20           HB       VAL  20  -6.177  -4.549   4.529
  155   1HG1  VAL  20          1HG1      VAL  20  -5.858  -1.547   4.961
  156   2HG1  VAL  20          2HG1      VAL  20  -7.113  -2.316   3.960
  157   3HG1  VAL  20          3HG1      VAL  20  -7.074  -2.616   5.713
  158   1HG2  VAL  20          1HG2      VAL  20  -4.146  -2.544   3.432
  159   2HG2  VAL  20          2HG2      VAL  20  -4.222  -4.276   3.025
  160   3HG2  VAL  20          3HG2      VAL  20  -5.530  -3.180   2.506
  161    H    SER  21           H        SER  21  -6.270  -5.676   6.643
  162    HA   SER  21           HA       SER  21  -7.469  -4.435   8.630
  163   1HB   SER  21          1HB       SER  21  -8.133  -6.638   7.784
  164   2HB   SER  21          2HB       SER  21  -6.668  -7.375   8.460
  165    HG   SER  21           HG       SER  21  -8.753  -7.595   9.736
  166    H    LYS  22           H        LYS  22  -4.529  -6.464   9.013
  167    HA   LYS  22           HA       LYS  22  -4.133  -5.989  11.785
  168   1HB   LYS  22          1HB       LYS  22  -2.190  -6.728   9.545
  169   2HB   LYS  22          2HB       LYS  22  -1.713  -6.626  11.225
  170   1HG   LYS  22          1HG       LYS  22  -3.409  -8.447  11.788
  171   2HG   LYS  22          2HG       LYS  22  -3.682  -8.598   9.980
  172   1HD   LYS  22          1HD       LYS  22  -1.602  -9.124   9.573
  173   2HD   LYS  22          2HD       LYS  22  -1.062  -8.843  11.307
  174   1HE   LYS  22          1HE       LYS  22  -3.061 -10.992  10.435
  175   2HE   LYS  22          2HE       LYS  22  -1.342 -11.325  10.698
  176   1HZ   LYS  22          1HZ       LYS  22  -3.172 -10.210  12.694
  177   2HZ   LYS  22          2HZ       LYS  22  -2.678 -11.764  12.627
  178   3HZ   LYS  22          3HZ       LYS  22  -1.600 -10.579  12.933
  179    H    MET  23           H        MET  23  -3.017  -4.234   8.915
  180    HA   MET  23           HA       MET  23  -1.241  -2.542  10.323
  181   1HB   MET  23          1HB       MET  23  -1.828  -3.085   7.626
  182   2HB   MET  23          2HB       MET  23  -2.333  -1.399   7.854
  183   1HG   MET  23          1HG       MET  23  -0.092  -0.837   8.717
  184   2HG   MET  23          2HG       MET  23   0.348  -2.544   8.751
  185   1HE   MET  23          1HE       MET  23   0.707   0.647   6.773
  186   2HE   MET  23          2HE       MET  23   0.609   0.137   5.073
  187   3HE   MET  23          3HE       MET  23  -0.882   0.226   6.064
  188    H    ARG  24           H        ARG  24  -4.656  -2.112   9.313
  189    HA   ARG  24           HA       ARG  24  -5.044   0.479  10.320
  190   1HB   ARG  24          1HB       ARG  24  -6.811  -1.909   9.769
  191   2HB   ARG  24          2HB       ARG  24  -7.479  -0.592  10.728
  192   1HG   ARG  24          1HG       ARG  24  -6.872   1.000   8.890
  193   2HG   ARG  24          2HG       ARG  24  -6.370  -0.378   7.909
  194   1HD   ARG  24          1HD       ARG  24  -8.662  -1.280   7.918
  195   2HD   ARG  24          2HD       ARG  24  -9.156  -0.137   9.151
  196    HE   ARG  24           HE       ARG  24  -8.785   0.412   6.305
  197   1HH1  ARG  24          1HH1      ARG  24  -9.495   1.818   9.469
  198   2HH1  ARG  24          2HH1      ARG  24 -10.177   3.259   8.801
  199   1HH2  ARG  24          1HH2      ARG  24  -9.691   2.297   5.463
  200   2HH2  ARG  24          2HH2      ARG  24 -10.264   3.539   6.486
  201    H    ALA  25           H        ALA  25  -5.474  -2.702  11.972
  202    HA   ALA  25           HA       ALA  25  -6.211  -1.605  14.385
  203   1HB   ALA  25          1HB       ALA  25  -6.478  -3.991  13.721
  204   2HB   ALA  25          2HB       ALA  25  -4.723  -4.197  13.679
  205   3HB   ALA  25          3HB       ALA  25  -5.543  -3.928  15.238
  206    H    GLN  26           H        GLN  26  -2.934  -2.319  13.179
  207    HA   GLN  26           HA       GLN  26  -1.629  -1.534  15.616
  208   1HB   GLN  26          1HB       GLN  26  -0.632  -1.755  12.743
  209   2HB   GLN  26          2HB       GLN  26   0.415  -1.413  14.116
  210   1HG   GLN  26          1HG       GLN  26  -1.246  -3.949  13.956
  211   2HG   GLN  26          2HG       GLN  26   0.357  -3.840  13.266
  212   2HE2  GLN  26          2HE2      GLN  26   1.976  -4.690  14.672
  213   1HE2  GLN  26          1HE2      GLN  26   1.731  -4.712  16.401
  214    H    ALA  27           H        ALA  27  -2.663   0.277  12.735
  215    HA   ALA  27           HA       ALA  27  -1.301   2.684  13.356
  216   1HB   ALA  27          1HB       ALA  27  -2.364   2.205  11.139
  217   2HB   ALA  27          2HB       ALA  27  -3.949   2.151  11.932
  218   3HB   ALA  27          3HB       ALA  27  -3.051   3.684  11.854
  219    H    GLU  28           H        GLU  28  -4.509   1.386  14.337
  220    HA   GLU  28           HA       GLU  28  -5.312   3.665  15.802
  221   1HB   GLU  28          1HB       GLU  28  -6.038   0.716  15.760
  222   2HB   GLU  28          2HB       GLU  28  -6.897   1.886  16.797
  223   1HG   GLU  28          1HG       GLU  28  -7.629   3.128  14.822
  224   2HG   GLU  28          2HG       GLU  28  -6.649   2.085  13.757
  225    H    LYS  29           H        LYS  29  -3.710   0.597  16.708
  226    HA   LYS  29           HA       LYS  29  -3.602   0.948  19.461
  227   1HB   LYS  29          1HB       LYS  29  -3.122  -1.120  18.115
  228   2HB   LYS  29          2HB       LYS  29  -1.599  -0.411  17.618
  229   1HG   LYS  29          1HG       LYS  29  -0.944  -0.225  20.051
  230   2HG   LYS  29          2HG       LYS  29  -2.436  -1.079  20.479
  231   1HD   LYS  29          1HD       LYS  29  -1.710  -3.028  19.164
  232   2HD   LYS  29          2HD       LYS  29  -0.212  -2.173  18.713
  233   1HE   LYS  29          1HE       LYS  29   0.322  -3.687  20.517
  234   2HE   LYS  29          2HE       LYS  29   0.348  -2.049  21.195
  235   1HZ   LYS  29          1HZ       LYS  29  -1.885  -3.924  21.355
  236   2HZ   LYS  29          2HZ       LYS  29  -0.853  -3.552  22.571
  237   3HZ   LYS  29          3HZ       LYS  29  -1.866  -2.414  21.977
  238    H    TYR  30           H        TYR  30  -1.348   2.043  16.931
  239    HA   TYR  30           HA       TYR  30   0.378   3.282  18.964
  240   1HB   TYR  30          1HB       TYR  30   0.839   2.456  16.088
  241   2HB   TYR  30          2HB       TYR  30   2.004   3.378  17.009
  242    HD1  TYR  30           HD1      TYR  30   2.367   2.135  19.568
  243    HD2  TYR  30           HD2      TYR  30   1.166   0.228  15.896
  244    HE1  TYR  30           HE1      TYR  30   3.110  -0.009  20.445
  245    HE2  TYR  30           HE2      TYR  30   1.876  -1.927  16.772
  246    HH   TYR  30           HH       TYR  30   2.916  -2.976  18.436
  247    H    GLU  31           H        GLU  31  -2.144   4.507  18.105
  248    HA   GLU  31           HA       GLU  31  -3.062   6.246  17.156
  249   1HB   GLU  31          1HB       GLU  31  -2.401   8.315  18.345
  250   2HB   GLU  31          2HB       GLU  31  -2.673   6.899  19.369
  251   1HG   GLU  31          1HG       GLU  31  -0.262   6.543  19.548
  252   2HG   GLU  31          2HG       GLU  31   0.039   7.991  18.561
  253    H    VAL  32           H        VAL  32  -2.068   5.529  15.065
  254    HA   VAL  32           HA       VAL  32  -0.650   7.778  13.793
  255    HB   VAL  32           HB       VAL  32  -1.188   4.997  12.750
  256   1HG1  VAL  32          1HG1      VAL  32  -0.610   6.666  11.015
  257   2HG1  VAL  32          2HG1      VAL  32   0.837   7.135  11.938
  258   3HG1  VAL  32          3HG1      VAL  32   0.729   5.510  11.226
  259   1HG2  VAL  32          1HG2      VAL  32   1.328   5.966  14.150
  260   2HG2  VAL  32          2HG2      VAL  32   0.191   4.733  14.738
  261   3HG2  VAL  32          3HG2      VAL  32   1.147   4.416  13.283
  262    HA   PRO  33           HA       PRO  33  -4.773   8.390  12.174
  263   1HB   PRO  33          1HB       PRO  33  -4.551  11.052  11.471
  264   2HB   PRO  33          2HB       PRO  33  -4.853  10.520  13.138
  265   1HG   PRO  33          1HG       PRO  33  -2.196  11.281  11.836
  266   2HG   PRO  33          2HG       PRO  33  -2.820  11.739  13.447
  267   1HD   PRO  33          1HD       PRO  33  -1.039   9.695  13.092
  268   2HD   PRO  33          2HD       PRO  33  -2.267   9.660  14.384
  269    H    VAL  34           H        VAL  34  -4.371   6.929  10.566
  270    HA   VAL  34           HA       VAL  34  -4.041   8.083   7.869
  271    HB   VAL  34           HB       VAL  34  -2.838   6.065   7.186
  272   1HG1  VAL  34          1HG1      VAL  34  -1.452   7.820   9.225
  273   2HG1  VAL  34          2HG1      VAL  34  -0.634   6.766   8.046
  274   3HG1  VAL  34          3HG1      VAL  34  -1.634   8.125   7.480
  275   1HG2  VAL  34          1HG2      VAL  34  -2.492   5.575  10.168
  276   2HG2  VAL  34          2HG2      VAL  34  -3.326   4.511   9.013
  277   3HG2  VAL  34          3HG2      VAL  34  -1.578   4.752   8.881
  278    H    ILE  35           H        ILE  35  -4.889   7.008   6.196
  279    HA   ILE  35           HA       ILE  35  -7.100   5.136   6.801
  280    HB   ILE  35           HB       ILE  35  -6.845   7.290   4.675
  281   1HG1  ILE  35          1HG1      ILE  35  -8.897   6.936   6.872
  282   2HG1  ILE  35          2HG1      ILE  35  -7.442   7.926   7.054
  283   1HG2  ILE  35          1HG2      ILE  35  -9.074   5.259   5.111
  284   2HG2  ILE  35          2HG2      ILE  35  -9.119   6.617   3.960
  285   3HG2  ILE  35          3HG2      ILE  35  -7.945   5.296   3.736
  286   1HD1  ILE  35          1HD1      ILE  35  -8.222   9.411   5.225
  287   2HD1  ILE  35          2HD1      ILE  35  -9.684   8.409   5.063
  288   3HD1  ILE  35          3HD1      ILE  35  -9.393   9.313   6.561
  289    H    ILE  36           H        ILE  36  -6.502   3.182   6.359
  290    HA   ILE  36           HA       ILE  36  -4.766   2.689   4.021
  291    HB   ILE  36           HB       ILE  36  -5.206   0.944   6.469
  292   1HG1  ILE  36          1HG1      ILE  36  -2.694   2.564   5.962
  293   2HG1  ILE  36          2HG1      ILE  36  -4.086   3.240   6.819
  294   1HG2  ILE  36          1HG2      ILE  36  -4.494  -0.258   4.461
  295   2HG2  ILE  36          2HG2      ILE  36  -3.125   0.842   4.238
  296   3HG2  ILE  36          3HG2      ILE  36  -3.180  -0.233   5.657
  297   1HD1  ILE  36          1HD1      ILE  36  -2.582   0.730   7.644
  298   2HD1  ILE  36          2HD1      ILE  36  -2.413   2.344   8.383
  299   3HD1  ILE  36          3HD1      ILE  36  -3.953   1.471   8.511
  300    H    GLU  37           H        GLU  37  -5.679   1.741   2.345
  301    HA   GLU  37           HA       GLU  37  -8.051   0.001   2.612
  302   1HB   GLU  37          1HB       GLU  37  -7.854   2.275   0.629
  303   2HB   GLU  37          2HB       GLU  37  -9.204   1.168   0.856
  304   1HG   GLU  37          1HG       GLU  37  -8.629   2.530   3.351
  305   2HG   GLU  37          2HG       GLU  37  -8.960   3.702   2.063
  306    H    ALA  38           H        ALA  38  -8.364  -1.373   0.913
  307    HA   ALA  38           HA       ALA  38  -6.108  -1.619  -0.976
  308   1HB   ALA  38          1HB       ALA  38  -7.775  -3.852   0.285
  309   2HB   ALA  38          2HB       ALA  38  -6.485  -4.078  -0.919
  310   3HB   ALA  38          3HB       ALA  38  -6.090  -3.456   0.694
  311    H    PHE  39           H        PHE  39  -6.479  -1.874  -3.051
  312    HA   PHE  39           HA       PHE  39  -9.229  -2.084  -4.047
  313   1HB   PHE  39          1HB       PHE  39  -7.154   0.052  -4.636
  314   2HB   PHE  39          2HB       PHE  39  -8.483  -0.276  -5.741
  315    HD1  PHE  39           HD1      PHE  39  -7.663   1.068  -2.345
  316    HD2  PHE  39           HD2      PHE  39 -10.759   0.323  -5.232
  317    HE1  PHE  39           HE1      PHE  39  -8.976   2.918  -1.419
  318    HE2  PHE  39           HE2      PHE  39 -12.126   2.089  -4.208
  319    HZ   PHE  39           HZ       PHE  39 -11.228   3.378  -2.291
  320    HA   PRO  40           HA       PRO  40  -7.203  -4.504  -7.281
  321   1HB   PRO  40          1HB       PRO  40  -8.938  -3.957  -9.402
  322   2HB   PRO  40          2HB       PRO  40  -9.181  -5.270  -8.210
  323   1HG   PRO  40          1HG       PRO  40 -10.407  -2.534  -8.336
  324   2HG   PRO  40          2HG       PRO  40 -11.117  -4.096  -7.804
  325   1HD   PRO  40          1HD       PRO  40 -10.316  -2.238  -5.976
  326   2HD   PRO  40          2HD       PRO  40 -10.140  -3.979  -5.658
  327    H    GLU  41           H        GLU  41  -6.089  -4.275  -9.279
  328    HA   GLU  41           HA       GLU  41  -4.521  -1.931  -9.241
  329   1HB   GLU  41          1HB       GLU  41  -3.134  -3.078 -10.737
  330   2HB   GLU  41          2HB       GLU  41  -3.851  -4.388  -9.799
  331   1HG   GLU  41          1HG       GLU  41  -4.750  -3.558 -12.540
  332   2HG   GLU  41          2HG       GLU  41  -3.572  -4.857 -12.130
  333    H    THR  42           H        THR  42  -7.249  -2.814 -11.232
  334    HA   THR  42           HA       THR  42  -7.006  -1.136 -13.389
  335    HB   THR  42           HB       THR  42  -9.518  -1.069 -13.321
  336    HG1  THR  42           HG1      THR  42 -10.436  -2.516 -11.625
  337   1HG2  THR  42          1HG2      THR  42  -8.355  -2.911 -14.437
  338   2HG2  THR  42          2HG2      THR  42  -8.269  -3.814 -12.903
  339   3HG2  THR  42          3HG2      THR  42  -9.844  -3.494 -13.654
  340    H    LEU  43           H        LEU  43  -7.814  -0.243 -10.122
  341    HA   LEU  43           HA       LEU  43  -8.541   2.485 -10.950
  342   1HB   LEU  43          1HB       LEU  43  -8.706   1.018  -8.303
  343   2HB   LEU  43          2HB       LEU  43  -9.269   2.685  -8.538
  344    HG   LEU  43           HG       LEU  43 -10.365   0.329 -10.116
  345   1HD1  LEU  43          1HD1      LEU  43 -11.492   1.657  -7.627
  346   2HD1  LEU  43          2HD1      LEU  43 -12.308   0.441  -8.643
  347   3HD1  LEU  43          3HD1      LEU  43 -10.842   0.000  -7.742
  348   1HD2  LEU  43          1HD2      LEU  43 -10.681   2.560 -11.173
  349   2HD2  LEU  43          2HD2      LEU  43 -12.214   1.863 -10.612
  350   3HD2  LEU  43          3HD2      LEU  43 -11.440   3.156  -9.679
  351    H    ALA  44           H        ALA  44  -5.716   1.197 -10.635
  352    HA   ALA  44           HA       ALA  44  -4.393   2.573  -8.637
  353   1HB   ALA  44          1HB       ALA  44  -3.438   0.617  -9.878
  354   2HB   ALA  44          2HB       ALA  44  -2.308   1.988  -9.937
  355   3HB   ALA  44          3HB       ALA  44  -3.333   1.607 -11.341
  356    H    GLY  45           H        GLY  45  -4.890   3.669 -12.042
  357   1HA   GLY  45          1HA       GLY  45  -4.719   5.718 -12.953
  358   2HA   GLY  45          2HA       GLY  45  -3.397   6.054 -11.799
  359    H    GLU  46           H        GLU  46  -6.893   5.406 -11.554
  360    HA   GLU  46           HA       GLU  46  -7.704   8.040 -11.250
  361   1HB   GLU  46          1HB       GLU  46  -8.944   5.932 -12.001
  362   2HB   GLU  46          2HB       GLU  46  -9.092   5.495 -10.296
  363   1HG   GLU  46          1HG       GLU  46 -10.301   7.662  -9.880
  364   2HG   GLU  46          2HG       GLU  46 -10.304   7.936 -11.637
  365    H    LYS  47           H        LYS  47  -7.456   5.458  -8.776
  366    HA   LYS  47           HA       LYS  47  -8.096   7.345  -6.678
  367   1HB   LYS  47          1HB       LYS  47  -7.853   4.385  -6.882
  368   2HB   LYS  47          2HB       LYS  47  -7.421   5.093  -5.329
  369   1HG   LYS  47          1HG       LYS  47  -9.775   4.467  -5.260
  370   2HG   LYS  47          2HG       LYS  47  -9.666   6.204  -5.226
  371   1HD   LYS  47          1HD       LYS  47 -10.183   6.294  -7.646
  372   2HD   LYS  47          2HD       LYS  47 -10.311   4.531  -7.695
  373   1HE   LYS  47          1HE       LYS  47 -12.561   5.392  -7.513
  374   2HE   LYS  47          2HE       LYS  47 -12.144   4.754  -5.907
  375   1HZ   LYS  47          1HZ       LYS  47 -11.590   6.974  -5.267
  376   2HZ   LYS  47          2HZ       LYS  47 -11.986   7.536  -6.758
  377   3HZ   LYS  47          3HZ       LYS  47 -13.136   6.892  -5.793
  378    H    GLY  48           H        GLY  48  -5.165   5.869  -7.969
  379   1HA   GLY  48          1HA       GLY  48  -3.007   6.125  -7.527
  380   2HA   GLY  48          2HA       GLY  48  -3.427   6.260  -5.801
  381    H    GLN  49           H        GLN  49  -4.719   8.476  -8.220
  382    HA   GLN  49           HA       GLN  49  -3.016  10.629  -8.046
  383   1HB   GLN  49          1HB       GLN  49  -6.015  10.342  -8.423
  384   2HB   GLN  49          2HB       GLN  49  -5.213  11.920  -8.516
  385   1HG   GLN  49          1HG       GLN  49  -3.943  11.281 -10.413
  386   2HG   GLN  49          2HG       GLN  49  -4.237   9.551 -10.124
  387   2HE2  GLN  49          2HE2      GLN  49  -4.868   9.551 -12.507
  388   1HE2  GLN  49          1HE2      GLN  49  -6.524  10.044 -12.822
  389    H    ASN  50           H        ASN  50  -5.382   9.484  -5.697
  390    HA   ASN  50           HA       ASN  50  -4.920  11.851  -4.002
  391   1HB   ASN  50          1HB       ASN  50  -7.292   9.957  -4.188
  392   2HB   ASN  50          2HB       ASN  50  -7.109  11.239  -2.973
  393   2HD2  ASN  50          2HD2      ASN  50  -8.342  10.584  -6.205
  394   1HD2  ASN  50          1HD2      ASN  50  -8.478  12.277  -6.606
  395    H    ALA  51           H        ALA  51  -3.313   9.297  -4.322
  396    HA   ALA  51           HA       ALA  51  -3.318   8.525  -1.480
  397   1HB   ALA  51          1HB       ALA  51  -3.352   6.697  -3.118
  398   2HB   ALA  51          2HB       ALA  51  -1.868   7.325  -3.882
  399   3HB   ALA  51          3HB       ALA  51  -1.810   6.729  -2.210
  400    H    ASP  52           H        ASP  52  -1.646   9.003  -0.155
  401    HA   ASP  52           HA       ASP  52   0.441  10.794  -1.034
  402   1HB   ASP  52          1HB       ASP  52  -0.139   9.493   1.668
  403   2HB   ASP  52          2HB       ASP  52   1.171  10.652   1.355
  404    H    VAL  53           H        VAL  53   0.181   7.314  -0.078
  405    HA   VAL  53           HA       VAL  53   2.496   6.951  -1.796
  406    HB   VAL  53           HB       VAL  53   3.326   6.882   0.527
  407   1HG1  VAL  53          1HG1      VAL  53   1.428   6.063   1.633
  408   2HG1  VAL  53          2HG1      VAL  53   1.603   4.449   0.875
  409   3HG1  VAL  53          3HG1      VAL  53   2.888   5.063   1.979
  410   1HG2  VAL  53          1HG2      VAL  53   3.394   4.276  -1.063
  411   2HG2  VAL  53          2HG2      VAL  53   4.464   5.630  -1.315
  412   3HG2  VAL  53          3HG2      VAL  53   4.552   4.722   0.226
  413    H    VAL  54           H        VAL  54   2.310   5.270  -3.122
  414    HA   VAL  54           HA       VAL  54  -0.073   3.523  -2.976
  415    HB   VAL  54           HB       VAL  54   1.832   4.241  -5.211
  416   1HG1  VAL  54          1HG1      VAL  54   0.916   1.963  -5.519
  417   2HG1  VAL  54          2HG1      VAL  54  -0.734   2.588  -5.294
  418   3HG1  VAL  54          3HG1      VAL  54   0.209   3.063  -6.728
  419   1HG2  VAL  54          1HG2      VAL  54  -1.079   5.042  -4.768
  420   2HG2  VAL  54          2HG2      VAL  54   0.334   6.106  -4.682
  421   3HG2  VAL  54          3HG2      VAL  54  -0.138   5.387  -6.246
  422    H    LEU  55           H        LEU  55   0.285   1.591  -2.226
  423    HA   LEU  55           HA       LEU  55   2.960   0.402  -2.552
  424   1HB   LEU  55          1HB       LEU  55   0.839   0.113  -0.399
  425   2HB   LEU  55          2HB       LEU  55   2.099  -1.115  -0.604
  426    HG   LEU  55           HG       LEU  55   2.832   1.832  -0.349
  427   1HD1  LEU  55          1HD1      LEU  55   1.370   1.173   1.620
  428   2HD1  LEU  55          2HD1      LEU  55   2.438  -0.216   1.914
  429   3HD1  LEU  55          3HD1      LEU  55   3.065   1.435   2.101
  430   1HD2  LEU  55          1HD2      LEU  55   4.380  -0.664   0.313
  431   2HD2  LEU  55          2HD2      LEU  55   4.557   0.440  -1.099
  432   3HD2  LEU  55          3HD2      LEU  55   4.849   1.048   0.551
  433    H    LEU  56           H        LEU  56   3.257  -1.346  -3.597
  434    HA   LEU  56           HA       LEU  56   0.950  -2.726  -4.795
  435   1HB   LEU  56          1HB       LEU  56   3.893  -2.781  -5.576
  436   2HB   LEU  56          2HB       LEU  56   2.563  -3.405  -6.547
  437    HG   LEU  56           HG       LEU  56   2.976  -0.476  -5.850
  438   1HD1  LEU  56          1HD1      LEU  56   3.555  -1.997  -8.433
  439   2HD1  LEU  56          2HD1      LEU  56   3.656  -0.237  -8.218
  440   3HD1  LEU  56          3HD1      LEU  56   4.765  -1.296  -7.334
  441   1HD2  LEU  56          1HD2      LEU  56   1.089  -1.788  -7.848
  442   2HD2  LEU  56          2HD2      LEU  56   0.614  -1.010  -6.312
  443   3HD2  LEU  56          3HD2      LEU  56   1.323  -0.040  -7.622
  444    H    GLY  57           H        GLY  57   0.608  -4.809  -4.659
  445   1HA   GLY  57          1HA       GLY  57   0.847  -7.051  -4.337
  446   2HA   GLY  57          2HA       GLY  57   1.895  -6.649  -2.958
  447    HA   PRO  58           HA       PRO  58   5.592  -7.427  -5.174
  448   1HB   PRO  58          1HB       PRO  58   6.071 -10.113  -4.468
  449   2HB   PRO  58          2HB       PRO  58   6.592  -8.662  -3.570
  450   1HG   PRO  58          1HG       PRO  58   4.186 -10.431  -3.122
  451   2HG   PRO  58          2HG       PRO  58   5.243  -9.616  -1.937
  452   1HD   PRO  58          1HD       PRO  58   2.787  -8.606  -2.575
  453   2HD   PRO  58          2HD       PRO  58   4.167  -7.524  -2.214
  454    H    GLN  59           H        GLN  59   2.889  -9.695  -5.592
  455    HA   GLN  59           HA       GLN  59   3.690 -10.903  -7.968
  456   1HB   GLN  59          1HB       GLN  59   1.252 -11.315  -8.322
  457   2HB   GLN  59          2HB       GLN  59   1.862 -11.852  -6.770
  458   1HG   GLN  59          1HG       GLN  59   0.602  -9.129  -6.895
  459   2HG   GLN  59          2HG       GLN  59  -0.448 -10.544  -6.995
  460   2HE2  GLN  59          2HE2      GLN  59  -1.443 -10.213  -4.959
  461   1HE2  GLN  59          1HE2      GLN  59  -0.562 -10.439  -3.483
  462    H    ILE  60           H        ILE  60   2.447  -7.632  -7.542
  463    HA   ILE  60           HA       ILE  60   2.419  -7.445 -10.472
  464    HB   ILE  60           HB       ILE  60   0.971  -5.483 -10.297
  465   1HG1  ILE  60          1HG1      ILE  60   0.160  -6.252  -7.510
  466   2HG1  ILE  60          2HG1      ILE  60   1.533  -5.157  -7.750
  467   1HG2  ILE  60          1HG2      ILE  60  -0.189  -8.074  -9.216
  468   2HG2  ILE  60          2HG2      ILE  60  -1.129  -6.734  -9.897
  469   3HG2  ILE  60          3HG2      ILE  60   0.026  -7.610 -10.917
  470   1HD1  ILE  60          1HD1      ILE  60  -1.262  -4.709  -8.859
  471   2HD1  ILE  60          2HD1      ILE  60  -0.551  -3.885  -7.449
  472   3HD1  ILE  60          3HD1      ILE  60   0.135  -3.633  -9.072
  473    H    ALA  61           H        ALA  61   4.620  -7.295  -8.522
  474    HA   ALA  61           HA       ALA  61   5.532  -4.627  -8.372
  475   1HB   ALA  61          1HB       ALA  61   7.725  -5.711  -7.843
  476   2HB   ALA  61          2HB       ALA  61   6.377  -6.474  -6.958
  477   3HB   ALA  61          3HB       ALA  61   7.057  -7.272  -8.398
  478    H    TYR  62           H        TYR  62   5.875  -7.076 -10.930
  479    HA   TYR  62           HA       TYR  62   7.758  -5.715 -12.499
  480   1HB   TYR  62          1HB       TYR  62   7.065  -7.090 -14.285
  481   2HB   TYR  62          2HB       TYR  62   6.951  -8.060 -12.819
  482    HD1  TYR  62           HD1      TYR  62   4.628  -8.522 -11.804
  483    HD2  TYR  62           HD2      TYR  62   5.242  -6.813 -15.711
  484    HE1  TYR  62           HE1      TYR  62   2.237  -8.848 -12.343
  485    HE2  TYR  62           HE2      TYR  62   2.920  -7.384 -16.315
  486    HH   TYR  62           HH       TYR  62   0.974  -8.140 -15.587
  487    H    MET  63           H        MET  63   4.381  -4.909 -11.907
  488    HA   MET  63           HA       MET  63   4.190  -3.110 -14.141
  489   1HB   MET  63          1HB       MET  63   2.537  -3.936 -11.767
  490   2HB   MET  63          2HB       MET  63   1.992  -2.622 -12.855
  491   1HG   MET  63          1HG       MET  63   1.886  -4.119 -14.721
  492   2HG   MET  63          2HG       MET  63   2.753  -5.388 -13.841
  493   1HE   MET  63          1HE       MET  63  -0.413  -3.090 -13.035
  494   2HE   MET  63          2HE       MET  63  -0.671  -3.780 -14.659
  495   3HE   MET  63          3HE       MET  63  -1.708  -4.288 -13.302
  496    H    LEU  64           H        LEU  64   5.948  -2.764 -11.254
  497    HA   LEU  64           HA       LEU  64   5.252  -0.259 -10.373
  498   1HB   LEU  64          1HB       LEU  64   6.781  -1.713  -9.205
  499   2HB   LEU  64          2HB       LEU  64   7.942  -1.679 -10.509
  500    HG   LEU  64           HG       LEU  64   7.901   0.881 -10.244
  501   1HD1  LEU  64          1HD1      LEU  64   6.010   1.006  -8.650
  502   2HD1  LEU  64          2HD1      LEU  64   6.947   0.065  -7.453
  503   3HD1  LEU  64          3HD1      LEU  64   7.481   1.686  -7.916
  504   1HD2  LEU  64          1HD2      LEU  64   9.300  -0.862  -8.193
  505   2HD2  LEU  64          2HD2      LEU  64   9.879  -0.368  -9.816
  506   3HD2  LEU  64          3HD2      LEU  64   9.669   0.850  -8.542
  507    HA   PRO  65           HA       PRO  65   8.066   1.924 -13.529
  508   1HB   PRO  65          1HB       PRO  65   8.229   0.743 -16.047
  509   2HB   PRO  65          2HB       PRO  65   9.532   0.727 -14.816
  510   1HG   PRO  65          1HG       PRO  65   7.439  -1.366 -15.484
  511   2HG   PRO  65          2HG       PRO  65   9.164  -1.611 -15.094
  512   1HD   PRO  65          1HD       PRO  65   7.204  -1.993 -13.184
  513   2HD   PRO  65          2HD       PRO  65   8.772  -1.282 -12.720
  514    H    GLU  66           H        GLU  66   5.276  -0.044 -14.510
  515    HA   GLU  66           HA       GLU  66   4.356   1.844 -16.462
  516   1HB   GLU  66          1HB       GLU  66   3.975  -0.804 -16.125
  517   2HB   GLU  66          2HB       GLU  66   2.587  -0.246 -15.183
  518   1HG   GLU  66          1HG       GLU  66   1.714  -0.592 -17.337
  519   2HG   GLU  66          2HG       GLU  66   1.979   1.160 -17.287
  520    H    ILE  67           H        ILE  67   3.395   0.935 -13.150
  521    HA   ILE  67           HA       ILE  67   1.266   2.857 -12.888
  522    HB   ILE  67           HB       ILE  67   2.773   1.042 -11.059
  523   1HG1  ILE  67          1HG1      ILE  67  -0.079   1.166 -12.123
  524   2HG1  ILE  67          2HG1      ILE  67   1.213   0.193 -12.804
  525   1HG2  ILE  67          1HG2      ILE  67   0.469   2.902 -10.387
  526   2HG2  ILE  67          2HG2      ILE  67   1.042   1.589  -9.309
  527   3HG2  ILE  67          3HG2      ILE  67   2.112   2.958  -9.702
  528   1HD1  ILE  67          1HD1      ILE  67  -0.037  -0.161 -10.049
  529   2HD1  ILE  67          2HD1      ILE  67  -0.367  -1.157 -11.466
  530   3HD1  ILE  67          3HD1      ILE  67   1.254  -1.193 -10.722
  531    H    GLN  68           H        GLN  68   4.753   2.859 -12.013
  532    HA   GLN  68           HA       GLN  68   4.808   5.362 -10.806
  533   1HB   GLN  68          1HB       GLN  68   6.615   3.578 -10.928
  534   2HB   GLN  68          2HB       GLN  68   6.919   4.111 -12.601
  535   1HG   GLN  68          1HG       GLN  68   8.246   5.767 -11.865
  536   2HG   GLN  68          2HG       GLN  68   6.900   6.411 -10.881
  537   2HE2  GLN  68          2HE2      GLN  68   7.111   6.345  -8.685
  538   1HE2  GLN  68          1HE2      GLN  68   8.244   5.243  -7.879
  539    H    ARG  69           H        ARG  69   5.010   4.424 -14.307
  540    HA   ARG  69           HA       ARG  69   5.502   6.927 -15.376
  541   1HB   ARG  69          1HB       ARG  69   5.696   4.700 -16.361
  542   2HB   ARG  69          2HB       ARG  69   3.938   4.590 -16.485
  543   1HG   ARG  69          1HG       ARG  69   5.263   6.984 -17.717
  544   2HG   ARG  69          2HG       ARG  69   5.460   5.434 -18.561
  545   1HD   ARG  69          1HD       ARG  69   3.083   5.186 -18.823
  546   2HD   ARG  69          2HD       ARG  69   2.764   6.585 -17.767
  547    HE   ARG  69           HE       ARG  69   4.459   7.503 -19.748
  548   1HH1  ARG  69          1HH1      ARG  69   1.247   6.008 -19.834
  549   2HH1  ARG  69          2HH1      ARG  69   0.745   6.847 -21.257
  550   1HH2  ARG  69          1HH2      ARG  69   3.727   8.685 -21.587
  551   2HH2  ARG  69          2HH2      ARG  69   2.167   8.365 -22.249
  552    H    LEU  70           H        LEU  70   2.436   5.265 -14.544
  553    HA   LEU  70           HA       LEU  70   0.579   7.214 -15.405
  554   1HB   LEU  70          1HB       LEU  70   0.682   4.926 -13.482
  555   2HB   LEU  70          2HB       LEU  70  -0.793   5.978 -13.533
  556    HG   LEU  70           HG       LEU  70   0.520   4.591 -15.840
  557   1HD1  LEU  70          1HD1      LEU  70  -1.770   3.566 -14.091
  558   2HD1  LEU  70          2HD1      LEU  70  -1.314   2.835 -15.640
  559   3HD1  LEU  70          3HD1      LEU  70  -0.169   2.811 -14.292
  560   1HD2  LEU  70          1HD2      LEU  70  -1.186   6.413 -16.416
  561   2HD2  LEU  70          2HD2      LEU  70  -1.826   4.816 -16.883
  562   3HD2  LEU  70          3HD2      LEU  70  -2.363   5.575 -15.381
  563    H    LEU  71           H        LEU  71   2.194   6.643 -12.285
  564    HA   LEU  71           HA       LEU  71   1.211   9.236 -11.247
  565   1HB   LEU  71          1HB       LEU  71   1.925   6.729  -9.719
  566   2HB   LEU  71          2HB       LEU  71   1.179   8.187  -9.060
  567    HG   LEU  71           HG       LEU  71  -0.184   6.509 -11.181
  568   1HD1  LEU  71          1HD1      LEU  71   0.298   5.037  -9.266
  569   2HD1  LEU  71          2HD1      LEU  71  -0.420   6.225  -8.155
  570   3HD1  LEU  71          3HD1      LEU  71  -1.429   5.399  -9.372
  571   1HD2  LEU  71          1HD2      LEU  71  -1.098   8.762 -10.859
  572   2HD2  LEU  71          2HD2      LEU  71  -2.235   7.506 -10.327
  573   3HD2  LEU  71          3HD2      LEU  71  -1.337   8.443  -9.122
  574    HA   PRO  72           HA       PRO  72   5.789   9.133 -11.116
  575   1HB   PRO  72          1HB       PRO  72   6.399  11.424 -12.545
  576   2HB   PRO  72          2HB       PRO  72   6.090   9.860 -13.351
  577   1HG   PRO  72          1HG       PRO  72   4.196  12.206 -12.935
  578   2HG   PRO  72          2HG       PRO  72   4.428  11.214 -14.388
  579   1HD   PRO  72          1HD       PRO  72   2.347  10.713 -12.627
  580   2HD   PRO  72          2HD       PRO  72   3.134   9.415 -13.533
  581    H    ASN  73           H        ASN  73   3.508  11.560 -10.273
  582    HA   ASN  73           HA       ASN  73   5.444  13.007  -8.647
  583   1HB   ASN  73          1HB       ASN  73   2.441  13.385  -8.993
  584   2HB   ASN  73          2HB       ASN  73   3.508  14.437  -8.052
  585   2HD2  ASN  73          2HD2      ASN  73   2.053  14.297 -11.147
  586   1HD2  ASN  73          1HD2      ASN  73   3.308  15.237 -11.913
  587    H    LYS  74           H        LYS  74   4.326  10.077  -8.063
  588    HA   LYS  74           HA       LYS  74   3.628  10.609  -5.267
  589   1HB   LYS  74          1HB       LYS  74   2.520   8.479  -7.117
  590   2HB   LYS  74          2HB       LYS  74   2.129   8.596  -5.397
  591   1HG   LYS  74          1HG       LYS  74   1.327  10.583  -7.563
  592   2HG   LYS  74          2HG       LYS  74   0.268   9.421  -6.751
  593   1HD   LYS  74          1HD       LYS  74   0.736  10.605  -4.585
  594   2HD   LYS  74          2HD       LYS  74   1.632  11.825  -5.503
  595   1HE   LYS  74          1HE       LYS  74  -0.437  12.298  -6.860
  596   2HE   LYS  74          2HE       LYS  74  -1.327  11.146  -5.881
  597   1HZ   LYS  74          1HZ       LYS  74  -0.758  12.422  -3.949
  598   2HZ   LYS  74          2HZ       LYS  74   0.034  13.521  -4.864
  599   3HZ   LYS  74          3HZ       LYS  74  -1.581  13.317  -5.037
  600    HA   PRO  75           HA       PRO  75   6.883   7.484  -4.784
  601   1HB   PRO  75          1HB       PRO  75   6.567   6.974  -2.129
  602   2HB   PRO  75          2HB       PRO  75   7.472   8.367  -2.771
  603   1HG   PRO  75          1HG       PRO  75   4.594   8.292  -1.737
  604   2HG   PRO  75          2HG       PRO  75   5.834   9.523  -1.431
  605   1HD   PRO  75          1HD       PRO  75   3.878   9.845  -3.323
  606   2HD   PRO  75          2HD       PRO  75   5.508  10.517  -3.593
  607    H    VAL  76           H        VAL  76   6.568   5.687  -5.677
  608    HA   VAL  76           HA       VAL  76   4.320   4.015  -4.810
  609    HB   VAL  76           HB       VAL  76   5.592   4.191  -7.604
  610   1HG1  VAL  76          1HG1      VAL  76   4.674   1.974  -7.092
  611   2HG1  VAL  76          2HG1      VAL  76   3.112   2.708  -6.654
  612   3HG1  VAL  76          3HG1      VAL  76   3.696   2.790  -8.342
  613   1HG2  VAL  76          1HG2      VAL  76   4.281   6.209  -7.191
  614   2HG2  VAL  76          2HG2      VAL  76   3.532   5.170  -8.430
  615   3HG2  VAL  76          3HG2      VAL  76   2.861   5.207  -6.773
  616    H    GLU  77           H        GLU  77   4.961   2.367  -3.765
  617    HA   GLU  77           HA       GLU  77   7.606   1.183  -4.320
  618   1HB   GLU  77          1HB       GLU  77   6.277   1.745  -1.636
  619   2HB   GLU  77          2HB       GLU  77   7.754   0.795  -1.827
  620   1HG   GLU  77          1HG       GLU  77   7.395   3.764  -2.426
  621   2HG   GLU  77          2HG       GLU  77   8.251   3.053  -1.044
  622    H    VAL  78           H        VAL  78   7.880  -0.956  -3.720
  623    HA   VAL  78           HA       VAL  78   5.434  -2.585  -3.825
  624    HB   VAL  78           HB       VAL  78   8.348  -3.169  -4.278
  625   1HG1  VAL  78          1HG1      VAL  78   7.150  -5.242  -3.508
  626   2HG1  VAL  78          2HG1      VAL  78   5.916  -5.009  -4.754
  627   3HG1  VAL  78          3HG1      VAL  78   7.572  -5.380  -5.227
  628   1HG2  VAL  78          1HG2      VAL  78   6.080  -2.934  -6.279
  629   2HG2  VAL  78          2HG2      VAL  78   7.459  -1.824  -6.030
  630   3HG2  VAL  78          3HG2      VAL  78   7.734  -3.477  -6.634
  631    H    ILE  79           H        ILE  79   4.878  -3.977  -2.179
  632    HA   ILE  79           HA       ILE  79   6.129  -3.809   0.430
  633    HB   ILE  79           HB       ILE  79   4.014  -5.683  -0.675
  634   1HG1  ILE  79          1HG1      ILE  79   3.440  -3.374   1.181
  635   2HG1  ILE  79          2HG1      ILE  79   3.675  -3.030  -0.526
  636   1HG2  ILE  79          1HG2      ILE  79   4.804  -5.063   2.198
  637   2HG2  ILE  79          2HG2      ILE  79   3.420  -6.063   1.687
  638   3HG2  ILE  79          3HG2      ILE  79   5.087  -6.570   1.314
  639   1HD1  ILE  79          1HD1      ILE  79   1.635  -4.991   0.624
  640   2HD1  ILE  79          2HD1      ILE  79   1.268  -3.358   0.042
  641   3HD1  ILE  79          3HD1      ILE  79   1.829  -4.593  -1.100
  642    H    ASP  80           H        ASP  80   7.847  -4.855   1.016
  643    HA   ASP  80           HA       ASP  80   9.321  -6.693  -0.409
  644   1HB   ASP  80          1HB       ASP  80  10.202  -5.438   1.469
  645   2HB   ASP  80          2HB       ASP  80   9.090  -6.253   2.585
  646    H    SER  81           H        SER  81   9.328  -8.717  -0.835
  647    HA   SER  81           HA       SER  81   7.192 -10.286  -0.700
  648   1HB   SER  81          1HB       SER  81  10.106 -11.182  -0.837
  649   2HB   SER  81          2HB       SER  81   8.710 -12.161  -1.340
  650    HG   SER  81           HG       SER  81   9.684 -10.998  -3.129
  651    H    LEU  82           H        LEU  82   9.818 -10.184   1.753
  652    HA   LEU  82           HA       LEU  82   9.060 -12.585   3.120
  653   1HB   LEU  82          1HB       LEU  82  11.314 -11.957   2.965
  654   2HB   LEU  82          2HB       LEU  82  10.995 -10.314   3.537
  655    HG   LEU  82           HG       LEU  82  10.286 -11.277   5.726
  656   1HD1  LEU  82          1HD1      LEU  82  11.490 -13.851   4.610
  657   2HD1  LEU  82          2HD1      LEU  82  11.048 -13.591   6.311
  658   3HD1  LEU  82          3HD1      LEU  82   9.786 -13.602   5.066
  659   1HD2  LEU  82          1HD2      LEU  82  13.151 -11.872   4.891
  660   2HD2  LEU  82          2HD2      LEU  82  12.518 -10.336   5.546
  661   3HD2  LEU  82          3HD2      LEU  82  12.564 -11.788   6.563
  662    H    LEU  83           H        LEU  83   8.788  -9.002   3.808
  663    HA   LEU  83           HA       LEU  83   7.381  -9.135   6.157
  664   1HB   LEU  83          1HB       LEU  83   7.228  -7.157   3.892
  665   2HB   LEU  83          2HB       LEU  83   6.404  -6.927   5.441
  666    HG   LEU  83           HG       LEU  83   9.421  -7.241   5.091
  667   1HD1  LEU  83          1HD1      LEU  83   8.538  -5.034   4.289
  668   2HD1  LEU  83          2HD1      LEU  83   7.712  -4.821   5.844
  669   3HD1  LEU  83          3HD1      LEU  83   9.485  -4.869   5.784
  670   1HD2  LEU  83          1HD2      LEU  83   8.644  -8.162   7.189
  671   2HD2  LEU  83          2HD2      LEU  83   9.611  -6.681   7.423
  672   3HD2  LEU  83          3HD2      LEU  83   7.835  -6.619   7.598
  673    H    TYR  84           H        TYR  84   6.212  -9.280   2.853
  674    HA   TYR  84           HA       TYR  84   3.429  -9.376   3.271
  675   1HB   TYR  84          1HB       TYR  84   4.739  -8.988   1.123
  676   2HB   TYR  84          2HB       TYR  84   4.978 -10.727   1.048
  677    HD1  TYR  84           HD1      TYR  84   3.287 -12.152   0.114
  678    HD2  TYR  84           HD2      TYR  84   2.384  -8.056   1.054
  679    HE1  TYR  84           HE1      TYR  84   1.208 -12.294  -1.216
  680    HE2  TYR  84           HE2      TYR  84   0.269  -8.233  -0.190
  681    HH   TYR  84           HH       TYR  84  -1.064  -9.545  -1.316
  682    H    GLY  85           H        GLY  85   5.836 -12.044   2.998
  683   1HA   GLY  85          1HA       GLY  85   5.837 -14.190   3.670
  684   2HA   GLY  85          2HA       GLY  85   4.095 -14.220   3.355
  685    H    LYS  86           H        LYS  86   6.056 -12.375   5.726
  686    HA   LYS  86           HA       LYS  86   5.390 -13.791   8.061
  687   1HB   LYS  86          1HB       LYS  86   6.230 -10.949   7.445
  688   2HB   LYS  86          2HB       LYS  86   5.995 -11.531   9.117
  689   1HG   LYS  86          1HG       LYS  86   7.811 -13.052   8.936
  690   2HG   LYS  86          2HG       LYS  86   7.943 -12.814   7.185
  691   1HD   LYS  86          1HD       LYS  86   9.711 -11.566   8.208
  692   2HD   LYS  86          2HD       LYS  86   8.505 -10.400   7.624
  693   1HE   LYS  86          1HE       LYS  86   7.613 -10.231   9.957
  694   2HE   LYS  86          2HE       LYS  86   8.942 -11.301  10.483
  695   1HZ   LYS  86          1HZ       LYS  86  10.467  -9.664   9.643
  696   2HZ   LYS  86          2HZ       LYS  86   9.230  -8.686   9.194
  697   3HZ   LYS  86          3HZ       LYS  86   9.468  -8.994  10.757
  698    H    VAL  87           H        VAL  87   3.683 -11.429   6.171
  699    HA   VAL  87           HA       VAL  87   2.082 -10.003   6.370
  700    HB   VAL  87           HB       VAL  87   0.776 -11.908   8.333
  701   1HG1  VAL  87          1HG1      VAL  87  -0.394  -9.784   7.974
  702   2HG1  VAL  87          2HG1      VAL  87  -0.424 -10.073   6.222
  703   3HG1  VAL  87          3HG1      VAL  87  -1.317 -11.160   7.311
  704   1HG2  VAL  87          1HG2      VAL  87   1.577 -13.212   6.393
  705   2HG2  VAL  87          2HG2      VAL  87  -0.201 -13.104   6.416
  706   3HG2  VAL  87          3HG2      VAL  87   0.742 -12.093   5.291
  707    H    ASP  88           H        ASP  88   3.931  -8.955   7.497
  708    HA   ASP  88           HA       ASP  88   3.482  -8.367  10.335
  709   1HB   ASP  88          1HB       ASP  88   5.710  -9.095   9.603
  710   2HB   ASP  88          2HB       ASP  88   5.789  -7.745   8.461
  711    H    GLY  89           H        GLY  89   1.712  -7.153  10.197
  712   1HA   GLY  89          1HA       GLY  89   0.564  -5.185  10.327
  713   2HA   GLY  89          2HA       GLY  89   1.117  -4.986   8.644
  714    H    LEU  90           H        LEU  90   3.192  -5.030  11.556
  715    HA   LEU  90           HA       LEU  90   3.176  -2.167  11.934
  716   1HB   LEU  90          1HB       LEU  90   3.318  -3.867  13.757
  717   2HB   LEU  90          2HB       LEU  90   4.872  -4.391  13.093
  718    HG   LEU  90           HG       LEU  90   5.812  -2.172  13.453
  719   1HD1  LEU  90          1HD1      LEU  90   3.166  -1.523  14.836
  720   2HD1  LEU  90          2HD1      LEU  90   4.620  -0.505  14.879
  721   3HD1  LEU  90          3HD1      LEU  90   3.775  -0.784  13.337
  722   1HD2  LEU  90          1HD2      LEU  90   6.081  -3.876  15.194
  723   2HD2  LEU  90          2HD2      LEU  90   5.918  -2.265  15.932
  724   3HD2  LEU  90          3HD2      LEU  90   4.538  -3.387  15.940
  725    H    GLY  91           H        GLY  91   5.447  -4.643  10.679
  726   1HA   GLY  91          1HA       GLY  91   7.159  -4.590   9.237
  727   2HA   GLY  91          2HA       GLY  91   7.655  -3.116  10.073
  728    H    VAL  92           H        VAL  92   4.853  -3.908   7.966
  729    HA   VAL  92           HA       VAL  92   5.748  -2.366   5.736
  730    HB   VAL  92           HB       VAL  92   3.011  -3.425   6.477
  731   1HG1  VAL  92          1HG1      VAL  92   4.118  -2.547   3.770
  732   2HG1  VAL  92          2HG1      VAL  92   2.566  -3.375   3.997
  733   3HG1  VAL  92          3HG1      VAL  92   2.797  -1.753   4.669
  734   1HG2  VAL  92          1HG2      VAL  92   5.182  -4.607   4.699
  735   2HG2  VAL  92          2HG2      VAL  92   4.634  -5.260   6.267
  736   3HG2  VAL  92          3HG2      VAL  92   3.540  -5.268   4.864
  737    H    LEU  93           H        LEU  93   3.632  -1.646   8.537
  738    HA   LEU  93           HA       LEU  93   2.679   0.823   7.676
  739   1HB   LEU  93          1HB       LEU  93   1.981  -0.521   9.710
  740   2HB   LEU  93          2HB       LEU  93   3.486  -0.007  10.480
  741    HG   LEU  93           HG       LEU  93   2.763   2.381  10.169
  742   1HD1  LEU  93          1HD1      LEU  93   1.027   2.081   8.448
  743   2HD1  LEU  93          2HD1      LEU  93   0.038   1.136   9.587
  744   3HD1  LEU  93          3HD1      LEU  93   0.362   2.847   9.905
  745   1HD2  LEU  93          1HD2      LEU  93   1.023   0.614  11.933
  746   2HD2  LEU  93          2HD2      LEU  93   2.623   1.284  12.348
  747   3HD2  LEU  93          3HD2      LEU  93   1.241   2.365  12.106
  748    H    LYS  94           H        LYS  94   5.693  -0.011   9.420
  749    HA   LYS  94           HA       LYS  94   6.620   2.638   9.759
  750   1HB   LYS  94          1HB       LYS  94   7.893  -0.081   9.864
  751   2HB   LYS  94          2HB       LYS  94   8.866   1.385  10.062
  752   1HG   LYS  94          1HG       LYS  94   7.381   2.181  11.866
  753   2HG   LYS  94          2HG       LYS  94   6.364   0.749  11.694
  754   1HD   LYS  94          1HD       LYS  94   8.236  -0.682  12.430
  755   2HD   LYS  94          2HD       LYS  94   9.304   0.729  12.498
  756   1HE   LYS  94          1HE       LYS  94   6.814   0.424  14.243
  757   2HE   LYS  94          2HE       LYS  94   8.460   0.020  14.751
  758   1HZ   LYS  94          1HZ       LYS  94   7.565   2.645  13.849
  759   2HZ   LYS  94          2HZ       LYS  94   7.819   2.198  15.398
  760   3HZ   LYS  94          3HZ       LYS  94   9.073   2.264  14.354
  761    H    ALA  95           H        ALA  95   7.128   0.214   7.177
  762    HA   ALA  95           HA       ALA  95   9.028   1.757   5.744
  763   1HB   ALA  95          1HB       ALA  95   7.096  -0.475   4.925
  764   2HB   ALA  95          2HB       ALA  95   8.747  -0.725   5.529
  765   3HB   ALA  95          3HB       ALA  95   8.487   0.040   3.939
  766    H    ALA  96           H        ALA  96   5.505   1.466   5.605
  767    HA   ALA  96           HA       ALA  96   5.085   2.996   3.319
  768   1HB   ALA  96          1HB       ALA  96   3.385   1.508   4.322
  769   2HB   ALA  96          2HB       ALA  96   3.324   2.532   5.773
  770   3HB   ALA  96          3HB       ALA  96   2.719   3.157   4.221
  771    H    VAL  97           H        VAL  97   5.186   3.975   6.806
  772    HA   VAL  97           HA       VAL  97   4.525   6.645   6.207
  773    HB   VAL  97           HB       VAL  97   5.238   7.184   8.491
  774   1HG1  VAL  97          1HG1      VAL  97   2.930   6.384   7.996
  775   2HG1  VAL  97          2HG1      VAL  97   3.493   4.703   8.154
  776   3HG1  VAL  97          3HG1      VAL  97   3.440   5.752   9.591
  777   1HG2  VAL  97          1HG2      VAL  97   5.985   4.271   8.756
  778   2HG2  VAL  97          2HG2      VAL  97   7.034   5.700   8.944
  779   3HG2  VAL  97          3HG2      VAL  97   5.731   5.393  10.115
  780    H    ALA  98           H        ALA  98   7.442   4.912   6.214
  781    HA   ALA  98           HA       ALA  98   9.314   7.042   6.305
  782   1HB   ALA  98          1HB       ALA  98   9.427   4.250   5.115
  783   2HB   ALA  98          2HB       ALA  98  10.869   5.259   5.406
  784   3HB   ALA  98          3HB       ALA  98   9.889   4.673   6.781
  785    H    ALA  99           H        ALA  99   7.747   5.167   3.615
  786    HA   ALA  99           HA       ALA  99   8.751   6.693   1.490
  787   1HB   ALA  99          1HB       ALA  99   7.718   4.417   1.352
  788   2HB   ALA  99          2HB       ALA  99   6.848   5.563   0.288
  789   3HB   ALA  99          3HB       ALA  99   6.167   5.103   1.875
  790    H    ILE 100           H        ILE 100   5.832   7.191   3.568
  791    HA   ILE 100           HA       ILE 100   5.381   9.782   2.356
  792    HB   ILE 100           HB       ILE 100   4.565   8.980   5.129
  793   1HG1  ILE 100          1HG1      ILE 100   2.834   8.459   2.687
  794   2HG1  ILE 100          2HG1      ILE 100   3.876   7.189   3.314
  795   1HG2  ILE 100          1HG2      ILE 100   3.331  10.675   2.894
  796   2HG2  ILE 100          2HG2      ILE 100   2.569  10.422   4.480
  797   3HG2  ILE 100          3HG2      ILE 100   4.088  11.333   4.358
  798   1HD1  ILE 100          1HD1      ILE 100   2.692   7.303   5.508
  799   2HD1  ILE 100          2HD1      ILE 100   1.624   8.554   4.835
  800   3HD1  ILE 100          3HD1      ILE 100   1.604   6.909   4.161
  801    H    LYS 101           H        LYS 101   5.736  11.381   5.122
  802    HA   LYS 101           HA       LYS 101   7.170  13.165   4.938
  803   1HB   LYS 101          1HB       LYS 101   8.755  10.759   5.284
  804   2HB   LYS 101          2HB       LYS 101   9.491  12.388   5.541
  805   1HG   LYS 101          1HG       LYS 101   8.295  12.756   7.534
  806   2HG   LYS 101          2HG       LYS 101   6.958  11.709   7.015
  807   1HD   LYS 101          1HD       LYS 101   8.030  10.803   8.920
  808   2HD   LYS 101          2HD       LYS 101   8.224   9.732   7.527
  809   1HE   LYS 101          1HE       LYS 101  10.271   9.714   8.775
  810   2HE   LYS 101          2HE       LYS 101  10.580  10.605   7.271
  811   1HZ   LYS 101          1HZ       LYS 101  10.073  11.786   9.901
  812   2HZ   LYS 101          2HZ       LYS 101  11.514  11.688   9.149
  813   3HZ   LYS 101          3HZ       LYS 101  10.342  12.628   8.523
  814    H    LYS 102           H        LYS 102   8.554  10.493   3.044
  815    HA   LYS 102           HA       LYS 102   8.282  10.403   0.752
  816   1HB   LYS 102          1HB       LYS 102   7.883  12.987   0.685
  817   2HB   LYS 102          2HB       LYS 102   9.650  13.009   0.307
  818   1HG   LYS 102          1HG       LYS 102   7.684  11.310  -1.224
  819   2HG   LYS 102          2HG       LYS 102   8.080  12.978  -1.704
  820   1HD   LYS 102          1HD       LYS 102  10.399  12.432  -2.009
  821   2HD   LYS 102          2HD       LYS 102  10.170  10.832  -1.277
  822   1HE   LYS 102          1HE       LYS 102   8.744  10.153  -3.195
  823   2HE   LYS 102          2HE       LYS 102   8.999  11.740  -3.952
  824   1HZ   LYS 102          1HZ       LYS 102  11.347  11.271  -3.938
  825   2HZ   LYS 102          2HZ       LYS 102  11.101   9.815  -3.255
  826   3HZ   LYS 102          3HZ       LYS 102  10.537  10.109  -4.758
  827    H    ALA 103           H        ALA 103   9.566   8.846   1.230
  828    HA   ALA 103           HA       ALA 103  11.379   7.595   1.778
  829   1HB   ALA 103          1HB       ALA 103  12.707   9.516  -0.167
  830   2HB   ALA 103          2HB       ALA 103  13.383   7.961   0.368
  831   3HB   ALA 103          3HB       ALA 103  11.872   7.996  -0.568
  832    H    ALA 104           H        ALA 104  10.856   9.097   3.887
  833    HA   ALA 104           HA       ALA 104  11.229  10.722   5.324
  834   1HB   ALA 104          1HB       ALA 104  13.320  10.254   6.579
  835   2HB   ALA 104          2HB       ALA 104  12.433   8.779   6.055
  836   3HB   ALA 104          3HB       ALA 104  13.904   9.298   5.193
  837    H    ALA 105           H        ALA 105  10.961  12.496   3.768
  838    HA   ALA 105           HA       ALA 105  11.505  14.053   2.444
  839   1HB   ALA 105          1HB       ALA 105  12.902  14.896   5.002
  840   2HB   ALA 105          2HB       ALA 105  11.172  15.032   4.602
  841   3HB   ALA 105          3HB       ALA 105  12.375  16.001   3.708
  842    H    ASN 106           H        ASN 106  12.714  13.073   0.824
  843    HA   ASN 106           HA       ASN 106  15.576  13.608   0.693
  844   1HB   ASN 106          1HB       ASN 106  14.588  11.073   1.245
  845   2HB   ASN 106          2HB       ASN 106  14.510  11.107  -0.515
  846   2HD2  ASN 106          2HD2      ASN 106  16.796  12.360  -1.247
  847   1HD2  ASN 106          1HD2      ASN 106  18.222  11.457  -0.742

  No H/Q in entry =         847
  Start of MODEL    8
    1    H1   MET   1           H1       MET   1  -9.656  15.275  10.731
    2    H2   MET   1           H2       MET   1 -10.768  15.733   9.634
    3    H3   MET   1           H3       MET   1  -9.718  14.530   9.274
    4    HA   MET   1           HA       MET   1  -9.026  16.498   8.151
    5   1HB   MET   1          1HB       MET   1 -10.168  17.920   9.999
    6   2HB   MET   1          2HB       MET   1  -8.751  17.583  10.999
    7   1HG   MET   1          1HG       MET   1  -7.299  18.547   9.208
    8   2HG   MET   1          2HG       MET   1  -8.758  18.979   8.299
    9   1HE   MET   1          1HE       MET   1 -10.807  20.141  10.241
   10   2HE   MET   1          2HE       MET   1 -10.330  21.851  10.384
   11   3HE   MET   1          3HE       MET   1 -10.251  21.032   8.804
   12    H    GLU   2           H        GLU   2  -6.884  16.528   7.614
   13    HA   GLU   2           HA       GLU   2  -4.749  16.134   7.509
   14   1HB   GLU   2          1HB       GLU   2  -4.909  17.819   9.322
   15   2HB   GLU   2          2HB       GLU   2  -4.829  16.512  10.509
   16   1HG   GLU   2          1HG       GLU   2  -2.578  15.923   9.798
   17   2HG   GLU   2          2HG       GLU   2  -2.636  17.103   8.461
   18    H    LYS   3           H        LYS   3  -5.119  14.000   6.715
   19    HA   LYS   3           HA       LYS   3  -3.860  12.061   8.441
   20   1HB   LYS   3          1HB       LYS   3  -6.407  11.638   6.822
   21   2HB   LYS   3          2HB       LYS   3  -5.408  10.293   7.383
   22   1HG   LYS   3          1HG       LYS   3  -5.761  11.466   9.756
   23   2HG   LYS   3          2HG       LYS   3  -7.198  12.139   8.968
   24   1HD   LYS   3          1HD       LYS   3  -7.851   9.824   8.267
   25   2HD   LYS   3          2HD       LYS   3  -6.486   9.186   9.206
   26   1HE   LYS   3          1HE       LYS   3  -8.344   8.935  10.654
   27   2HE   LYS   3          2HE       LYS   3  -7.564  10.436  11.222
   28   1HZ   LYS   3          1HZ       LYS   3  -9.104  11.647   9.909
   29   2HZ   LYS   3          2HZ       LYS   3  -9.835  10.271   9.398
   30   3HZ   LYS   3          3HZ       LYS   3  -9.900  10.685  10.976
   31    H    LYS   4           H        LYS   4  -2.828  10.374   7.232
   32    HA   LYS   4           HA       LYS   4  -2.243  11.122   4.442
   33   1HB   LYS   4          1HB       LYS   4  -0.741   9.532   6.511
   34   2HB   LYS   4          2HB       LYS   4  -0.412   9.260   4.802
   35   1HG   LYS   4          1HG       LYS   4   1.221  10.768   5.473
   36   2HG   LYS   4          2HG       LYS   4   0.044  11.775   4.623
   37   1HD   LYS   4          1HD       LYS   4  -0.830  12.666   6.642
   38   2HD   LYS   4          2HD       LYS   4   0.012  11.461   7.635
   39   1HE   LYS   4          1HE       LYS   4   1.214  13.515   7.857
   40   2HE   LYS   4          2HE       LYS   4   2.196  12.487   6.809
   41   1HZ   LYS   4          1HZ       LYS   4   1.279  13.654   4.925
   42   2HZ   LYS   4          2HZ       LYS   4   0.401  14.618   5.904
   43   3HZ   LYS   4          3HZ       LYS   4   2.029  14.681   5.946
   44    H    HIS   5           H        HIS   5  -2.522   9.750   2.757
   45    HA   HIS   5           HA       HIS   5  -4.272   7.461   3.243
   46   1HB   HIS   5          1HB       HIS   5  -3.912   9.332   0.883
   47   2HB   HIS   5          2HB       HIS   5  -4.741   7.786   0.717
   48    HD2  HIS   5           HD2      HIS   5  -5.055  11.097   2.869
   49    HE1  HIS   5           HE1      HIS   5  -8.892   9.610   2.135
   50    HE2  HIS   5           HE2      HIS   5  -7.572  11.568   3.072
   51    H    ILE   6           H        ILE   6  -3.469   5.534   3.149
   52    HA   ILE   6           HA       ILE   6  -1.105   4.924   1.491
   53    HB   ILE   6           HB       ILE   6  -2.016   3.695   4.108
   54   1HG1  ILE   6          1HG1      ILE   6   0.514   5.304   3.611
   55   2HG1  ILE   6          2HG1      ILE   6  -0.984   6.028   4.197
   56   1HG2  ILE   6          1HG2      ILE   6  -0.958   2.049   2.638
   57   2HG2  ILE   6          2HG2      ILE   6   0.441   3.115   2.399
   58   3HG2  ILE   6          3HG2      ILE   6   0.107   2.430   4.005
   59   1HD1  ILE   6          1HD1      ILE   6  -0.908   4.592   6.201
   60   2HD1  ILE   6          2HD1      ILE   6   0.600   3.849   5.597
   61   3HD1  ILE   6          3HD1      ILE   6   0.564   5.574   6.025
   62    H    TYR   7           H        TYR   7  -1.907   4.001  -0.291
   63    HA   TYR   7           HA       TYR   7  -4.167   2.113   0.020
   64   1HB   TYR   7          1HB       TYR   7  -3.401   3.709  -2.434
   65   2HB   TYR   7          2HB       TYR   7  -4.710   2.548  -2.339
   66    HD1  TYR   7           HD1      TYR   7  -4.801   5.342  -3.293
   67    HD2  TYR   7           HD2      TYR   7  -5.658   3.685   0.607
   68    HE1  TYR   7           HE1      TYR   7  -6.431   7.134  -2.868
   69    HE2  TYR   7           HE2      TYR   7  -7.319   5.415   0.973
   70    HH   TYR   7           HH       TYR   7  -8.327   7.188   0.115
   71    H    LEU   8           H        LEU   8  -3.971   0.114  -0.460
   72    HA   LEU   8           HA       LEU   8  -1.454  -0.909  -1.608
   73   1HB   LEU   8          1HB       LEU   8  -3.542  -2.069   0.266
   74   2HB   LEU   8          2HB       LEU   8  -2.420  -3.108  -0.623
   75    HG   LEU   8           HG       LEU   8  -0.568  -1.581   0.470
   76   1HD1  LEU   8          1HD1      LEU   8  -2.895  -1.006   2.301
   77   2HD1  LEU   8          2HD1      LEU   8  -1.160  -0.649   2.610
   78   3HD1  LEU   8          3HD1      LEU   8  -2.016   0.167   1.278
   79   1HD2  LEU   8          1HD2      LEU   8  -2.259  -3.484   2.154
   80   2HD2  LEU   8          2HD2      LEU   8  -0.935  -3.960   1.060
   81   3HD2  LEU   8          3HD2      LEU   8  -0.591  -2.984   2.501
   82    H    PHE   9           H        PHE   9  -1.405  -2.216  -3.310
   83    HA   PHE   9           HA       PHE   9  -3.936  -2.762  -4.722
   84   1HB   PHE   9          1HB       PHE   9  -1.431  -1.422  -5.826
   85   2HB   PHE   9          2HB       PHE   9  -2.663  -2.135  -6.853
   86    HD1  PHE   9           HD1      PHE   9  -4.891  -1.091  -7.089
   87    HD2  PHE   9           HD2      PHE   9  -1.891   0.616  -4.527
   88    HE1  PHE   9           HE1      PHE   9  -6.101   1.041  -7.082
   89    HE2  PHE   9           HE2      PHE   9  -3.068   2.777  -4.598
   90    HZ   PHE   9           HZ       PHE   9  -5.156   2.991  -5.941
   91    H    SER  11           H        SER  11  -3.128  -7.997  -8.090
   92    HA   SER  11           HA       SER  11  -4.727  -6.853  -9.955
   93   1HB   SER  11          1HB       SER  11  -4.342  -9.784  -9.225
   94   2HB   SER  11          2HB       SER  11  -5.112  -9.234 -10.715
   95    HG   SER  11           HG       SER  11  -2.934  -9.572 -11.161
   96    H    ALA  12           H        ALA  12  -5.900  -9.023  -7.354
   97    HA   ALA  12           HA       ALA  12  -8.670  -8.414  -8.188
   98   1HB   ALA  12          1HB       ALA  12  -8.013 -10.785  -7.935
   99   2HB   ALA  12          2HB       ALA  12  -7.525 -10.486  -6.255
  100   3HB   ALA  12          3HB       ALA  12  -9.241 -10.347  -6.723
  101    H    GLY  13           H        GLY  13  -6.460  -7.721  -5.563
  102   1HA   GLY  13          1HA       GLY  13  -8.232  -5.807  -4.430
  103   2HA   GLY  13          2HA       GLY  13  -6.608  -6.272  -3.874
  104    H    MET  14           H        MET  14  -7.331  -9.115  -3.500
  105    HA   MET  14           HA       MET  14  -9.207  -8.812  -1.261
  106   1HB   MET  14          1HB       MET  14  -9.884 -11.145  -1.532
  107   2HB   MET  14          2HB       MET  14 -10.180 -10.209  -3.002
  108   1HG   MET  14          1HG       MET  14  -8.308 -11.209  -4.109
  109   2HG   MET  14          2HG       MET  14  -7.746 -11.956  -2.593
  110   1HE   MET  14          1HE       MET  14  -7.766 -13.899  -4.861
  111   2HE   MET  14          2HE       MET  14  -7.632 -14.418  -3.165
  112   3HE   MET  14          3HE       MET  14  -8.749 -15.255  -4.261
  113    H    SER  15           H        SER  15  -6.153 -10.597  -2.146
  114    HA   SER  15           HA       SER  15  -5.911 -11.809   0.375
  115   1HB   SER  15          1HB       SER  15  -3.806 -11.169  -1.737
  116   2HB   SER  15          2HB       SER  15  -3.579 -12.248  -0.348
  117    HG   SER  15           HG       SER  15  -4.205 -13.384  -2.270
  118    H    THR  16           H        THR  16  -4.971  -8.603  -0.789
  119    HA   THR  16           HA       THR  16  -3.176  -7.857   1.240
  120    HB   THR  16           HB       THR  16  -4.049  -5.537   0.527
  121    HG1  THR  16           HG1      THR  16  -5.222  -5.674  -1.537
  122   1HG2  THR  16          1HG2      THR  16  -2.825  -7.401  -1.550
  123   2HG2  THR  16          2HG2      THR  16  -2.802  -5.620  -1.604
  124   3HG2  THR  16          3HG2      THR  16  -1.951  -6.478  -0.302
  125    H    SER  17           H        SER  17  -6.690  -8.243   1.401
  126    HA   SER  17           HA       SER  17  -7.303  -6.101   2.989
  127   1HB   SER  17          1HB       SER  17  -9.398  -7.268   3.471
  128   2HB   SER  17          2HB       SER  17  -8.924  -7.545   1.776
  129    HG   SER  17           HG       SER  17  -9.545  -9.534   2.740
  130    H    LEU  18           H        LEU  18  -6.233  -9.324   4.025
  131    HA   LEU  18           HA       LEU  18  -6.678  -8.890   6.799
  132   1HB   LEU  18          1HB       LEU  18  -6.440 -11.176   5.911
  133   2HB   LEU  18          2HB       LEU  18  -4.796 -10.823   5.352
  134    HG   LEU  18           HG       LEU  18  -4.110 -10.460   7.674
  135   1HD1  LEU  18          1HD1      LEU  18  -6.826 -11.661   8.368
  136   2HD1  LEU  18          2HD1      LEU  18  -5.478 -11.435   9.503
  137   3HD1  LEU  18          3HD1      LEU  18  -6.258 -10.018   8.772
  138   1HD2  LEU  18          1HD2      LEU  18  -5.270 -13.195   6.979
  139   2HD2  LEU  18          2HD2      LEU  18  -3.665 -12.581   6.519
  140   3HD2  LEU  18          3HD2      LEU  18  -4.043 -12.899   8.226
  141    H    LEU  19           H        LEU  19  -3.750  -8.459   4.798
  142    HA   LEU  19           HA       LEU  19  -2.087  -7.600   6.873
  143   1HB   LEU  19          1HB       LEU  19  -1.573  -8.340   4.424
  144   2HB   LEU  19          2HB       LEU  19  -2.028  -6.708   3.958
  145    HG   LEU  19           HG       LEU  19   0.031  -6.985   6.142
  146   1HD1  LEU  19          1HD1      LEU  19   0.605  -7.457   3.191
  147   2HD1  LEU  19          2HD1      LEU  19   1.814  -7.267   4.490
  148   3HD1  LEU  19          3HD1      LEU  19   0.728  -8.679   4.485
  149   1HD2  LEU  19          1HD2      LEU  19  -0.735  -4.764   5.359
  150   2HD2  LEU  19          2HD2      LEU  19   0.987  -5.036   5.008
  151   3HD2  LEU  19          3HD2      LEU  19  -0.216  -5.174   3.702
  152    H    VAL  20           H        VAL  20  -4.298  -5.765   4.739
  153    HA   VAL  20           HA       VAL  20  -3.755  -3.186   5.647
  154    HB   VAL  20           HB       VAL  20  -6.230  -4.525   4.598
  155   1HG1  VAL  20          1HG1      VAL  20  -5.734  -1.522   4.858
  156   2HG1  VAL  20          2HG1      VAL  20  -7.075  -2.267   3.958
  157   3HG1  VAL  20          3HG1      VAL  20  -6.966  -2.475   5.722
  158   1HG2  VAL  20          1HG2      VAL  20  -4.155  -2.672   3.323
  159   2HG2  VAL  20          2HG2      VAL  20  -4.315  -4.420   3.018
  160   3HG2  VAL  20          3HG2      VAL  20  -5.600  -3.299   2.485
  161    H    SER  21           H        SER  21  -6.195  -5.619   6.778
  162    HA   SER  21           HA       SER  21  -7.340  -4.110   8.699
  163   1HB   SER  21          1HB       SER  21  -8.151  -6.302   7.850
  164   2HB   SER  21          2HB       SER  21  -6.856  -7.127   8.751
  165    HG   SER  21           HG       SER  21  -8.902  -7.113   9.941
  166    H    LYS  22           H        LYS  22  -4.434  -6.174   8.962
  167    HA   LYS  22           HA       LYS  22  -4.062  -5.856  11.763
  168   1HB   LYS  22          1HB       LYS  22  -2.153  -6.575   9.488
  169   2HB   LYS  22          2HB       LYS  22  -1.621  -6.485  11.162
  170   1HG   LYS  22          1HG       LYS  22  -3.415  -8.230  11.741
  171   2HG   LYS  22          2HG       LYS  22  -3.623  -8.429   9.931
  172   1HD   LYS  22          1HD       LYS  22  -1.379  -9.005   9.742
  173   2HD   LYS  22          2HD       LYS  22  -1.161  -8.750  11.544
  174   1HE   LYS  22          1HE       LYS  22  -3.056 -10.820  10.338
  175   2HE   LYS  22          2HE       LYS  22  -1.410 -11.210  10.863
  176   1HZ   LYS  22          1HZ       LYS  22  -3.509 -10.056  12.546
  177   2HZ   LYS  22          2HZ       LYS  22  -3.031 -11.616  12.556
  178   3HZ   LYS  22          3HZ       LYS  22  -2.001 -10.444  13.036
  179    H    MET  23           H        MET  23  -2.632  -4.061   9.025
  180    HA   MET  23           HA       MET  23  -1.218  -2.387  10.846
  181   1HB   MET  23          1HB       MET  23  -0.701  -0.934   8.924
  182   2HB   MET  23          2HB       MET  23  -0.121  -2.593   8.833
  183   1HG   MET  23          1HG       MET  23  -2.142  -3.107   7.377
  184   2HG   MET  23          2HG       MET  23  -2.437  -1.364   7.280
  185   1HE   MET  23          1HE       MET  23   0.359   0.044   6.855
  186   2HE   MET  23          2HE       MET  23   0.657  -0.186   5.126
  187   3HE   MET  23          3HE       MET  23  -0.976   0.252   5.693
  188    H    ARG  24           H        ARG  24  -4.468  -2.215   9.602
  189    HA   ARG  24           HA       ARG  24  -4.958   0.477  10.411
  190   1HB   ARG  24          1HB       ARG  24  -6.686  -1.979  10.012
  191   2HB   ARG  24          2HB       ARG  24  -7.371  -0.568  10.819
  192   1HG   ARG  24          1HG       ARG  24  -6.686   0.790   8.770
  193   2HG   ARG  24          2HG       ARG  24  -6.383  -0.754   7.959
  194   1HD   ARG  24          1HD       ARG  24  -8.734  -1.499   8.586
  195   2HD   ARG  24          2HD       ARG  24  -9.013   0.073   9.297
  196    HE   ARG  24           HE       ARG  24  -8.678   0.988   6.984
  197   1HH1  ARG  24          1HH1      ARG  24  -9.433  -2.460   7.293
  198   2HH1  ARG  24          2HH1      ARG  24 -10.191  -2.558   5.737
  199   1HH2  ARG  24          1HH2      ARG  24  -9.904   0.860   5.027
  200   2HH2  ARG  24          2HH2      ARG  24 -10.464  -0.663   4.470
  201    H    ALA  25           H        ALA  25  -5.358  -2.681  12.122
  202    HA   ALA  25           HA       ALA  25  -6.285  -1.583  14.489
  203   1HB   ALA  25          1HB       ALA  25  -6.493  -3.976  13.777
  204   2HB   ALA  25          2HB       ALA  25  -4.741  -4.156  13.822
  205   3HB   ALA  25          3HB       ALA  25  -5.636  -3.909  15.344
  206    H    GLN  26           H        GLN  26  -3.005  -2.291  13.378
  207    HA   GLN  26           HA       GLN  26  -1.698  -1.491  15.824
  208   1HB   GLN  26          1HB       GLN  26  -0.780  -1.980  12.938
  209   2HB   GLN  26          2HB       GLN  26   0.339  -1.521  14.222
  210   1HG   GLN  26          1HG       GLN  26   0.037  -3.542  15.387
  211   2HG   GLN  26          2HG       GLN  26  -1.520  -3.882  14.640
  212   2HE2  GLN  26          2HE2      GLN  26   1.108  -5.469  14.907
  213   1HE2  GLN  26          1HE2      GLN  26   1.428  -5.944  13.257
  214    H    ALA  27           H        ALA  27  -2.639   0.265  12.852
  215    HA   ALA  27           HA       ALA  27  -1.351   2.697  13.568
  216   1HB   ALA  27          1HB       ALA  27  -2.367   2.239  11.295
  217   2HB   ALA  27          2HB       ALA  27  -3.958   2.157  12.071
  218   3HB   ALA  27          3HB       ALA  27  -3.056   3.696  12.053
  219    H    GLU  28           H        GLU  28  -4.480   1.222  14.576
  220    HA   GLU  28           HA       GLU  28  -5.324   3.493  16.022
  221   1HB   GLU  28          1HB       GLU  28  -6.003   0.538  16.026
  222   2HB   GLU  28          2HB       GLU  28  -6.804   1.684  17.136
  223   1HG   GLU  28          1HG       GLU  28  -7.644   2.969  15.230
  224   2HG   GLU  28          2HG       GLU  28  -6.765   1.914  14.094
  225    H    LYS  29           H        LYS  29  -3.534   0.542  16.922
  226    HA   LYS  29           HA       LYS  29  -3.450   0.967  19.698
  227   1HB   LYS  29          1HB       LYS  29  -2.948  -1.153  18.477
  228   2HB   LYS  29          2HB       LYS  29  -1.473  -0.447  17.867
  229   1HG   LYS  29          1HG       LYS  29  -0.581  -0.213  20.167
  230   2HG   LYS  29          2HG       LYS  29  -2.120  -0.775  20.841
  231   1HD   LYS  29          1HD       LYS  29  -1.794  -2.967  19.790
  232   2HD   LYS  29          2HD       LYS  29  -0.256  -2.405  19.086
  233   1HE   LYS  29          1HE       LYS  29   0.179  -3.739  21.090
  234   2HE   LYS  29          2HE       LYS  29   0.637  -2.059  21.398
  235   1HZ   LYS  29          1HZ       LYS  29  -1.871  -3.325  22.219
  236   2HZ   LYS  29          2HZ       LYS  29  -0.607  -2.974  23.192
  237   3HZ   LYS  29          3HZ       LYS  29  -1.461  -1.771  22.495
  238    H    TYR  30           H        TYR  30  -1.171   1.964  17.114
  239    HA   TYR  30           HA       TYR  30   0.449   3.405  19.095
  240   1HB   TYR  30          1HB       TYR  30   0.930   2.722  16.174
  241   2HB   TYR  30          2HB       TYR  30   2.061   3.583  17.197
  242    HD1  TYR  30           HD1      TYR  30   2.524   2.193  19.590
  243    HD2  TYR  30           HD2      TYR  30   1.259   0.492  15.847
  244    HE1  TYR  30           HE1      TYR  30   3.128  -0.026  20.401
  245    HE2  TYR  30           HE2      TYR  30   1.813  -1.732  16.649
  246    HH   TYR  30           HH       TYR  30   2.662  -2.930  18.319
  247    H    GLU  31           H        GLU  31  -2.263   4.279  18.096
  248    HA   GLU  31           HA       GLU  31  -3.326   5.877  17.039
  249   1HB   GLU  31          1HB       GLU  31  -3.223   7.883  18.448
  250   2HB   GLU  31          2HB       GLU  31  -3.377   6.343  19.297
  251   1HG   GLU  31          1HG       GLU  31  -0.806   6.467  19.544
  252   2HG   GLU  31          2HG       GLU  31  -1.012   8.192  19.177
  253    H    VAL  32           H        VAL  32  -2.204   5.560  15.047
  254    HA   VAL  32           HA       VAL  32  -0.769   7.938  14.047
  255    HB   VAL  32           HB       VAL  32  -1.056   5.180  12.843
  256   1HG1  VAL  32          1HG1      VAL  32   0.875   7.472  12.241
  257   2HG1  VAL  32          2HG1      VAL  32   0.913   5.876  11.468
  258   3HG1  VAL  32          3HG1      VAL  32  -0.479   6.955  11.210
  259   1HG2  VAL  32          1HG2      VAL  32   1.309   6.217  14.440
  260   2HG2  VAL  32          2HG2      VAL  32   0.203   4.891  14.885
  261   3HG2  VAL  32          3HG2      VAL  32   1.268   4.716  13.481
  262    HA   PRO  33           HA       PRO  33  -4.835   8.369  12.161
  263   1HB   PRO  33          1HB       PRO  33  -4.665  11.008  11.429
  264   2HB   PRO  33          2HB       PRO  33  -5.003  10.502  13.101
  265   1HG   PRO  33          1HG       PRO  33  -2.336  11.309  11.860
  266   2HG   PRO  33          2HG       PRO  33  -3.021  11.802  13.436
  267   1HD   PRO  33          1HD       PRO  33  -1.173   9.796  13.211
  268   2HD   PRO  33          2HD       PRO  33  -2.448   9.759  14.459
  269    H    VAL  34           H        VAL  34  -4.403   6.911  10.567
  270    HA   VAL  34           HA       VAL  34  -3.875   8.047   7.901
  271    HB   VAL  34           HB       VAL  34  -2.696   5.985   7.310
  272   1HG1  VAL  34          1HG1      VAL  34  -1.356   7.805   9.333
  273   2HG1  VAL  34          2HG1      VAL  34  -0.513   6.712   8.210
  274   3HG1  VAL  34          3HG1      VAL  34  -1.490   8.054   7.573
  275   1HG2  VAL  34          1HG2      VAL  34  -2.402   5.617  10.325
  276   2HG2  VAL  34          2HG2      VAL  34  -3.233   4.509   9.209
  277   3HG2  VAL  34          3HG2      VAL  34  -1.477   4.739   9.086
  278    H    ILE  35           H        ILE  35  -4.778   7.076   6.199
  279    HA   ILE  35           HA       ILE  35  -7.019   5.222   6.750
  280    HB   ILE  35           HB       ILE  35  -6.692   7.315   4.582
  281   1HG1  ILE  35          1HG1      ILE  35  -8.812   7.056   6.728
  282   2HG1  ILE  35          2HG1      ILE  35  -7.337   8.008   6.949
  283   1HG2  ILE  35          1HG2      ILE  35  -7.808   5.310   3.678
  284   2HG2  ILE  35          2HG2      ILE  35  -8.968   5.336   5.025
  285   3HG2  ILE  35          3HG2      ILE  35  -8.955   6.658   3.840
  286   1HD1  ILE  35          1HD1      ILE  35  -8.003   9.470   5.056
  287   2HD1  ILE  35          2HD1      ILE  35  -9.487   8.510   4.860
  288   3HD1  ILE  35          3HD1      ILE  35  -9.230   9.442   6.344
  289    H    ILE  36           H        ILE  36  -6.444   3.244   6.341
  290    HA   ILE  36           HA       ILE  36  -4.605   2.702   4.087
  291    HB   ILE  36           HB       ILE  36  -5.102   0.986   6.539
  292   1HG1  ILE  36          1HG1      ILE  36  -2.569   2.581   6.058
  293   2HG1  ILE  36          2HG1      ILE  36  -3.963   3.286   6.883
  294   1HG2  ILE  36          1HG2      ILE  36  -4.348  -0.229   4.537
  295   2HG2  ILE  36          2HG2      ILE  36  -2.976   0.876   4.356
  296   3HG2  ILE  36          3HG2      ILE  36  -3.080  -0.195   5.781
  297   1HD1  ILE  36          1HD1      ILE  36  -3.871   1.510   8.593
  298   2HD1  ILE  36          2HD1      ILE  36  -2.473   0.776   7.771
  299   3HD1  ILE  36          3HD1      ILE  36  -2.332   2.389   8.494
  300    H    GLU  37           H        GLU  37  -5.654   1.947   2.383
  301    HA   GLU  37           HA       GLU  37  -7.928   0.075   2.700
  302   1HB   GLU  37          1HB       GLU  37  -7.804   2.399   0.760
  303   2HB   GLU  37          2HB       GLU  37  -9.088   1.193   0.865
  304   1HG   GLU  37          1HG       GLU  37  -9.662   1.972   3.160
  305   2HG   GLU  37          2HG       GLU  37  -8.437   3.251   3.008
  306    H    ALA  38           H        ALA  38  -8.316  -1.306   1.006
  307    HA   ALA  38           HA       ALA  38  -6.019  -1.680  -0.816
  308   1HB   ALA  38          1HB       ALA  38  -7.943  -3.761   0.340
  309   2HB   ALA  38          2HB       ALA  38  -6.628  -4.101  -0.803
  310   3HB   ALA  38          3HB       ALA  38  -6.248  -3.518   0.829
  311    H    PHE  39           H        PHE  39  -6.320  -2.042  -2.946
  312    HA   PHE  39           HA       PHE  39  -9.035  -2.124  -4.028
  313   1HB   PHE  39          1HB       PHE  39  -6.848  -0.170  -4.809
  314   2HB   PHE  39          2HB       PHE  39  -8.348  -0.392  -5.706
  315    HD1  PHE  39           HD1      PHE  39  -6.771   1.268  -2.866
  316    HD2  PHE  39           HD2      PHE  39 -10.552   0.231  -4.647
  317    HE1  PHE  39           HE1      PHE  39  -7.886   3.002  -1.533
  318    HE2  PHE  39           HE2      PHE  39 -11.662   1.927  -3.251
  319    HZ   PHE  39           HZ       PHE  39 -10.317   3.299  -1.688
  320    HA   PRO  40           HA       PRO  40  -6.920  -4.637  -7.194
  321   1HB   PRO  40          1HB       PRO  40  -8.786  -4.255  -9.246
  322   2HB   PRO  40          2HB       PRO  40  -8.857  -5.565  -8.038
  323   1HG   PRO  40          1HG       PRO  40 -10.355  -2.973  -8.140
  324   2HG   PRO  40          2HG       PRO  40 -10.839  -4.590  -7.517
  325   1HD   PRO  40          1HD       PRO  40 -10.126  -2.523  -5.846
  326   2HD   PRO  40          2HD       PRO  40  -9.842  -4.230  -5.424
  327    H    GLU  41           H        GLU  41  -5.921  -4.369  -9.257
  328    HA   GLU  41           HA       GLU  41  -4.567  -1.912  -9.371
  329   1HB   GLU  41          1HB       GLU  41  -3.162  -2.951 -10.882
  330   2HB   GLU  41          2HB       GLU  41  -3.814  -4.360 -10.039
  331   1HG   GLU  41          1HG       GLU  41  -4.930  -3.363 -12.624
  332   2HG   GLU  41          2HG       GLU  41  -3.518  -4.484 -12.476
  333    H    THR  42           H        THR  42  -7.447  -2.914 -10.958
  334    HA   THR  42           HA       THR  42  -7.578  -1.309 -13.187
  335    HB   THR  42           HB       THR  42 -10.050  -1.309 -12.751
  336    HG1  THR  42           HG1      THR  42 -10.730  -2.614 -10.900
  337   1HG2  THR  42          1HG2      THR  42  -8.648  -3.996 -12.449
  338   2HG2  THR  42          2HG2      THR  42 -10.340  -3.758 -12.942
  339   3HG2  THR  42          3HG2      THR  42  -9.019  -3.155 -13.973
  340    H    LEU  43           H        LEU  43  -7.855  -0.342  -9.863
  341    HA   LEU  43           HA       LEU  43  -8.663   2.396 -10.631
  342   1HB   LEU  43          1HB       LEU  43  -8.663   0.939  -7.978
  343   2HB   LEU  43          2HB       LEU  43  -9.261   2.597  -8.212
  344    HG   LEU  43           HG       LEU  43 -10.426   0.223  -9.696
  345   1HD1  LEU  43          1HD1      LEU  43 -11.389   1.488  -7.109
  346   2HD1  LEU  43          2HD1      LEU  43 -12.259   0.273  -8.082
  347   3HD1  LEU  43          3HD1      LEU  43 -10.724  -0.160  -7.311
  348   1HD2  LEU  43          1HD2      LEU  43 -10.867   2.454 -10.699
  349   2HD2  LEU  43          2HD2      LEU  43 -12.342   1.728 -10.027
  350   3HD2  LEU  43          3HD2      LEU  43 -11.518   3.026  -9.146
  351    H    ALA  44           H        ALA  44  -5.882   1.155 -10.724
  352    HA   ALA  44           HA       ALA  44  -4.335   2.384  -8.743
  353   1HB   ALA  44          1HB       ALA  44  -3.568   1.560 -11.598
  354   2HB   ALA  44          2HB       ALA  44  -2.406   1.877 -10.290
  355   3HB   ALA  44          3HB       ALA  44  -3.507   0.486 -10.191
  356    H    GLY  45           H        GLY  45  -5.179   3.607 -12.014
  357   1HA   GLY  45          1HA       GLY  45  -5.136   5.661 -12.876
  358   2HA   GLY  45          2HA       GLY  45  -3.706   5.998 -11.869
  359    H    GLU  46           H        GLU  46  -7.184   5.346 -11.310
  360    HA   GLU  46           HA       GLU  46  -7.947   7.923 -10.761
  361   1HB   GLU  46          1HB       GLU  46  -9.293   5.845 -11.403
  362   2HB   GLU  46          2HB       GLU  46  -9.202   5.348  -9.709
  363   1HG   GLU  46          1HG       GLU  46 -10.311   7.542  -9.076
  364   2HG   GLU  46          2HG       GLU  46 -10.597   7.807 -10.812
  365    H    LYS  47           H        LYS  47  -7.446   5.264  -8.403
  366    HA   LYS  47           HA       LYS  47  -7.844   7.031  -6.170
  367   1HB   LYS  47          1HB       LYS  47  -7.472   4.121  -6.581
  368   2HB   LYS  47          2HB       LYS  47  -6.805   4.754  -5.073
  369   1HG   LYS  47          1HG       LYS  47  -9.085   4.042  -4.627
  370   2HG   LYS  47          2HG       LYS  47  -9.053   5.784  -4.560
  371   1HD   LYS  47          1HD       LYS  47  -9.880   5.819  -6.962
  372   2HD   LYS  47          2HD       LYS  47 -10.097   4.066  -6.848
  373   1HE   LYS  47          1HE       LYS  47 -12.233   5.107  -6.364
  374   2HE   LYS  47          2HE       LYS  47 -11.592   4.484  -4.826
  375   1HZ   LYS  47          1HZ       LYS  47 -10.791   6.670  -4.367
  376   2HZ   LYS  47          2HZ       LYS  47 -11.382   7.228  -5.791
  377   3HZ   LYS  47          3HZ       LYS  47 -12.404   6.699  -4.629
  378    H    GLY  48           H        GLY  48  -5.015   5.714  -7.836
  379   1HA   GLY  48          1HA       GLY  48  -2.849   6.175  -7.724
  380   2HA   GLY  48          2HA       GLY  48  -3.027   6.234  -5.949
  381    H    GLN  49           H        GLN  49  -4.738   8.390  -8.168
  382    HA   GLN  49           HA       GLN  49  -3.156  10.639  -8.116
  383   1HB   GLN  49          1HB       GLN  49  -6.138  10.178  -8.357
  384   2HB   GLN  49          2HB       GLN  49  -5.436  11.807  -8.473
  385   1HG   GLN  49          1HG       GLN  49  -4.151  11.208 -10.403
  386   2HG   GLN  49          2HG       GLN  49  -4.478   9.479 -10.149
  387   2HE2  GLN  49          2HE2      GLN  49  -5.179   9.483 -12.431
  388   1HE2  GLN  49          1HE2      GLN  49  -6.821  10.012 -12.758
  389    H    ASN  50           H        ASN  50  -5.224   9.345  -5.591
  390    HA   ASN  50           HA       ASN  50  -4.973  11.833  -4.027
  391   1HB   ASN  50          1HB       ASN  50  -7.060   9.619  -3.988
  392   2HB   ASN  50          2HB       ASN  50  -6.975  10.913  -2.781
  393   2HD2  ASN  50          2HD2      ASN  50  -7.781  10.084  -6.154
  394   1HD2  ASN  50          1HD2      ASN  50  -8.474  11.648  -6.512
  395    H    ALA  51           H        ALA  51  -3.354   9.034  -4.293
  396    HA   ALA  51           HA       ALA  51  -3.209   8.413  -1.436
  397   1HB   ALA  51          1HB       ALA  51  -3.182   6.568  -3.069
  398   2HB   ALA  51          2HB       ALA  51  -1.741   7.274  -3.853
  399   3HB   ALA  51          3HB       ALA  51  -1.634   6.666  -2.186
  400    H    ASP  52           H        ASP  52  -1.522   8.929  -0.132
  401    HA   ASP  52           HA       ASP  52   0.529  10.741  -1.094
  402   1HB   ASP  52          1HB       ASP  52  -0.066   9.640   1.687
  403   2HB   ASP  52          2HB       ASP  52   1.237  10.779   1.303
  404    H    VAL  53           H        VAL  53   0.284   7.290  -0.046
  405    HA   VAL  53           HA       VAL  53   2.604   6.904  -1.745
  406    HB   VAL  53           HB       VAL  53   3.422   6.950   0.575
  407   1HG1  VAL  53          1HG1      VAL  53   1.733   4.513   1.026
  408   2HG1  VAL  53          2HG1      VAL  53   3.064   5.136   2.066
  409   3HG1  VAL  53          3HG1      VAL  53   1.606   6.146   1.760
  410   1HG2  VAL  53          1HG2      VAL  53   3.571   4.268  -0.891
  411   2HG2  VAL  53          2HG2      VAL  53   4.611   5.642  -1.204
  412   3HG2  VAL  53          3HG2      VAL  53   4.699   4.817   0.384
  413    H    VAL  54           H        VAL  54   2.413   5.167  -3.021
  414    HA   VAL  54           HA       VAL  54   0.026   3.421  -2.791
  415    HB   VAL  54           HB       VAL  54   1.857   4.098  -5.101
  416   1HG1  VAL  54          1HG1      VAL  54  -0.723   2.461  -5.067
  417   2HG1  VAL  54          2HG1      VAL  54   0.162   2.923  -6.537
  418   3HG1  VAL  54          3HG1      VAL  54   0.909   1.823  -5.355
  419   1HG2  VAL  54          1HG2      VAL  54  -1.034   4.921  -4.598
  420   2HG2  VAL  54          2HG2      VAL  54   0.386   5.987  -4.577
  421   3HG2  VAL  54          3HG2      VAL  54  -0.129   5.223  -6.106
  422    H    LEU  55           H        LEU  55   0.381   1.431  -2.169
  423    HA   LEU  55           HA       LEU  55   3.075   0.284  -2.485
  424   1HB   LEU  55          1HB       LEU  55   0.895  -0.174  -0.406
  425   2HB   LEU  55          2HB       LEU  55   2.210  -1.331  -0.632
  426    HG   LEU  55           HG       LEU  55   2.737   1.629  -0.110
  427   1HD1  LEU  55          1HD1      LEU  55   1.389   0.599   1.789
  428   2HD1  LEU  55          2HD1      LEU  55   2.587  -0.709   1.888
  429   3HD1  LEU  55          3HD1      LEU  55   3.065   0.955   2.270
  430   1HD2  LEU  55          1HD2      LEU  55   4.504  -0.782   0.235
  431   2HD2  LEU  55          2HD2      LEU  55   4.565   0.481  -1.048
  432   3HD2  LEU  55          3HD2      LEU  55   4.849   0.930   0.651
  433    H    LEU  56           H        LEU  56   3.377  -1.528  -3.487
  434    HA   LEU  56           HA       LEU  56   1.061  -2.853  -4.747
  435   1HB   LEU  56          1HB       LEU  56   3.919  -2.293  -5.602
  436   2HB   LEU  56          2HB       LEU  56   3.119  -3.723  -6.238
  437    HG   LEU  56           HG       LEU  56   1.283  -2.269  -7.120
  438   1HD1  LEU  56          1HD1      LEU  56   1.584  -0.281  -5.697
  439   2HD1  LEU  56          2HD1      LEU  56   3.178   0.015  -6.445
  440   3HD1  LEU  56          3HD1      LEU  56   1.700   0.131  -7.422
  441   1HD2  LEU  56          1HD2      LEU  56   4.100  -1.702  -8.127
  442   2HD2  LEU  56          2HD2      LEU  56   3.074  -3.086  -8.568
  443   3HD2  LEU  56          3HD2      LEU  56   2.604  -1.441  -9.035
  444    H    GLY  57           H        GLY  57   0.750  -4.968  -4.632
  445   1HA   GLY  57          1HA       GLY  57   1.048  -7.199  -4.258
  446   2HA   GLY  57          2HA       GLY  57   2.094  -6.734  -2.898
  447    HA   PRO  58           HA       PRO  58   5.795  -7.473  -5.171
  448   1HB   PRO  58          1HB       PRO  58   6.352 -10.114  -4.393
  449   2HB   PRO  58          2HB       PRO  58   6.785  -8.657  -3.452
  450   1HG   PRO  58          1HG       PRO  58   4.408 -10.510  -3.154
  451   2HG   PRO  58          2HG       PRO  58   5.411  -9.744  -1.892
  452   1HD   PRO  58          1HD       PRO  58   2.976  -8.715  -2.549
  453   2HD   PRO  58          2HD       PRO  58   4.341  -7.634  -2.143
  454    H    GLN  59           H        GLN  59   3.139  -9.760  -5.491
  455    HA   GLN  59           HA       GLN  59   3.968 -11.039  -7.825
  456   1HB   GLN  59          1HB       GLN  59   1.470 -11.415  -8.166
  457   2HB   GLN  59          2HB       GLN  59   2.169 -12.038  -6.683
  458   1HG   GLN  59          1HG       GLN  59   0.935  -9.304  -6.587
  459   2HG   GLN  59          2HG       GLN  59  -0.143 -10.696  -6.695
  460   2HE2  GLN  59          2HE2      GLN  59  -0.990 -10.167  -4.607
  461   1HE2  GLN  59          1HE2      GLN  59  -0.105 -10.605  -3.199
  462    H    ILE  60           H        ILE  60   2.620  -7.789  -7.469
  463    HA   ILE  60           HA       ILE  60   2.605  -7.650 -10.406
  464    HB   ILE  60           HB       ILE  60   1.126  -5.720 -10.258
  465   1HG1  ILE  60          1HG1      ILE  60   0.339  -6.461  -7.454
  466   2HG1  ILE  60          2HG1      ILE  60   1.670  -5.324  -7.724
  467   1HG2  ILE  60          1HG2      ILE  60   0.045  -8.316  -9.121
  468   2HG2  ILE  60          2HG2      ILE  60  -0.937  -7.021  -9.852
  469   3HG2  ILE  60          3HG2      ILE  60   0.247  -7.896 -10.837
  470   1HD1  ILE  60          1HD1      ILE  60  -1.146  -4.979  -8.828
  471   2HD1  ILE  60          2HD1      ILE  60  -0.439  -4.105  -7.445
  472   3HD1  ILE  60          3HD1      ILE  60   0.219  -3.879  -9.082
  473    H    ALA  61           H        ALA  61   4.876  -7.469  -8.684
  474    HA   ALA  61           HA       ALA  61   5.740  -4.798  -8.461
  475   1HB   ALA  61          1HB       ALA  61   8.002  -5.805  -8.220
  476   2HB   ALA  61          2HB       ALA  61   6.793  -6.674  -7.246
  477   3HB   ALA  61          3HB       ALA  61   7.354  -7.363  -8.798
  478    H    TYR  62           H        TYR  62   5.761  -6.978 -11.214
  479    HA   TYR  62           HA       TYR  62   7.555  -5.558 -12.862
  480   1HB   TYR  62          1HB       TYR  62   6.579  -6.782 -14.677
  481   2HB   TYR  62          2HB       TYR  62   6.789  -7.849 -13.286
  482    HD1  TYR  62           HD1      TYR  62   4.425  -6.369 -15.625
  483    HD2  TYR  62           HD2      TYR  62   4.799  -8.648 -11.986
  484    HE1  TYR  62           HE1      TYR  62   2.069  -7.103 -15.822
  485    HE2  TYR  62           HE2      TYR  62   2.437  -9.301 -12.157
  486    HH   TYR  62           HH       TYR  62   0.551  -9.112 -13.294
  487    H    MET  63           H        MET  63   4.262  -4.765 -11.891
  488    HA   MET  63           HA       MET  63   3.828  -2.919 -14.041
  489   1HB   MET  63          1HB       MET  63   2.455  -3.724 -11.478
  490   2HB   MET  63          2HB       MET  63   1.807  -2.413 -12.523
  491   1HG   MET  63          1HG       MET  63   1.586  -3.964 -14.373
  492   2HG   MET  63          2HG       MET  63   2.366  -5.255 -13.442
  493   1HE   MET  63          1HE       MET  63  -0.784  -2.853 -13.557
  494   2HE   MET  63          2HE       MET  63  -0.836  -4.134 -14.799
  495   3HE   MET  63          3HE       MET  63  -2.032  -4.124 -13.479
  496    H    LEU  64           H        LEU  64   5.760  -2.668 -11.189
  497    HA   LEU  64           HA       LEU  64   5.129  -0.151 -10.283
  498   1HB   LEU  64          1HB       LEU  64   6.603  -1.720  -9.130
  499   2HB   LEU  64          2HB       LEU  64   7.791  -1.614 -10.408
  500    HG   LEU  64           HG       LEU  64   7.814   0.909 -10.001
  501   1HD1  LEU  64          1HD1      LEU  64   5.851   1.055  -8.501
  502   2HD1  LEU  64          2HD1      LEU  64   6.673  -0.002  -7.308
  503   3HD1  LEU  64          3HD1      LEU  64   7.302   1.613  -7.646
  504   1HD2  LEU  64          1HD2      LEU  64   9.029  -0.942  -7.935
  505   2HD2  LEU  64          2HD2      LEU  64   9.714  -0.436  -9.517
  506   3HD2  LEU  64          3HD2      LEU  64   9.480   0.761  -8.226
  507    HA   PRO  65           HA       PRO  65   8.106   1.932 -13.354
  508   1HB   PRO  65          1HB       PRO  65   8.278   0.793 -15.887
  509   2HB   PRO  65          2HB       PRO  65   9.538   0.654 -14.617
  510   1HG   PRO  65          1HG       PRO  65   7.310  -1.269 -15.375
  511   2HG   PRO  65          2HG       PRO  65   9.014  -1.641 -14.984
  512   1HD   PRO  65          1HD       PRO  65   7.040  -1.942 -13.075
  513   2HD   PRO  65          2HD       PRO  65   8.632  -1.306 -12.600
  514    H    GLU  66           H        GLU  66   5.255   0.128 -14.504
  515    HA   GLU  66           HA       GLU  66   4.497   2.182 -16.362
  516   1HB   GLU  66          1HB       GLU  66   4.078  -0.394 -16.434
  517   2HB   GLU  66          2HB       GLU  66   2.763  -0.063 -15.303
  518   1HG   GLU  66          1HG       GLU  66   1.845  -0.144 -17.523
  519   2HG   GLU  66          2HG       GLU  66   1.778   1.536 -16.970
  520    H    ILE  67           H        ILE  67   3.444   1.169 -13.107
  521    HA   ILE  67           HA       ILE  67   1.361   3.132 -12.876
  522    HB   ILE  67           HB       ILE  67   2.771   1.276 -11.011
  523   1HG1  ILE  67          1HG1      ILE  67  -0.074   1.430 -12.091
  524   2HG1  ILE  67          2HG1      ILE  67   1.218   0.489 -12.819
  525   1HG2  ILE  67          1HG2      ILE  67   0.447   3.130 -10.360
  526   2HG2  ILE  67          2HG2      ILE  67   1.021   1.811  -9.301
  527   3HG2  ILE  67          3HG2      ILE  67   2.082   3.195  -9.658
  528   1HD1  ILE  67          1HD1      ILE  67   0.004   0.031 -10.057
  529   2HD1  ILE  67          2HD1      ILE  67  -0.325  -0.927 -11.499
  530   3HD1  ILE  67          3HD1      ILE  67   1.306  -0.951 -10.783
  531    H    GLN  68           H        GLN  68   4.819   3.068 -12.037
  532    HA   GLN  68           HA       GLN  68   4.939   5.543 -10.754
  533   1HB   GLN  68          1HB       GLN  68   6.729   3.567 -11.621
  534   2HB   GLN  68          2HB       GLN  68   7.181   4.993 -12.580
  535   1HG   GLN  68          1HG       GLN  68   7.008   4.812  -9.559
  536   2HG   GLN  68          2HG       GLN  68   8.493   4.858 -10.517
  537   2HE2  GLN  68          2HE2      GLN  68   6.829   6.651  -8.463
  538   1HE2  GLN  68          1HE2      GLN  68   7.091   8.249  -9.139
  539    H    ARG  69           H        ARG  69   5.084   4.685 -14.234
  540    HA   ARG  69           HA       ARG  69   5.568   7.201 -15.318
  541   1HB   ARG  69          1HB       ARG  69   5.754   4.857 -16.172
  542   2HB   ARG  69          2HB       ARG  69   4.011   4.883 -16.466
  543   1HG   ARG  69          1HG       ARG  69   5.781   7.010 -17.683
  544   2HG   ARG  69          2HG       ARG  69   5.623   5.425 -18.463
  545   1HD   ARG  69          1HD       ARG  69   3.102   5.794 -18.416
  546   2HD   ARG  69          2HD       ARG  69   3.465   7.475 -17.951
  547    HE   ARG  69           HE       ARG  69   4.851   7.574 -20.027
  548   1HH1  ARG  69          1HH1      ARG  69   2.284   5.112 -19.895
  549   2HH1  ARG  69          2HH1      ARG  69   2.117   5.006 -21.606
  550   1HH2  ARG  69          1HH2      ARG  69   4.684   7.299 -22.319
  551   2HH2  ARG  69          2HH2      ARG  69   3.485   6.239 -22.961
  552    H    LEU  70           H        LEU  70   2.495   5.410 -14.632
  553    HA   LEU  70           HA       LEU  70   0.623   7.283 -15.525
  554   1HB   LEU  70          1HB       LEU  70   0.753   5.042 -13.560
  555   2HB   LEU  70          2HB       LEU  70  -0.712   6.116 -13.552
  556    HG   LEU  70           HG       LEU  70   0.438   4.717 -15.921
  557   1HD1  LEU  70          1HD1      LEU  70  -1.738   3.713 -14.016
  558   2HD1  LEU  70          2HD1      LEU  70  -1.364   2.944 -15.568
  559   3HD1  LEU  70          3HD1      LEU  70  -0.145   2.969 -14.283
  560   1HD2  LEU  70          1HD2      LEU  70  -1.284   6.559 -16.355
  561   2HD2  LEU  70          2HD2      LEU  70  -1.993   4.979 -16.784
  562   3HD2  LEU  70          3HD2      LEU  70  -2.394   5.738 -15.240
  563    H    LEU  71           H        LEU  71   2.223   6.881 -12.368
  564    HA   LEU  71           HA       LEU  71   1.052   9.420 -11.384
  565   1HB   LEU  71          1HB       LEU  71   1.768   6.950  -9.798
  566   2HB   LEU  71          2HB       LEU  71   0.941   8.397  -9.197
  567    HG   LEU  71           HG       LEU  71  -0.278   6.709 -11.383
  568   1HD1  LEU  71          1HD1      LEU  71  -0.571   6.296  -8.378
  569   2HD1  LEU  71          2HD1      LEU  71  -1.526   5.481  -9.649
  570   3HD1  LEU  71          3HD1      LEU  71   0.209   5.173  -9.513
  571   1HD2  LEU  71          1HD2      LEU  71  -1.288   8.904 -11.004
  572   2HD2  LEU  71          2HD2      LEU  71  -2.385   7.589 -10.533
  573   3HD2  LEU  71          3HD2      LEU  71  -1.543   8.521  -9.282
  574    HA   PRO  72           HA       PRO  72   5.637   9.573 -11.167
  575   1HB   PRO  72          1HB       PRO  72   6.039  12.049 -12.326
  576   2HB   PRO  72          2HB       PRO  72   5.937  10.540 -13.276
  577   1HG   PRO  72          1HG       PRO  72   3.791  12.635 -12.760
  578   2HG   PRO  72          2HG       PRO  72   4.168  11.778 -14.266
  579   1HD   PRO  72          1HD       PRO  72   2.093  10.951 -12.637
  580   2HD   PRO  72          2HD       PRO  72   3.045   9.797 -13.582
  581    H    ASN  73           H        ASN  73   3.219  11.953 -10.296
  582    HA   ASN  73           HA       ASN  73   4.954  13.347  -8.454
  583   1HB   ASN  73          1HB       ASN  73   1.963  13.403  -8.935
  584   2HB   ASN  73          2HB       ASN  73   2.775  14.440  -7.756
  585   2HD2  ASN  73          2HD2      ASN  73   1.268  15.054 -10.386
  586   1HD2  ASN  73          1HD2      ASN  73   2.458  16.018 -11.236
  587    H    LYS  74           H        LYS  74   3.993  10.271  -8.145
  588    HA   LYS  74           HA       LYS  74   3.313  10.530  -5.303
  589   1HB   LYS  74          1HB       LYS  74   2.357   8.432  -7.268
  590   2HB   LYS  74          2HB       LYS  74   1.933   8.476  -5.553
  591   1HG   LYS  74          1HG       LYS  74   1.063  10.493  -7.667
  592   2HG   LYS  74          2HG       LYS  74   0.050   9.269  -6.881
  593   1HD   LYS  74          1HD       LYS  74   0.374  10.382  -4.711
  594   2HD   LYS  74          2HD       LYS  74   1.400  11.605  -5.485
  595   1HE   LYS  74          1HE       LYS  74  -0.536  12.270  -6.943
  596   2HE   LYS  74          2HE       LYS  74  -1.554  11.112  -6.093
  597   1HZ   LYS  74          1HZ       LYS  74  -1.063  12.251  -4.057
  598   2HZ   LYS  74          2HZ       LYS  74  -0.125  13.334  -4.834
  599   3HZ   LYS  74          3HZ       LYS  74  -1.732  13.269  -5.145
  600    HA   PRO  75           HA       PRO  75   6.755   7.580  -4.976
  601   1HB   PRO  75          1HB       PRO  75   6.569   7.088  -2.314
  602   2HB   PRO  75          2HB       PRO  75   7.374   8.528  -2.980
  603   1HG   PRO  75          1HG       PRO  75   4.539   8.291  -1.857
  604   2HG   PRO  75          2HG       PRO  75   5.723   9.588  -1.588
  605   1HD   PRO  75          1HD       PRO  75   3.695   9.819  -3.414
  606   2HD   PRO  75          2HD       PRO  75   5.285  10.569  -3.723
  607    H    VAL  76           H        VAL  76   6.519   5.693  -5.774
  608    HA   VAL  76           HA       VAL  76   4.336   3.994  -4.787
  609    HB   VAL  76           HB       VAL  76   5.505   4.142  -7.621
  610   1HG1  VAL  76          1HG1      VAL  76   3.057   2.672  -6.554
  611   2HG1  VAL  76          2HG1      VAL  76   3.569   2.724  -8.263
  612   3HG1  VAL  76          3HG1      VAL  76   4.593   1.918  -7.045
  613   1HG2  VAL  76          1HG2      VAL  76   4.176   6.156  -7.222
  614   2HG2  VAL  76          2HG2      VAL  76   3.374   5.072  -8.385
  615   3HG2  VAL  76          3HG2      VAL  76   2.800   5.148  -6.694
  616    H    GLU  77           H        GLU  77   5.027   2.373  -3.764
  617    HA   GLU  77           HA       GLU  77   7.697   1.215  -4.287
  618   1HB   GLU  77          1HB       GLU  77   6.225   1.856  -1.689
  619   2HB   GLU  77          2HB       GLU  77   7.578   0.728  -1.744
  620   1HG   GLU  77          1HG       GLU  77   7.931   3.525  -2.815
  621   2HG   GLU  77          2HG       GLU  77   7.977   3.226  -1.067
  622    H    VAL  78           H        VAL  78   7.983  -0.979  -3.702
  623    HA   VAL  78           HA       VAL  78   5.514  -2.587  -3.845
  624    HB   VAL  78           HB       VAL  78   8.405  -3.233  -4.348
  625   1HG1  VAL  78          1HG1      VAL  78   5.904  -4.980  -4.776
  626   2HG1  VAL  78          2HG1      VAL  78   7.532  -5.422  -5.295
  627   3HG1  VAL  78          3HG1      VAL  78   7.162  -5.282  -3.562
  628   1HG2  VAL  78          1HG2      VAL  78   6.095  -2.962  -6.302
  629   2HG2  VAL  78          2HG2      VAL  78   7.510  -1.884  -6.104
  630   3HG2  VAL  78          3HG2      VAL  78   7.720  -3.556  -6.695
  631    H    ILE  79           H        ILE  79   4.976  -3.948  -2.173
  632    HA   ILE  79           HA       ILE  79   6.192  -3.728   0.433
  633    HB   ILE  79           HB       ILE  79   4.201  -5.726  -0.685
  634   1HG1  ILE  79          1HG1      ILE  79   3.542  -3.349   1.068
  635   2HG1  ILE  79          2HG1      ILE  79   3.664  -3.147  -0.673
  636   1HG2  ILE  79          1HG2      ILE  79   5.266  -6.514   1.361
  637   2HG2  ILE  79          2HG2      ILE  79   4.869  -5.000   2.193
  638   3HG2  ILE  79          3HG2      ILE  79   3.563  -6.091   1.658
  639   1HD1  ILE  79          1HD1      ILE  79   1.768  -5.062   0.770
  640   2HD1  ILE  79          2HD1      ILE  79   1.311  -3.527   0.031
  641   3HD1  ILE  79          3HD1      ILE  79   1.878  -4.862  -0.992
  642    H    ASP  80           H        ASP  80   7.839  -4.780   1.215
  643    HA   ASP  80           HA       ASP  80   9.458  -6.618  -0.124
  644   1HB   ASP  80          1HB       ASP  80  10.140  -5.241   1.801
  645   2HB   ASP  80          2HB       ASP  80   9.037  -6.158   2.852
  646    H    SER  81           H        SER  81   9.335  -8.629  -0.582
  647    HA   SER  81           HA       SER  81   7.095 -10.072  -0.413
  648   1HB   SER  81          1HB       SER  81   9.947 -11.082  -0.732
  649   2HB   SER  81          2HB       SER  81   8.495 -12.040  -1.118
  650    HG   SER  81           HG       SER  81   9.354 -10.927  -2.989
  651    H    LEU  82           H        LEU  82   9.794 -10.150   1.958
  652    HA   LEU  82           HA       LEU  82   8.979 -12.493   3.332
  653   1HB   LEU  82          1HB       LEU  82  11.229 -11.760   3.238
  654   2HB   LEU  82          2HB       LEU  82  10.817 -10.170   3.902
  655    HG   LEU  82           HG       LEU  82  10.106 -11.269   6.015
  656   1HD1  LEU  82          1HD1      LEU  82  11.396 -13.763   4.814
  657   2HD1  LEU  82          2HD1      LEU  82  10.871 -13.588   6.502
  658   3HD1  LEU  82          3HD1      LEU  82   9.667 -13.566   5.207
  659   1HD2  LEU  82          1HD2      LEU  82  12.991 -11.774   5.192
  660   2HD2  LEU  82          2HD2      LEU  82  12.322 -10.269   5.879
  661   3HD2  LEU  82          3HD2      LEU  82  12.386 -11.746   6.860
  662    H    LEU  83           H        LEU  83   8.614  -8.925   4.012
  663    HA   LEU  83           HA       LEU  83   7.150  -9.175   6.349
  664   1HB   LEU  83          1HB       LEU  83   7.016  -7.059   4.172
  665   2HB   LEU  83          2HB       LEU  83   6.218  -6.898   5.729
  666    HG   LEU  83           HG       LEU  83   9.228  -7.181   5.326
  667   1HD1  LEU  83          1HD1      LEU  83   8.309  -4.991   4.549
  668   2HD1  LEU  83          2HD1      LEU  83   7.487  -4.789   6.102
  669   3HD1  LEU  83          3HD1      LEU  83   9.264  -4.804   6.036
  670   1HD2  LEU  83          1HD2      LEU  83   8.529  -8.121   7.462
  671   2HD2  LEU  83          2HD2      LEU  83   9.437  -6.609   7.675
  672   3HD2  LEU  83          3HD2      LEU  83   7.668  -6.609   7.869
  673    H    TYR  84           H        TYR  84   6.100  -9.219   3.015
  674    HA   TYR  84           HA       TYR  84   3.303  -9.208   3.376
  675   1HB   TYR  84          1HB       TYR  84   4.542  -8.737   1.271
  676   2HB   TYR  84          2HB       TYR  84   4.987 -10.439   1.171
  677    HD1  TYR  84           HD1      TYR  84   3.438 -12.104   0.349
  678    HD2  TYR  84           HD2      TYR  84   2.183  -8.028   0.908
  679    HE1  TYR  84           HE1      TYR  84   1.318 -12.586  -0.829
  680    HE2  TYR  84           HE2      TYR  84   0.062  -8.521  -0.241
  681    HH   TYR  84           HH       TYR  84  -1.233 -10.120  -1.126
  682    H    GLY  85           H        GLY  85   5.647 -11.919   3.100
  683   1HA   GLY  85          1HA       GLY  85   5.559 -14.105   3.577
  684   2HA   GLY  85          2HA       GLY  85   3.833 -14.068   3.168
  685    H    LYS  86           H        LYS  86   5.765 -12.505   5.767
  686    HA   LYS  86           HA       LYS  86   4.836 -14.102   7.906
  687   1HB   LYS  86          1HB       LYS  86   5.969 -11.278   7.803
  688   2HB   LYS  86          2HB       LYS  86   5.745 -12.228   9.298
  689   1HG   LYS  86          1HG       LYS  86   7.321 -13.923   8.424
  690   2HG   LYS  86          2HG       LYS  86   7.582 -12.920   6.976
  691   1HD   LYS  86          1HD       LYS  86   9.385 -12.315   8.305
  692   2HD   LYS  86          2HD       LYS  86   8.197 -11.035   8.655
  693   1HE   LYS  86          1HE       LYS  86   7.531 -12.231  10.725
  694   2HE   LYS  86          2HE       LYS  86   8.768 -13.469  10.373
  695   1HZ   LYS  86          1HZ       LYS  86  10.407 -11.754  10.455
  696   2HZ   LYS  86          2HZ       LYS  86   9.280 -10.616  10.780
  697   3HZ   LYS  86          3HZ       LYS  86   9.577 -11.800  11.861
  698    H    VAL  87           H        VAL  87   3.476 -11.417   6.204
  699    HA   VAL  87           HA       VAL  87   1.868  -9.999   6.378
  700    HB   VAL  87           HB       VAL  87   0.480 -11.922   8.265
  701   1HG1  VAL  87          1HG1      VAL  87  -0.629  -9.761   8.034
  702   2HG1  VAL  87          2HG1      VAL  87  -0.634  -9.920   6.262
  703   3HG1  VAL  87          3HG1      VAL  87  -1.579 -11.053   7.254
  704   1HG2  VAL  87          1HG2      VAL  87   1.211 -13.173   6.266
  705   2HG2  VAL  87          2HG2      VAL  87  -0.557 -12.961   6.281
  706   3HG2  VAL  87          3HG2      VAL  87   0.451 -11.954   5.214
  707    H    ASP  88           H        ASP  88   3.686  -8.967   7.547
  708    HA   ASP  88           HA       ASP  88   3.042  -8.258  10.335
  709   1HB   ASP  88          1HB       ASP  88   5.371  -9.095   9.723
  710   2HB   ASP  88          2HB       ASP  88   5.549  -7.644   8.736
  711    H    GLY  89           H        GLY  89   1.371  -6.985   9.976
  712   1HA   GLY  89          1HA       GLY  89   0.182  -5.061   9.598
  713   2HA   GLY  89          2HA       GLY  89   1.023  -5.003   8.035
  714    H    LEU  90           H        LEU  90   2.484  -4.758  11.297
  715    HA   LEU  90           HA       LEU  90   2.653  -1.926  11.381
  716   1HB   LEU  90          1HB       LEU  90   2.627  -3.457  13.326
  717   2HB   LEU  90          2HB       LEU  90   4.206  -4.087  12.824
  718    HG   LEU  90           HG       LEU  90   5.170  -1.843  13.044
  719   1HD1  LEU  90          1HD1      LEU  90   3.159  -0.447  12.775
  720   2HD1  LEU  90          2HD1      LEU  90   2.491  -1.082  14.298
  721   3HD1  LEU  90          3HD1      LEU  90   3.956  -0.083  14.323
  722   1HD2  LEU  90          1HD2      LEU  90   3.819  -2.930  15.550
  723   2HD2  LEU  90          2HD2      LEU  90   5.386  -3.440  14.879
  724   3HD2  LEU  90          3HD2      LEU  90   5.192  -1.800  15.533
  725    H    GLY  91           H        GLY  91   4.907  -4.504  10.409
  726   1HA   GLY  91          1HA       GLY  91   6.730  -4.566   9.072
  727   2HA   GLY  91          2HA       GLY  91   7.210  -3.061   9.858
  728    H    VAL  92           H        VAL  92   4.403  -3.751   7.748
  729    HA   VAL  92           HA       VAL  92   5.440  -2.366   5.475
  730    HB   VAL  92           HB       VAL  92   2.645  -3.270   6.208
  731   1HG1  VAL  92          1HG1      VAL  92   3.823  -2.618   3.470
  732   2HG1  VAL  92          2HG1      VAL  92   2.211  -3.314   3.736
  733   3HG1  VAL  92          3HG1      VAL  92   2.568  -1.677   4.320
  734   1HG2  VAL  92          1HG2      VAL  92   4.789  -4.661   4.546
  735   2HG2  VAL  92          2HG2      VAL  92   4.195  -5.181   6.138
  736   3HG2  VAL  92          3HG2      VAL  92   3.114  -5.233   4.727
  737    H    LEU  93           H        LEU  93   3.290  -1.477   8.169
  738    HA   LEU  93           HA       LEU  93   2.421   0.999   7.206
  739   1HB   LEU  93          1HB       LEU  93   2.160  -0.485   9.551
  740   2HB   LEU  93          2HB       LEU  93   3.112   0.914  10.080
  741    HG   LEU  93           HG       LEU  93   0.379   0.965   8.765
  742   1HD1  LEU  93          1HD1      LEU  93   0.348   0.196  11.088
  743   2HD1  LEU  93          2HD1      LEU  93   1.297   1.615  11.595
  744   3HD1  LEU  93          3HD1      LEU  93  -0.342   1.831  10.960
  745   1HD2  LEU  93          1HD2      LEU  93   1.642   3.003   8.123
  746   2HD2  LEU  93          2HD2      LEU  93   0.318   3.363   9.248
  747   3HD2  LEU  93          3HD2      LEU  93   1.993   3.323   9.840
  748    H    LYS  94           H        LYS  94   5.316   0.106   9.083
  749    HA   LYS  94           HA       LYS  94   6.351   2.716   9.339
  750   1HB   LYS  94          1HB       LYS  94   7.468  -0.080   9.584
  751   2HB   LYS  94          2HB       LYS  94   8.539   1.314   9.767
  752   1HG   LYS  94          1HG       LYS  94   7.185   2.218  11.589
  753   2HG   LYS  94          2HG       LYS  94   5.972   0.949  11.384
  754   1HD   LYS  94          1HD       LYS  94   7.598  -0.759  12.080
  755   2HD   LYS  94          2HD       LYS  94   8.881   0.460  12.171
  756   1HE   LYS  94          1HE       LYS  94   7.717   1.610  14.005
  757   2HE   LYS  94          2HE       LYS  94   6.348   0.491  13.890
  758   1HZ   LYS  94          1HZ       LYS  94   7.866  -1.280  14.409
  759   2HZ   LYS  94          2HZ       LYS  94   9.111  -0.232  14.528
  760   3HZ   LYS  94          3HZ       LYS  94   7.869  -0.145  15.585
  761    H    ALA  95           H        ALA  95   6.834   0.155   6.879
  762    HA   ALA  95           HA       ALA  95   8.871   1.492   5.464
  763   1HB   ALA  95          1HB       ALA  95   6.741  -0.533   4.605
  764   2HB   ALA  95          2HB       ALA  95   8.201  -0.167   3.655
  765   3HB   ALA  95          3HB       ALA  95   8.345  -0.958   5.249
  766    H    ALA  96           H        ALA  96   5.343   1.559   5.266
  767    HA   ALA  96           HA       ALA  96   5.154   3.158   2.972
  768   1HB   ALA  96          1HB       ALA  96   3.274   1.798   3.888
  769   2HB   ALA  96          2HB       ALA  96   3.263   2.796   5.352
  770   3HB   ALA  96          3HB       ALA  96   2.784   3.509   3.792
  771    H    VAL  97           H        VAL  97   5.236   4.002   6.483
  772    HA   VAL  97           HA       VAL  97   4.853   6.783   6.045
  773    HB   VAL  97           HB       VAL  97   4.645   4.995   8.026
  774   1HG1  VAL  97          1HG1      VAL  97   7.109   6.521   8.831
  775   2HG1  VAL  97          2HG1      VAL  97   6.054   5.603   9.937
  776   3HG1  VAL  97          3HG1      VAL  97   6.929   4.770   8.604
  777   1HG2  VAL  97          1HG2      VAL  97   4.998   8.032   8.293
  778   2HG2  VAL  97          2HG2      VAL  97   3.476   7.187   7.915
  779   3HG2  VAL  97          3HG2      VAL  97   4.213   7.025   9.525
  780    H    ALA  98           H        ALA  98   7.655   4.670   6.118
  781    HA   ALA  98           HA       ALA  98   9.658   6.627   6.312
  782   1HB   ALA  98          1HB       ALA  98   9.602   3.923   4.938
  783   2HB   ALA  98          2HB       ALA  98  11.096   4.828   5.315
  784   3HB   ALA  98          3HB       ALA  98  10.064   4.212   6.639
  785    H    ALA  99           H        ALA  99   7.849   5.200   3.539
  786    HA   ALA  99           HA       ALA  99   9.276   6.552   1.531
  787   1HB   ALA  99          1HB       ALA  99   7.949   4.482   1.169
  788   2HB   ALA  99          2HB       ALA  99   7.329   5.791   0.119
  789   3HB   ALA  99          3HB       ALA  99   6.464   5.356   1.614
  790    H    ILE 100           H        ILE 100   6.360   7.452   3.397
  791    HA   ILE 100           HA       ILE 100   5.733   9.762   1.854
  792    HB   ILE 100           HB       ILE 100   5.221   9.096   4.761
  793   1HG1  ILE 100          1HG1      ILE 100   3.251   8.854   2.474
  794   2HG1  ILE 100          2HG1      ILE 100   4.306   7.512   2.920
  795   1HG2  ILE 100          1HG2      ILE 100   4.903  11.496   4.284
  796   2HG2  ILE 100          2HG2      ILE 100   3.838  11.096   2.911
  797   3HG2  ILE 100          3HG2      ILE 100   3.320  10.726   4.568
  798   1HD1  ILE 100          1HD1      ILE 100   3.307   7.494   5.207
  799   2HD1  ILE 100          2HD1      ILE 100   2.239   8.826   4.731
  800   3HD1  ILE 100          3HD1      ILE 100   2.093   7.244   3.936
  801    H    LYS 101           H        LYS 101   7.618   9.247   4.867
  802    HA   LYS 101           HA       LYS 101   8.405  11.885   5.296
  803   1HB   LYS 101          1HB       LYS 101   9.642   9.237   5.970
  804   2HB   LYS 101          2HB       LYS 101  10.405  10.788   6.447
  805   1HG   LYS 101          1HG       LYS 101   8.183  11.356   7.605
  806   2HG   LYS 101          2HG       LYS 101   7.736   9.645   7.362
  807   1HD   LYS 101          1HD       LYS 101   8.546   9.742   9.480
  808   2HD   LYS 101          2HD       LYS 101   9.866   9.015   8.526
  809   1HE   LYS 101          1HE       LYS 101  10.970  11.282   8.414
  810   2HE   LYS 101          2HE       LYS 101   9.700  11.902   9.493
  811   1HZ   LYS 101          1HZ       LYS 101  10.415  10.326  11.122
  812   2HZ   LYS 101          2HZ       LYS 101  11.584   9.754  10.127
  813   3HZ   LYS 101          3HZ       LYS 101  11.665  11.281  10.677
  814    H    LYS 102           H        LYS 102   9.927   9.331   3.206
  815    HA   LYS 102           HA       LYS 102  12.328  10.664   2.714
  816   1HB   LYS 102          1HB       LYS 102  11.520   8.221   2.531
  817   2HB   LYS 102          2HB       LYS 102  10.940   8.673   0.910
  818   1HG   LYS 102          1HG       LYS 102  13.197   9.303   0.222
  819   2HG   LYS 102          2HG       LYS 102  13.805   9.022   1.875
  820   1HD   LYS 102          1HD       LYS 102  12.980   6.636   1.656
  821   2HD   LYS 102          2HD       LYS 102  12.627   6.977  -0.046
  822   1HE   LYS 102          1HE       LYS 102  15.414   7.257   1.166
  823   2HE   LYS 102          2HE       LYS 102  14.841   5.815   0.312
  824   1HZ   LYS 102          1HZ       LYS 102  14.963   8.510  -0.804
  825   2HZ   LYS 102          2HZ       LYS 102  16.016   7.297  -1.110
  826   3HZ   LYS 102          3HZ       LYS 102  14.459   7.168  -1.591
  827    H    ALA 103           H        ALA 103   9.238  10.354   0.980
  828    HA   ALA 103           HA       ALA 103   9.775  11.828  -1.335
  829   1HB   ALA 103          1HB       ALA 103   7.807  10.386  -1.102
  830   2HB   ALA 103          2HB       ALA 103   7.139  11.471   0.147
  831   3HB   ALA 103          3HB       ALA 103   7.317  12.037  -1.527
  832    H    ALA 104           H        ALA 104   8.461  12.923   1.865
  833    HA   ALA 104           HA       ALA 104   8.255  15.638   1.299
  834   1HB   ALA 104          1HB       ALA 104   8.962  14.152   3.851
  835   2HB   ALA 104          2HB       ALA 104   7.323  14.518   3.268
  836   3HB   ALA 104          3HB       ALA 104   8.409  15.848   3.771
  837    H    ALA 105           H        ALA 105  10.920  14.046   3.195
  838    HA   ALA 105           HA       ALA 105  12.978  14.190   1.790
  839   1HB   ALA 105          1HB       ALA 105  12.880  16.893   3.214
  840   2HB   ALA 105          2HB       ALA 105  14.342  16.218   2.433
  841   3HB   ALA 105          3HB       ALA 105  12.922  16.671   1.446
  842    H    ASN 106           H        ASN 106  13.656  12.523   3.061
  843    HA   ASN 106           HA       ASN 106  14.836  13.046   5.556
  844   1HB   ASN 106          1HB       ASN 106  12.154  12.425   5.821
  845   2HB   ASN 106          2HB       ASN 106  12.900  10.827   5.870
  846   2HD2  ASN 106          2HD2      ASN 106  13.122  14.062   7.208
  847   1HD2  ASN 106          1HD2      ASN 106  13.753  13.659   8.792

  No H/Q in entry =         847
  Start of MODEL    9
    1    H1   MET   1           H1       MET   1  -2.507  17.857   5.097
    2    H2   MET   1           H2       MET   1  -3.213  19.064   4.253
    3    H3   MET   1           H3       MET   1  -3.453  18.931   5.864
    4    HA   MET   1           HA       MET   1  -5.409  18.113   4.755
    5   1HB   MET   1          1HB       MET   1  -3.834  17.435   2.736
    6   2HB   MET   1          2HB       MET   1  -3.583  15.951   3.655
    7   1HG   MET   1          1HG       MET   1  -6.308  17.012   2.862
    8   2HG   MET   1          2HG       MET   1  -5.389  15.838   1.911
    9   1HE   MET   1          1HE       MET   1  -7.959  16.411   4.559
   10   2HE   MET   1          2HE       MET   1  -8.408  15.565   3.062
   11   3HE   MET   1          3HE       MET   1  -8.566  14.740   4.634
   12    H    GLU   2           H        GLU   2  -6.417  17.173   6.539
   13    HA   GLU   2           HA       GLU   2  -4.817  15.898   8.532
   14   1HB   GLU   2          1HB       GLU   2  -6.738  17.527   8.832
   15   2HB   GLU   2          2HB       GLU   2  -7.829  16.227   8.317
   16   1HG   GLU   2          1HG       GLU   2  -7.683  16.471  10.793
   17   2HG   GLU   2          2HG       GLU   2  -7.182  14.865  10.250
   18    H    LYS   3           H        LYS   3  -4.711  13.744   9.020
   19    HA   LYS   3           HA       LYS   3  -4.398  11.676   8.593
   20   1HB   LYS   3          1HB       LYS   3  -7.081  11.818   7.218
   21   2HB   LYS   3          2HB       LYS   3  -6.178  10.301   7.406
   22   1HG   LYS   3          1HG       LYS   3  -6.163  11.192   9.984
   23   2HG   LYS   3          2HG       LYS   3  -7.707  11.885   9.444
   24   1HD   LYS   3          1HD       LYS   3  -8.290   9.602   8.499
   25   2HD   LYS   3          2HD       LYS   3  -6.851   8.973   9.323
   26   1HE   LYS   3          1HE       LYS   3  -8.597   8.507  10.836
   27   2HE   LYS   3          2HE       LYS   3  -7.908  10.017  11.475
   28   1HZ   LYS   3          1HZ       LYS   3  -9.615  11.203  10.310
   29   2HZ   LYS   3          2HZ       LYS   3 -10.250   9.810   9.739
   30   3HZ   LYS   3          3HZ       LYS   3 -10.273  10.119  11.341
   31    H    LYS   4           H        LYS   4  -3.560  10.224   7.243
   32    HA   LYS   4           HA       LYS   4  -3.031  11.188   4.504
   33   1HB   LYS   4          1HB       LYS   4  -1.337   9.524   6.414
   34   2HB   LYS   4          2HB       LYS   4  -0.866   9.869   4.744
   35   1HG   LYS   4          1HG       LYS   4  -0.739  12.234   5.167
   36   2HG   LYS   4          2HG       LYS   4  -1.514  12.045   6.756
   37   1HD   LYS   4          1HD       LYS   4   0.444  10.661   7.477
   38   2HD   LYS   4          2HD       LYS   4   1.218  10.991   5.909
   39   1HE   LYS   4          1HE       LYS   4   0.400  13.129   7.917
   40   2HE   LYS   4          2HE       LYS   4   2.044  12.505   7.717
   41   1HZ   LYS   4          1HZ       LYS   4   0.460  13.810   5.628
   42   2HZ   LYS   4          2HZ       LYS   4   1.681  14.503   6.469
   43   3HZ   LYS   4          3HZ       LYS   4   1.979  13.259   5.450
   44    H    HIS   5           H        HIS   5  -2.915   9.792   2.779
   45    HA   HIS   5           HA       HIS   5  -4.499   7.354   3.071
   46   1HB   HIS   5          1HB       HIS   5  -3.890   9.168   0.702
   47   2HB   HIS   5          2HB       HIS   5  -4.638   7.572   0.518
   48    HD2  HIS   5           HD2      HIS   5  -5.990  10.401  -0.306
   49    HE1  HIS   5           HE1      HIS   5  -8.801   9.295   2.588
   50    HE2  HIS   5           HE2      HIS   5  -8.419  10.716   0.523
   51    H    ILE   6           H        ILE   6  -3.548   5.522   3.173
   52    HA   ILE   6           HA       ILE   6  -1.098   4.960   1.621
   53    HB   ILE   6           HB       ILE   6  -2.125   3.669   4.168
   54   1HG1  ILE   6          1HG1      ILE   6   0.382   5.351   3.803
   55   2HG1  ILE   6          2HG1      ILE   6  -1.152   5.986   4.398
   56   1HG2  ILE   6          1HG2      ILE   6   0.403   3.151   2.540
   57   2HG2  ILE   6          2HG2      ILE   6   0.017   2.419   4.118
   58   3HG2  ILE   6          3HG2      ILE   6  -0.995   2.070   2.701
   59   1HD1  ILE   6          1HD1      ILE   6  -1.057   4.472   6.330
   60   2HD1  ILE   6          2HD1      ILE   6   0.484   3.803   5.722
   61   3HD1  ILE   6          3HD1      ILE   6   0.386   5.507   6.223
   62    H    TYR   7           H        TYR   7  -1.924   4.215  -0.241
   63    HA   TYR   7           HA       TYR   7  -4.197   2.337  -0.095
   64   1HB   TYR   7          1HB       TYR   7  -3.356   4.121  -2.384
   65   2HB   TYR   7          2HB       TYR   7  -4.624   2.918  -2.472
   66    HD1  TYR   7           HD1      TYR   7  -5.638   3.886   0.607
   67    HD2  TYR   7           HD2      TYR   7  -4.905   5.657  -3.262
   68    HE1  TYR   7           HE1      TYR   7  -7.538   5.371   0.913
   69    HE2  TYR   7           HE2      TYR   7  -6.706   7.255  -2.866
   70    HH   TYR   7           HH       TYR   7  -8.183   7.991  -1.517
   71    H    LEU   8           H        LEU   8  -3.948   0.368  -0.564
   72    HA   LEU   8           HA       LEU   8  -1.410  -0.626  -1.704
   73   1HB   LEU   8          1HB       LEU   8  -3.434  -1.795   0.223
   74   2HB   LEU   8          2HB       LEU   8  -2.326  -2.836  -0.688
   75    HG   LEU   8           HG       LEU   8  -0.468  -1.284   0.398
   76   1HD1  LEU   8          1HD1      LEU   8  -2.833  -0.733   2.176
   77   2HD1  LEU   8          2HD1      LEU   8  -1.112  -0.361   2.550
   78   3HD1  LEU   8          3HD1      LEU   8  -1.929   0.448   1.183
   79   1HD2  LEU   8          1HD2      LEU   8  -2.156  -3.193   2.078
   80   2HD2  LEU   8          2HD2      LEU   8  -0.819  -3.671   1.009
   81   3HD2  LEU   8          3HD2      LEU   8  -0.497  -2.676   2.445
   82    H    PHE   9           H        PHE   9  -1.378  -1.852  -3.429
   83    HA   PHE   9           HA       PHE   9  -3.923  -2.466  -4.790
   84   1HB   PHE   9          1HB       PHE   9  -1.403  -1.174  -5.914
   85   2HB   PHE   9          2HB       PHE   9  -2.659  -1.857  -6.928
   86    HD1  PHE   9           HD1      PHE   9  -1.804   0.861  -4.564
   87    HD2  PHE   9           HD2      PHE   9  -4.887  -0.772  -7.075
   88    HE1  PHE   9           HE1      PHE   9  -2.919   3.047  -4.621
   89    HE2  PHE   9           HE2      PHE   9  -6.059   1.387  -7.024
   90    HZ   PHE   9           HZ       PHE   9  -4.956   3.337  -6.021
   91    H    SER  11           H        SER  11  -3.422  -7.911  -7.799
   92    HA   SER  11           HA       SER  11  -4.890  -6.806  -9.734
   93   1HB   SER  11          1HB       SER  11  -4.982  -9.703  -8.771
   94   2HB   SER  11          2HB       SER  11  -5.384  -9.138 -10.405
   95    HG   SER  11           HG       SER  11  -3.347  -9.344 -10.814
   96    H    ALA  12           H        ALA  12  -6.397  -8.744  -7.088
   97    HA   ALA  12           HA       ALA  12  -9.038  -7.719  -7.904
   98   1HB   ALA  12          1HB       ALA  12  -8.696 -10.135  -8.105
   99   2HB   ALA  12          2HB       ALA  12  -8.189 -10.230  -6.406
  100   3HB   ALA  12          3HB       ALA  12  -9.867  -9.785  -6.811
  101    H    GLY  13           H        GLY  13  -6.726  -7.084  -5.571
  102   1HA   GLY  13          1HA       GLY  13  -8.375  -5.721  -3.797
  103   2HA   GLY  13          2HA       GLY  13  -6.682  -6.165  -3.519
  104    H    MET  14           H        MET  14  -6.977  -9.021  -3.480
  105    HA   MET  14           HA       MET  14  -8.946  -9.391  -1.364
  106   1HB   MET  14          1HB       MET  14  -8.812 -11.826  -1.856
  107   2HB   MET  14          2HB       MET  14  -9.357 -10.824  -3.196
  108   1HG   MET  14          1HG       MET  14  -7.460 -11.182  -4.452
  109   2HG   MET  14          2HG       MET  14  -6.443 -11.502  -3.022
  110   1HE   MET  14          1HE       MET  14  -5.297 -13.623  -3.556
  111   2HE   MET  14          2HE       MET  14  -5.982 -14.967  -4.500
  112   3HE   MET  14          3HE       MET  14  -5.822 -13.352  -5.238
  113    H    SER  15           H        SER  15  -5.588 -10.914  -1.734
  114    HA   SER  15           HA       SER  15  -5.737 -11.702   0.995
  115   1HB   SER  15          1HB       SER  15  -3.442 -12.459   0.680
  116   2HB   SER  15          2HB       SER  15  -4.407 -12.925  -0.728
  117    HG   SER  15           HG       SER  15  -2.482 -11.943  -1.505
  118    H    THR  16           H        THR  16  -4.544  -8.803  -0.615
  119    HA   THR  16           HA       THR  16  -2.892  -7.678   1.324
  120    HB   THR  16           HB       THR  16  -3.911  -5.508   0.402
  121    HG1  THR  16           HG1      THR  16  -4.941  -6.166  -1.801
  122   1HG2  THR  16          1HG2      THR  16  -2.493  -7.460  -1.431
  123   2HG2  THR  16          2HG2      THR  16  -2.634  -5.688  -1.691
  124   3HG2  THR  16          3HG2      THR  16  -1.759  -6.309  -0.278
  125    H    SER  17           H        SER  17  -6.512  -7.802   1.201
  126    HA   SER  17           HA       SER  17  -7.014  -5.709   2.850
  127   1HB   SER  17          1HB       SER  17  -9.228  -6.593   3.122
  128   2HB   SER  17          2HB       SER  17  -8.659  -7.020   1.490
  129    HG   SER  17           HG       SER  17  -9.471  -8.915   2.260
  130    H    LEU  18           H        LEU  18  -6.290  -9.048   3.764
  131    HA   LEU  18           HA       LEU  18  -6.716  -8.764   6.547
  132   1HB   LEU  18          1HB       LEU  18  -6.603 -10.994   5.653
  133   2HB   LEU  18          2HB       LEU  18  -5.014 -10.719   4.928
  134    HG   LEU  18           HG       LEU  18  -4.080 -10.461   7.188
  135   1HD1  LEU  18          1HD1      LEU  18  -6.768 -11.576   8.099
  136   2HD1  LEU  18          2HD1      LEU  18  -5.306 -11.458   9.105
  137   3HD1  LEU  18          3HD1      LEU  18  -6.088  -9.979   8.510
  138   1HD2  LEU  18          1HD2      LEU  18  -3.844 -12.544   5.913
  139   2HD2  LEU  18          2HD2      LEU  18  -4.067 -12.921   7.638
  140   3HD2  LEU  18          3HD2      LEU  18  -5.424 -13.111   6.508
  141    H    LEU  19           H        LEU  19  -3.655  -8.458   4.672
  142    HA   LEU  19           HA       LEU  19  -2.086  -7.705   6.835
  143   1HB   LEU  19          1HB       LEU  19  -1.506  -8.351   4.353
  144   2HB   LEU  19          2HB       LEU  19  -1.799  -6.650   3.994
  145    HG   LEU  19           HG       LEU  19   0.123  -7.351   6.225
  146   1HD1  LEU  19          1HD1      LEU  19   0.750  -7.463   3.253
  147   2HD1  LEU  19          2HD1      LEU  19   1.935  -7.532   4.588
  148   3HD1  LEU  19          3HD1      LEU  19   0.746  -8.844   4.380
  149   1HD2  LEU  19          1HD2      LEU  19  -0.450  -4.975   5.729
  150   2HD2  LEU  19          2HD2      LEU  19   1.266  -5.350   5.439
  151   3HD2  LEU  19          3HD2      LEU  19   0.144  -5.202   4.063
  152    H    VAL  20           H        VAL  20  -4.080  -5.683   4.661
  153    HA   VAL  20           HA       VAL  20  -3.582  -3.155   5.660
  154    HB   VAL  20           HB       VAL  20  -6.027  -4.509   4.577
  155   1HG1  VAL  20          1HG1      VAL  20  -5.682  -1.510   5.012
  156   2HG1  VAL  20          2HG1      VAL  20  -6.980  -2.267   4.056
  157   3HG1  VAL  20          3HG1      VAL  20  -6.873  -2.572   5.804
  158   1HG2  VAL  20          1HG2      VAL  20  -4.019  -2.509   3.427
  159   2HG2  VAL  20          2HG2      VAL  20  -4.125  -4.238   3.012
  160   3HG2  VAL  20          3HG2      VAL  20  -5.438  -3.126   2.537
  161    H    SER  21           H        SER  21  -6.164  -5.513   6.677
  162    HA   SER  21           HA       SER  21  -7.208  -4.180   8.670
  163   1HB   SER  21          1HB       SER  21  -8.042  -6.314   7.837
  164   2HB   SER  21          2HB       SER  21  -6.684  -7.180   8.591
  165    HG   SER  21           HG       SER  21  -8.724  -7.193   9.883
  166    H    LYS  22           H        LYS  22  -4.297  -6.261   8.918
  167    HA   LYS  22           HA       LYS  22  -3.909  -6.014  11.722
  168   1HB   LYS  22          1HB       LYS  22  -1.936  -6.619   9.473
  169   2HB   LYS  22          2HB       LYS  22  -1.532  -6.718  11.177
  170   1HG   LYS  22          1HG       LYS  22  -3.521  -8.421  11.386
  171   2HG   LYS  22          2HG       LYS  22  -3.344  -8.525   9.558
  172   1HD   LYS  22          1HD       LYS  22  -1.154  -9.089   9.768
  173   2HD   LYS  22          2HD       LYS  22  -1.260  -8.892  11.595
  174   1HE   LYS  22          1HE       LYS  22  -2.884 -10.946  10.011
  175   2HE   LYS  22          2HE       LYS  22  -1.370 -11.353  10.838
  176   1HZ   LYS  22          1HZ       LYS  22  -3.733 -10.181  12.103
  177   2HZ   LYS  22          2HZ       LYS  22  -3.301 -11.755  12.184
  178   3HZ   LYS  22          3HZ       LYS  22  -2.354 -10.609  12.862
  179    H    MET  23           H        MET  23  -2.521  -4.126   9.031
  180    HA   MET  23           HA       MET  23  -1.084  -2.510  10.895
  181   1HB   MET  23          1HB       MET  23  -0.622  -0.973   9.001
  182   2HB   MET  23          2HB       MET  23   0.050  -2.606   8.920
  183   1HG   MET  23          1HG       MET  23  -1.905  -3.197   7.403
  184   2HG   MET  23          2HG       MET  23  -2.244  -1.456   7.294
  185   1HE   MET  23          1HE       MET  23  -0.862   0.164   5.665
  186   2HE   MET  23          2HE       MET  23   0.463   0.080   6.852
  187   3HE   MET  23          3HE       MET  23   0.798  -0.215   5.140
  188    H    ARG  24           H        ARG  24  -4.299  -2.241   9.486
  189    HA   ARG  24           HA       ARG  24  -4.903   0.333  10.458
  190   1HB   ARG  24          1HB       ARG  24  -6.525  -2.141   9.880
  191   2HB   ARG  24          2HB       ARG  24  -7.280  -0.824  10.773
  192   1HG   ARG  24          1HG       ARG  24  -6.598   0.708   8.857
  193   2HG   ARG  24          2HG       ARG  24  -6.228  -0.755   7.933
  194   1HD   ARG  24          1HD       ARG  24  -8.572  -1.592   8.355
  195   2HD   ARG  24          2HD       ARG  24  -8.917  -0.139   9.264
  196    HE   ARG  24           HE       ARG  24  -8.440   1.025   7.005
  197   1HH1  ARG  24          1HH1      ARG  24  -9.705  -2.267   7.174
  198   2HH1  ARG  24          2HH1      ARG  24 -10.579  -2.136   5.686
  199   1HH2  ARG  24          1HH2      ARG  24  -9.808   1.240   5.157
  200   2HH2  ARG  24          2HH2      ARG  24 -10.648  -0.126   4.559
  201    H    ALA  25           H        ALA  25  -5.348  -2.886  12.082
  202    HA   ALA  25           HA       ALA  25  -6.213  -1.904  14.478
  203   1HB   ALA  25          1HB       ALA  25  -6.296  -4.261  13.715
  204   2HB   ALA  25          2HB       ALA  25  -4.533  -4.359  13.749
  205   3HB   ALA  25          3HB       ALA  25  -5.437  -4.203  15.279
  206    H    GLN  26           H        GLN  26  -2.879  -2.338  13.359
  207    HA   GLN  26           HA       GLN  26  -1.733  -1.394  15.835
  208   1HB   GLN  26          1HB       GLN  26  -0.638  -1.951  13.041
  209   2HB   GLN  26          2HB       GLN  26   0.381  -1.323  14.336
  210   1HG   GLN  26          1HG       GLN  26   0.000  -3.280  15.709
  211   2HG   GLN  26          2HG       GLN  26  -1.304  -3.842  14.663
  212   2HE2  GLN  26          2HE2      GLN  26   1.786  -4.701  15.523
  213   1HE2  GLN  26          1HE2      GLN  26   2.247  -5.354  13.977
  214    H    ALA  27           H        ALA  27  -2.787   0.254  12.896
  215    HA   ALA  27           HA       ALA  27  -1.664   2.767  13.601
  216   1HB   ALA  27          1HB       ALA  27  -2.600   2.266  11.337
  217   2HB   ALA  27          2HB       ALA  27  -4.204   2.054  12.077
  218   3HB   ALA  27          3HB       ALA  27  -3.434   3.658  12.062
  219    H    GLU  28           H        GLU  28  -4.660   1.054  14.601
  220    HA   GLU  28           HA       GLU  28  -5.725   3.126  16.172
  221   1HB   GLU  28          1HB       GLU  28  -5.859   0.093  16.221
  222   2HB   GLU  28          2HB       GLU  28  -6.805   1.096  17.350
  223   1HG   GLU  28          1HG       GLU  28  -8.010   2.083  15.447
  224   2HG   GLU  28          2HG       GLU  28  -6.999   1.164  14.302
  225    H    LYS  29           H        LYS  29  -3.624   0.343  16.964
  226    HA   LYS  29           HA       LYS  29  -3.396   0.691  19.698
  227   1HB   LYS  29          1HB       LYS  29  -2.760  -1.277  18.289
  228   2HB   LYS  29          2HB       LYS  29  -1.356  -0.389  17.726
  229   1HG   LYS  29          1HG       LYS  29  -0.535  -0.193  20.080
  230   2HG   LYS  29          2HG       LYS  29  -1.939  -1.122  20.636
  231   1HD   LYS  29          1HD       LYS  29  -1.185  -3.028  19.205
  232   2HD   LYS  29          2HD       LYS  29   0.261  -2.080  18.766
  233   1HE   LYS  29          1HE       LYS  29   0.852  -3.642  20.536
  234   2HE   LYS  29          2HE       LYS  29   0.884  -2.003  21.208
  235   1HZ   LYS  29          1HZ       LYS  29  -1.334  -3.895  21.443
  236   2HZ   LYS  29          2HZ       LYS  29  -0.267  -3.520  22.625
  237   3HZ   LYS  29          3HZ       LYS  29  -1.301  -2.386  22.064
  238    H    TYR  30           H        TYR  30  -1.287   1.990  17.109
  239    HA   TYR  30           HA       TYR  30   0.332   3.409  19.105
  240   1HB   TYR  30          1HB       TYR  30   0.757   2.831  16.157
  241   2HB   TYR  30          2HB       TYR  30   1.874   3.749  17.154
  242    HD1  TYR  30           HD1      TYR  30   1.133   0.635  15.781
  243    HD2  TYR  30           HD2      TYR  30   2.550   2.347  19.474
  244    HE1  TYR  30           HE1      TYR  30   2.011  -1.539  16.446
  245    HE2  TYR  30           HE2      TYR  30   3.492   0.206  20.119
  246    HH   TYR  30           HH       TYR  30   3.898  -1.925  19.449
  247    H    GLU  31           H        GLU  31  -2.438   4.246  18.131
  248    HA   GLU  31           HA       GLU  31  -3.531   5.781  17.027
  249   1HB   GLU  31          1HB       GLU  31  -3.404   7.926  18.312
  250   2HB   GLU  31          2HB       GLU  31  -3.710   6.433  19.205
  251   1HG   GLU  31          1HG       GLU  31  -1.301   6.359  19.822
  252   2HG   GLU  31          2HG       GLU  31  -1.104   7.972  19.099
  253    H    VAL  32           H        VAL  32  -2.422   5.440  15.062
  254    HA   VAL  32           HA       VAL  32  -0.990   7.801  14.008
  255    HB   VAL  32           HB       VAL  32  -1.264   5.015  12.862
  256   1HG1  VAL  32          1HG1      VAL  32   0.649   7.301  12.202
  257   2HG1  VAL  32          2HG1      VAL  32   0.699   5.682  11.472
  258   3HG1  VAL  32          3HG1      VAL  32  -0.702   6.742  11.187
  259   1HG2  VAL  32          1HG2      VAL  32   1.075   6.147  14.438
  260   2HG2  VAL  32          2HG2      VAL  32  -0.024   4.838  14.936
  261   3HG2  VAL  32          3HG2      VAL  32   1.069   4.599  13.554
  262    HA   PRO  33           HA       PRO  33  -5.026   8.216  12.152
  263   1HB   PRO  33          1HB       PRO  33  -4.914  10.885  11.476
  264   2HB   PRO  33          2HB       PRO  33  -5.216  10.335  13.139
  265   1HG   PRO  33          1HG       PRO  33  -2.579  11.214  11.872
  266   2HG   PRO  33          2HG       PRO  33  -3.242  11.653  13.472
  267   1HD   PRO  33          1HD       PRO  33  -1.370   9.684  13.141
  268   2HD   PRO  33          2HD       PRO  33  -2.600   9.606  14.428
  269    H    VAL  34           H        VAL  34  -4.436   6.775  10.570
  270    HA   VAL  34           HA       VAL  34  -4.113   7.948   7.872
  271    HB   VAL  34           HB       VAL  34  -2.785   6.003   7.243
  272   1HG1  VAL  34          1HG1      VAL  34  -1.572   7.861   9.301
  273   2HG1  VAL  34          2HG1      VAL  34  -0.647   6.856   8.157
  274   3HG1  VAL  34          3HG1      VAL  34  -1.728   8.134   7.548
  275   1HG2  VAL  34          1HG2      VAL  34  -2.474   5.574  10.248
  276   2HG2  VAL  34          2HG2      VAL  34  -3.196   4.433   9.096
  277   3HG2  VAL  34          3HG2      VAL  34  -1.464   4.809   9.002
  278    H    ILE  35           H        ILE  35  -4.969   6.982   6.209
  279    HA   ILE  35           HA       ILE  35  -7.135   5.046   6.743
  280    HB   ILE  35           HB       ILE  35  -6.834   7.204   4.630
  281   1HG1  ILE  35          1HG1      ILE  35  -9.000   6.840   6.696
  282   2HG1  ILE  35          2HG1      ILE  35  -7.548   7.802   7.010
  283   1HG2  ILE  35          1HG2      ILE  35  -7.899   5.163   3.677
  284   2HG2  ILE  35          2HG2      ILE  35  -9.058   5.149   5.024
  285   3HG2  ILE  35          3HG2      ILE  35  -9.088   6.482   3.846
  286   1HD1  ILE  35          1HD1      ILE  35  -8.169   9.309   5.111
  287   2HD1  ILE  35          2HD1      ILE  35  -9.630   8.328   4.857
  288   3HD1  ILE  35          3HD1      ILE  35  -9.430   9.238   6.364
  289    H    ILE  36           H        ILE  36  -6.411   3.139   6.380
  290    HA   ILE  36           HA       ILE  36  -4.611   2.644   4.083
  291    HB   ILE  36           HB       ILE  36  -5.112   0.872   6.504
  292   1HG1  ILE  36          1HG1      ILE  36  -2.608   2.545   6.157
  293   2HG1  ILE  36          2HG1      ILE  36  -4.064   3.204   6.916
  294   1HG2  ILE  36          1HG2      ILE  36  -4.279  -0.248   4.483
  295   2HG2  ILE  36          2HG2      ILE  36  -2.924   0.883   4.375
  296   3HG2  ILE  36          3HG2      ILE  36  -3.040  -0.244   5.760
  297   1HD1  ILE  36          1HD1      ILE  36  -4.028   1.383   8.591
  298   2HD1  ILE  36          2HD1      ILE  36  -2.524   0.752   7.867
  299   3HD1  ILE  36          3HD1      ILE  36  -2.543   2.359   8.613
  300    H    GLU  37           H        GLU  37  -5.576   1.851   2.367
  301    HA   GLU  37           HA       GLU  37  -7.850  -0.022   2.590
  302   1HB   GLU  37          1HB       GLU  37  -7.781   2.460   0.848
  303   2HB   GLU  37          2HB       GLU  37  -9.032   1.209   0.820
  304   1HG   GLU  37          1HG       GLU  37  -9.665   1.716   3.139
  305   2HG   GLU  37          2HG       GLU  37  -8.428   2.981   3.213
  306    H    ALA  38           H        ALA  38  -8.113  -1.396   0.947
  307    HA   ALA  38           HA       ALA  38  -5.863  -1.542  -0.956
  308   1HB   ALA  38          1HB       ALA  38  -7.495  -3.818   0.265
  309   2HB   ALA  38          2HB       ALA  38  -6.193  -4.007  -0.937
  310   3HB   ALA  38          3HB       ALA  38  -5.816  -3.391   0.683
  311    H    PHE  39           H        PHE  39  -6.214  -1.754  -3.025
  312    HA   PHE  39           HA       PHE  39  -8.958  -1.998  -4.048
  313   1HB   PHE  39          1HB       PHE  39  -6.830   0.035  -4.832
  314   2HB   PHE  39          2HB       PHE  39  -8.343  -0.200  -5.703
  315    HD1  PHE  39           HD1      PHE  39 -10.531   0.326  -4.613
  316    HD2  PHE  39           HD2      PHE  39  -6.786   1.353  -2.755
  317    HE1  PHE  39           HE1      PHE  39 -11.665   2.008  -3.220
  318    HE2  PHE  39           HE2      PHE  39  -7.915   3.122  -1.484
  319    HZ   PHE  39           HZ       PHE  39 -10.337   3.401  -1.659
  320    HA   PRO  40           HA       PRO  40  -6.895  -4.395  -7.312
  321   1HB   PRO  40          1HB       PRO  40  -8.676  -3.733  -9.401
  322   2HB   PRO  40          2HB       PRO  40  -8.787  -5.177  -8.352
  323   1HG   PRO  40          1HG       PRO  40 -10.311  -2.621  -8.236
  324   2HG   PRO  40          2HG       PRO  40 -10.757  -4.273  -7.697
  325   1HD   PRO  40          1HD       PRO  40 -10.062  -2.289  -5.919
  326   2HD   PRO  40          2HD       PRO  40  -9.779  -4.014  -5.591
  327    H    GLU  41           H        GLU  41  -5.756  -4.072  -9.299
  328    HA   GLU  41           HA       GLU  41  -4.273  -1.660  -9.200
  329   1HB   GLU  41          1HB       GLU  41  -2.840  -2.725 -10.734
  330   2HB   GLU  41          2HB       GLU  41  -3.491  -4.088  -9.817
  331   1HG   GLU  41          1HG       GLU  41  -4.474  -3.228 -12.502
  332   2HG   GLU  41          2HG       GLU  41  -3.184  -4.451 -12.132
  333    H    THR  42           H        THR  42  -6.970  -2.654 -11.183
  334    HA   THR  42           HA       THR  42  -6.918  -0.911 -13.280
  335    HB   THR  42           HB       THR  42  -9.409  -0.891 -13.093
  336    HG1  THR  42           HG1      THR  42 -10.179  -2.409 -11.313
  337   1HG2  THR  42          1HG2      THR  42  -8.303  -2.731 -14.248
  338   2HG2  THR  42          2HG2      THR  42  -8.114  -3.624 -12.721
  339   3HG2  THR  42          3HG2      THR  42  -9.737  -3.324 -13.376
  340    H    LEU  43           H        LEU  43  -7.586  -0.107  -9.959
  341    HA   LEU  43           HA       LEU  43  -8.405   2.627 -10.667
  342   1HB   LEU  43          1HB       LEU  43  -8.381   1.084  -8.058
  343   2HB   LEU  43          2HB       LEU  43  -8.994   2.744  -8.207
  344    HG   LEU  43           HG       LEU  43 -10.133   0.394  -9.767
  345   1HD1  LEU  43          1HD1      LEU  43 -11.143   1.688  -7.212
  346   2HD1  LEU  43          2HD1      LEU  43 -12.016   0.494  -8.205
  347   3HD1  LEU  43          3HD1      LEU  43 -10.509   0.026  -7.392
  348   1HD2  LEU  43          1HD2      LEU  43 -10.533   2.626 -10.792
  349   2HD2  LEU  43          2HD2      LEU  43 -12.028   1.905 -10.162
  350   3HD2  LEU  43          3HD2      LEU  43 -11.225   3.201  -9.256
  351    H    ALA  44           H        ALA  44  -5.540   1.398 -10.554
  352    HA   ALA  44           HA       ALA  44  -4.093   2.718  -8.628
  353   1HB   ALA  44          1HB       ALA  44  -3.259   2.026 -11.498
  354   2HB   ALA  44          2HB       ALA  44  -2.126   2.339 -10.162
  355   3HB   ALA  44          3HB       ALA  44  -3.195   0.909 -10.127
  356    H    GLY  45           H        GLY  45  -4.833   3.998 -11.943
  357   1HA   GLY  45          1HA       GLY  45  -4.851   6.095 -12.718
  358   2HA   GLY  45          2HA       GLY  45  -3.466   6.429 -11.639
  359    H    GLU  46           H        GLU  46  -6.863   5.556 -11.128
  360    HA   GLU  46           HA       GLU  46  -7.841   8.125 -10.713
  361   1HB   GLU  46          1HB       GLU  46  -8.879   5.721 -11.224
  362   2HB   GLU  46          2HB       GLU  46  -9.118   5.698  -9.470
  363   1HG   GLU  46          1HG       GLU  46 -10.249   7.796 -11.327
  364   2HG   GLU  46          2HG       GLU  46 -11.145   6.447 -10.651
  365    H    LYS  47           H        LYS  47  -7.304   5.534  -8.314
  366    HA   LYS  47           HA       LYS  47  -7.848   7.334  -6.117
  367   1HB   LYS  47          1HB       LYS  47  -7.410   4.408  -6.466
  368   2HB   LYS  47          2HB       LYS  47  -6.779   5.082  -4.963
  369   1HG   LYS  47          1HG       LYS  47  -9.053   4.267  -4.578
  370   2HG   LYS  47          2HG       LYS  47  -9.043   6.008  -4.440
  371   1HD   LYS  47          1HD       LYS  47  -9.871   6.144  -6.807
  372   2HD   LYS  47          2HD       LYS  47 -10.035   4.388  -6.831
  373   1HE   LYS  47          1HE       LYS  47 -12.197   5.374  -6.304
  374   2HE   LYS  47          2HE       LYS  47 -11.589   4.620  -4.814
  375   1HZ   LYS  47          1HZ       LYS  47 -11.354   7.430  -5.563
  376   2HZ   LYS  47          2HZ       LYS  47 -12.414   6.835  -4.464
  377   3HZ   LYS  47          3HZ       LYS  47 -10.806   6.779  -4.162
  378    H    GLY  48           H        GLY  48  -4.962   6.062  -7.682
  379   1HA   GLY  48          1HA       GLY  48  -2.793   6.385  -7.422
  380   2HA   GLY  48          2HA       GLY  48  -3.066   6.480  -5.664
  381    H    GLN  49           H        GLN  49  -4.638   8.677  -7.926
  382    HA   GLN  49           HA       GLN  49  -2.931  10.830  -7.981
  383   1HB   GLN  49          1HB       GLN  49  -5.938  10.475  -8.127
  384   2HB   GLN  49          2HB       GLN  49  -5.222  12.088  -8.267
  385   1HG   GLN  49          1HG       GLN  49  -4.051  11.497 -10.253
  386   2HG   GLN  49          2HG       GLN  49  -4.253   9.756  -9.940
  387   2HE2  GLN  49          2HE2      GLN  49  -5.068   9.690 -12.270
  388   1HE2  GLN  49          1HE2      GLN  49  -6.766  10.120 -12.445
  389    H    ASN  50           H        ASN  50  -5.169   9.836  -5.422
  390    HA   ASN  50           HA       ASN  50  -4.397  12.208  -3.859
  391   1HB   ASN  50          1HB       ASN  50  -6.794  10.345  -3.688
  392   2HB   ASN  50          2HB       ASN  50  -6.412  11.590  -2.477
  393   2HD2  ASN  50          2HD2      ASN  50  -7.901  11.079  -5.699
  394   1HD2  ASN  50          1HD2      ASN  50  -8.126  12.783  -5.946
  395    H    ALA  51           H        ALA  51  -3.335   9.101  -4.171
  396    HA   ALA  51           HA       ALA  51  -3.132   8.380  -1.360
  397   1HB   ALA  51          1HB       ALA  51  -3.147   6.644  -3.090
  398   2HB   ALA  51          2HB       ALA  51  -1.663   7.327  -3.816
  399   3HB   ALA  51          3HB       ALA  51  -1.611   6.652  -2.175
  400    H    ASP  52           H        ASP  52  -1.513   8.936   0.016
  401    HA   ASP  52           HA       ASP  52   0.580  10.728  -0.850
  402   1HB   ASP  52          1HB       ASP  52  -0.038   9.445   1.846
  403   2HB   ASP  52          2HB       ASP  52   1.299  10.579   1.542
  404    H    VAL  53           H        VAL  53   0.279   7.241  -0.021
  405    HA   VAL  53           HA       VAL  53   2.589   6.911  -1.752
  406    HB   VAL  53           HB       VAL  53   3.469   6.754   0.525
  407   1HG1  VAL  53          1HG1      VAL  53   1.560   6.011   1.663
  408   2HG1  VAL  53          2HG1      VAL  53   1.654   4.392   0.903
  409   3HG1  VAL  53          3HG1      VAL  53   2.983   4.954   1.982
  410   1HG2  VAL  53          1HG2      VAL  53   3.378   4.146  -1.063
  411   2HG2  VAL  53          2HG2      VAL  53   4.500   5.444  -1.361
  412   3HG2  VAL  53          3HG2      VAL  53   4.599   4.540   0.185
  413    H    VAL  54           H        VAL  54   2.423   5.254  -3.108
  414    HA   VAL  54           HA       VAL  54   0.038   3.509  -3.035
  415    HB   VAL  54           HB       VAL  54   1.964   4.305  -5.229
  416   1HG1  VAL  54          1HG1      VAL  54  -0.601   2.653  -5.391
  417   2HG1  VAL  54          2HG1      VAL  54   0.352   3.182  -6.801
  418   3HG1  VAL  54          3HG1      VAL  54   1.050   2.042  -5.625
  419   1HG2  VAL  54          1HG2      VAL  54  -0.949   5.083  -4.783
  420   2HG2  VAL  54          2HG2      VAL  54   0.461   6.147  -4.641
  421   3HG2  VAL  54          3HG2      VAL  54   0.006   5.494  -6.241
  422    H    LEU  55           H        LEU  55   0.440   1.599  -2.241
  423    HA   LEU  55           HA       LEU  55   3.109   0.415  -2.652
  424   1HB   LEU  55          1HB       LEU  55   1.008   0.021  -0.491
  425   2HB   LEU  55          2HB       LEU  55   2.339  -1.126  -0.721
  426    HG   LEU  55           HG       LEU  55   2.803   1.866  -0.307
  427   1HD1  LEU  55          1HD1      LEU  55   1.532   0.849   1.646
  428   2HD1  LEU  55          2HD1      LEU  55   2.767  -0.420   1.754
  429   3HD1  LEU  55          3HD1      LEU  55   3.207   1.265   2.088
  430   1HD2  LEU  55          1HD2      LEU  55   4.678  -0.460   0.024
  431   2HD2  LEU  55          2HD2      LEU  55   4.649   0.812  -1.251
  432   3HD2  LEU  55          3HD2      LEU  55   4.940   1.262   0.445
  433    H    LEU  56           H        LEU  56   3.388  -1.311  -3.759
  434    HA   LEU  56           HA       LEU  56   1.059  -2.732  -4.826
  435   1HB   LEU  56          1HB       LEU  56   3.916  -2.309  -5.772
  436   2HB   LEU  56          2HB       LEU  56   3.020  -3.707  -6.341
  437    HG   LEU  56           HG       LEU  56   1.232  -2.180  -7.213
  438   1HD1  LEU  56          1HD1      LEU  56   1.700  -0.174  -5.865
  439   2HD1  LEU  56          2HD1      LEU  56   3.272   0.017  -6.692
  440   3HD1  LEU  56          3HD1      LEU  56   1.757   0.168  -7.607
  441   1HD2  LEU  56          1HD2      LEU  56   2.923  -3.169  -8.673
  442   2HD2  LEU  56          2HD2      LEU  56   2.504  -1.528  -9.195
  443   3HD2  LEU  56          3HD2      LEU  56   4.032  -1.817  -8.345
  444    H    GLY  57           H        GLY  57   0.695  -4.796  -4.691
  445   1HA   GLY  57          1HA       GLY  57   0.867  -7.025  -4.305
  446   2HA   GLY  57          2HA       GLY  57   1.958  -6.623  -2.959
  447    HA   PRO  58           HA       PRO  58   5.602  -7.520  -5.219
  448   1HB   PRO  58          1HB       PRO  58   6.074 -10.164  -4.392
  449   2HB   PRO  58          2HB       PRO  58   6.599  -8.677  -3.553
  450   1HG   PRO  58          1HG       PRO  58   4.183 -10.423  -3.036
  451   2HG   PRO  58          2HG       PRO  58   5.252  -9.580  -1.876
  452   1HD   PRO  58          1HD       PRO  58   2.813  -8.564  -2.527
  453   2HD   PRO  58          2HD       PRO  58   4.213  -7.488  -2.221
  454    H    GLN  59           H        GLN  59   2.886  -9.806  -5.486
  455    HA   GLN  59           HA       GLN  59   3.702 -11.119  -7.812
  456   1HB   GLN  59          1HB       GLN  59   1.296 -11.669  -8.090
  457   2HB   GLN  59          2HB       GLN  59   1.918 -12.039  -6.494
  458   1HG   GLN  59          1HG       GLN  59   0.565  -9.386  -6.867
  459   2HG   GLN  59          2HG       GLN  59  -0.442 -10.844  -6.844
  460   2HE2  GLN  59          2HE2      GLN  59  -1.485 -10.232  -4.885
  461   1HE2  GLN  59          1HE2      GLN  59  -0.626 -10.246  -3.388
  462    H    ILE  60           H        ILE  60   2.422  -7.863  -7.521
  463    HA   ILE  60           HA       ILE  60   2.279  -7.813 -10.462
  464    HB   ILE  60           HB       ILE  60   0.875  -5.868 -10.336
  465   1HG1  ILE  60          1HG1      ILE  60   0.226  -6.412  -7.443
  466   2HG1  ILE  60          2HG1      ILE  60   1.571  -5.334  -7.867
  467   1HG2  ILE  60          1HG2      ILE  60  -0.233  -8.355  -8.979
  468   2HG2  ILE  60          2HG2      ILE  60  -1.217  -7.073  -9.710
  469   3HG2  ILE  60          3HG2      ILE  60  -0.117  -8.043 -10.718
  470   1HD1  ILE  60          1HD1      ILE  60  -1.295  -4.979  -8.812
  471   2HD1  ILE  60          2HD1      ILE  60  -0.493  -4.052  -7.513
  472   3HD1  ILE  60          3HD1      ILE  60   0.079  -3.918  -9.192
  473    H    ALA  61           H        ALA  61   4.547  -7.513  -8.523
  474    HA   ALA  61           HA       ALA  61   5.466  -4.859  -8.519
  475   1HB   ALA  61          1HB       ALA  61   7.675  -5.923  -8.044
  476   2HB   ALA  61          2HB       ALA  61   6.363  -6.666  -7.091
  477   3HB   ALA  61          3HB       ALA  61   6.992  -7.498  -8.534
  478    H    TYR  62           H        TYR  62   5.653  -7.334 -11.051
  479    HA   TYR  62           HA       TYR  62   7.567  -6.103 -12.677
  480   1HB   TYR  62          1HB       TYR  62   6.744  -7.434 -14.448
  481   2HB   TYR  62          2HB       TYR  62   6.633  -8.396 -12.977
  482    HD1  TYR  62           HD1      TYR  62   4.870  -7.014 -15.795
  483    HD2  TYR  62           HD2      TYR  62   4.351  -8.807 -11.914
  484    HE1  TYR  62           HE1      TYR  62   2.490  -7.466 -16.301
  485    HE2  TYR  62           HE2      TYR  62   1.936  -9.024 -12.341
  486    HH   TYR  62           HH       TYR  62   0.281  -8.709 -13.826
  487    H    MET  63           H        MET  63   4.181  -5.127 -12.137
  488    HA   MET  63           HA       MET  63   4.217  -3.302 -14.355
  489   1HB   MET  63          1HB       MET  63   2.367  -4.131 -12.174
  490   2HB   MET  63          2HB       MET  63   2.016  -2.611 -13.051
  491   1HG   MET  63          1HG       MET  63   2.324  -4.087 -15.183
  492   2HG   MET  63          2HG       MET  63   2.122  -5.451 -14.074
  493   1HE   MET  63          1HE       MET  63  -0.149  -5.982 -12.772
  494   2HE   MET  63          2HE       MET  63  -0.075  -4.366 -12.008
  495   3HE   MET  63          3HE       MET  63  -1.579  -4.913 -12.787
  496    H    LEU  64           H        LEU  64   5.902  -3.003 -11.416
  497    HA   LEU  64           HA       LEU  64   5.173  -0.505 -10.513
  498   1HB   LEU  64          1HB       LEU  64   6.608  -1.934  -9.295
  499   2HB   LEU  64          2HB       LEU  64   7.863  -1.916 -10.504
  500    HG   LEU  64           HG       LEU  64   7.664   0.696 -10.259
  501   1HD1  LEU  64          1HD1      LEU  64   5.759   0.682  -8.707
  502   2HD1  LEU  64          2HD1      LEU  64   6.716  -0.248  -7.514
  503   3HD1  LEU  64          3HD1      LEU  64   7.178   1.415  -7.925
  504   1HD2  LEU  64          1HD2      LEU  64   9.166  -1.008  -8.252
  505   2HD2  LEU  64          2HD2      LEU  64   9.708  -0.427  -9.860
  506   3HD2  LEU  64          3HD2      LEU  64   9.417   0.738  -8.551
  507    HA   PRO  65           HA       PRO  65   8.090   1.582 -13.790
  508   1HB   PRO  65          1HB       PRO  65   7.514  -0.345 -16.048
  509   2HB   PRO  65          2HB       PRO  65   8.950   0.688 -15.777
  510   1HG   PRO  65          1HG       PRO  65   9.046  -1.951 -15.209
  511   2HG   PRO  65          2HG       PRO  65   9.842  -0.776 -14.131
  512   1HD   PRO  65          1HD       PRO  65   7.170  -2.192 -13.715
  513   2HD   PRO  65          2HD       PRO  65   8.426  -1.739 -12.534
  514    H    GLU  66           H        GLU  66   5.113  -0.251 -14.644
  515    HA   GLU  66           HA       GLU  66   4.223   1.731 -16.503
  516   1HB   GLU  66          1HB       GLU  66   3.823  -0.882 -16.343
  517   2HB   GLU  66          2HB       GLU  66   2.483  -0.409 -15.287
  518   1HG   GLU  66          1HG       GLU  66   1.570  -0.611 -17.488
  519   2HG   GLU  66          2HG       GLU  66   1.693   1.129 -17.174
  520    H    ILE  67           H        ILE  67   3.496   0.805 -13.147
  521    HA   ILE  67           HA       ILE  67   1.278   2.579 -12.694
  522    HB   ILE  67           HB       ILE  67   3.232   1.298 -10.836
  523   1HG1  ILE  67          1HG1      ILE  67   2.163  -0.376 -12.114
  524   2HG1  ILE  67          2HG1      ILE  67   1.539  -0.428 -10.448
  525   1HG2  ILE  67          1HG2      ILE  67   0.506   2.526 -10.338
  526   2HG2  ILE  67          2HG2      ILE  67   1.395   1.568  -9.113
  527   3HG2  ILE  67          3HG2      ILE  67   2.077   3.097  -9.717
  528   1HD1  ILE  67          1HD1      ILE  67  -0.558   0.651 -11.253
  529   2HD1  ILE  67          2HD1      ILE  67   0.061   0.549 -12.926
  530   3HD1  ILE  67          3HD1      ILE  67  -0.241  -0.924 -11.996
  531    H    GLN  68           H        GLN  68   4.840   2.736 -12.135
  532    HA   GLN  68           HA       GLN  68   5.038   5.238 -10.992
  533   1HB   GLN  68          1HB       GLN  68   6.769   3.323 -11.533
  534   2HB   GLN  68          2HB       GLN  68   6.967   4.175 -13.079
  535   1HG   GLN  68          1HG       GLN  68   8.634   5.188 -11.874
  536   2HG   GLN  68          2HG       GLN  68   7.270   6.275 -11.457
  537   2HE2  GLN  68          2HE2      GLN  68   6.994   6.652  -9.212
  538   1HE2  GLN  68          1HE2      GLN  68   7.738   5.523  -8.065
  539    H    ARG  69           H        ARG  69   4.911   4.254 -14.447
  540    HA   ARG  69           HA       ARG  69   5.357   6.646 -15.713
  541   1HB   ARG  69          1HB       ARG  69   5.480   4.516 -16.686
  542   2HB   ARG  69          2HB       ARG  69   3.809   4.129 -16.267
  543   1HG   ARG  69          1HG       ARG  69   3.789   4.518 -18.640
  544   2HG   ARG  69          2HG       ARG  69   3.122   5.992 -17.911
  545   1HD   ARG  69          1HD       ARG  69   5.176   7.182 -18.207
  546   2HD   ARG  69          2HD       ARG  69   6.025   5.698 -18.731
  547    HE   ARG  69           HE       ARG  69   4.562   5.656 -20.671
  548   1HH1  ARG  69          1HH1      ARG  69   4.340   8.687 -18.853
  549   2HH1  ARG  69          2HH1      ARG  69   3.680   9.589 -20.169
  550   1HH2  ARG  69          1HH2      ARG  69   3.537   6.831 -22.350
  551   2HH2  ARG  69          2HH2      ARG  69   3.211   8.516 -22.165
  552    H    LEU  70           H        LEU  70   2.344   5.129 -14.524
  553    HA   LEU  70           HA       LEU  70   0.450   7.060 -15.382
  554   1HB   LEU  70          1HB       LEU  70   0.631   4.797 -13.428
  555   2HB   LEU  70          2HB       LEU  70  -0.834   5.858 -13.416
  556    HG   LEU  70           HG       LEU  70   0.353   4.402 -15.754
  557   1HD1  LEU  70          1HD1      LEU  70  -1.869   3.488 -13.867
  558   2HD1  LEU  70          2HD1      LEU  70  -1.495   2.686 -15.404
  559   3HD1  LEU  70          3HD1      LEU  70  -0.279   2.715 -14.111
  560   1HD2  LEU  70          1HD2      LEU  70  -1.343   6.241 -16.316
  561   2HD2  LEU  70          2HD2      LEU  70  -2.033   4.642 -16.699
  562   3HD2  LEU  70          3HD2      LEU  70  -2.488   5.464 -15.202
  563    H    LEU  71           H        LEU  71   2.153   6.496 -12.293
  564    HA   LEU  71           HA       LEU  71   1.218   9.108 -11.257
  565   1HB   LEU  71          1HB       LEU  71   1.878   6.583  -9.736
  566   2HB   LEU  71          2HB       LEU  71   1.210   8.071  -9.057
  567    HG   LEU  71           HG       LEU  71  -0.262   6.493 -11.179
  568   1HD1  LEU  71          1HD1      LEU  71  -0.418   6.105  -8.160
  569   2HD1  LEU  71          2HD1      LEU  71  -1.505   5.366  -9.370
  570   3HD1  LEU  71          3HD1      LEU  71   0.209   4.936  -9.343
  571   1HD2  LEU  71          1HD2      LEU  71  -1.075   8.767 -10.774
  572   2HD2  LEU  71          2HD2      LEU  71  -2.258   7.553 -10.256
  573   3HD2  LEU  71          3HD2      LEU  71  -1.297   8.417  -9.044
  574    HA   PRO  72           HA       PRO  72   5.786   9.043 -11.069
  575   1HB   PRO  72          1HB       PRO  72   6.353  11.380 -12.434
  576   2HB   PRO  72          2HB       PRO  72   6.130   9.821 -13.280
  577   1HG   PRO  72          1HG       PRO  72   4.134  12.085 -12.877
  578   2HG   PRO  72          2HG       PRO  72   4.451  11.139 -14.343
  579   1HD   PRO  72          1HD       PRO  72   2.337  10.516 -12.676
  580   2HD   PRO  72          2HD       PRO  72   3.213   9.259 -13.561
  581    H    ASN  73           H        ASN  73   3.399  11.462 -10.335
  582    HA   ASN  73           HA       ASN  73   5.210  13.012  -8.705
  583   1HB   ASN  73          1HB       ASN  73   2.176  13.161  -8.937
  584   2HB   ASN  73          2HB       ASN  73   3.224  14.393  -8.225
  585   2HD2  ASN  73          2HD2      ASN  73   5.215  14.995  -9.945
  586   1HD2  ASN  73          1HD2      ASN  73   4.534  15.333 -11.520
  587    H    LYS  74           H        LYS  74   4.257  10.040  -8.055
  588    HA   LYS  74           HA       LYS  74   3.640  10.565  -5.241
  589   1HB   LYS  74          1HB       LYS  74   2.470   8.437  -7.065
  590   2HB   LYS  74          2HB       LYS  74   2.166   8.515  -5.321
  591   1HG   LYS  74          1HG       LYS  74   1.251  10.558  -7.396
  592   2HG   LYS  74          2HG       LYS  74   0.237   9.358  -6.580
  593   1HD   LYS  74          1HD       LYS  74   0.718  10.437  -4.405
  594   2HD   LYS  74          2HD       LYS  74   1.689  11.667  -5.231
  595   1HE   LYS  74          1HE       LYS  74  -0.309  12.419  -6.508
  596   2HE   LYS  74          2HE       LYS  74  -1.281  11.158  -5.764
  597   1HZ   LYS  74          1HZ       LYS  74  -0.802  12.091  -3.643
  598   2HZ   LYS  74          2HZ       LYS  74   0.092  13.286  -4.309
  599   3HZ   LYS  74          3HZ       LYS  74  -1.517  13.187  -4.617
  600    HA   PRO  75           HA       PRO  75   6.935   7.487  -4.870
  601   1HB   PRO  75          1HB       PRO  75   6.696   6.936  -2.211
  602   2HB   PRO  75          2HB       PRO  75   7.550   8.367  -2.838
  603   1HG   PRO  75          1HG       PRO  75   4.698   8.187  -1.754
  604   2HG   PRO  75          2HG       PRO  75   5.910   9.452  -1.457
  605   1HD   PRO  75          1HD       PRO  75   3.906   9.753  -3.301
  606   2HD   PRO  75          2HD       PRO  75   5.513  10.468  -3.593
  607    H    VAL  76           H        VAL  76   6.658   5.690  -5.761
  608    HA   VAL  76           HA       VAL  76   4.434   3.990  -4.900
  609    HB   VAL  76           HB       VAL  76   5.650   4.216  -7.720
  610   1HG1  VAL  76          1HG1      VAL  76   3.175   2.760  -6.738
  611   2HG1  VAL  76          2HG1      VAL  76   3.714   2.869  -8.442
  612   3HG1  VAL  76          3HG1      VAL  76   4.716   2.018  -7.234
  613   1HG2  VAL  76          1HG2      VAL  76   4.371   6.259  -7.237
  614   2HG2  VAL  76          2HG2      VAL  76   3.616   5.253  -8.498
  615   3HG2  VAL  76          3HG2      VAL  76   2.943   5.257  -6.839
  616    H    GLU  77           H        GLU  77   5.118   2.322  -3.898
  617    HA   GLU  77           HA       GLU  77   7.683   1.081  -4.657
  618   1HB   GLU  77          1HB       GLU  77   6.672   1.762  -1.870
  619   2HB   GLU  77          2HB       GLU  77   8.054   0.702  -2.180
  620   1HG   GLU  77          1HG       GLU  77   7.859   3.663  -2.879
  621   2HG   GLU  77          2HG       GLU  77   8.788   2.962  -1.546
  622    H    VAL  78           H        VAL  78   7.979  -1.036  -4.082
  623    HA   VAL  78           HA       VAL  78   5.529  -2.638  -4.034
  624    HB   VAL  78           HB       VAL  78   8.432  -3.260  -4.523
  625   1HG1  VAL  78          1HG1      VAL  78   5.978  -5.087  -4.870
  626   2HG1  VAL  78          2HG1      VAL  78   7.619  -5.495  -5.385
  627   3HG1  VAL  78          3HG1      VAL  78   7.251  -5.307  -3.656
  628   1HG2  VAL  78          1HG2      VAL  78   6.110  -3.103  -6.471
  629   2HG2  VAL  78          2HG2      VAL  78   7.501  -1.988  -6.308
  630   3HG2  VAL  78          3HG2      VAL  78   7.749  -3.668  -6.847
  631    H    ILE  79           H        ILE  79   4.976  -3.969  -2.340
  632    HA   ILE  79           HA       ILE  79   6.277  -3.761   0.246
  633    HB   ILE  79           HB       ILE  79   4.103  -5.621  -0.759
  634   1HG1  ILE  79          1HG1      ILE  79   3.633  -3.202   0.993
  635   2HG1  ILE  79          2HG1      ILE  79   3.756  -2.995  -0.749
  636   1HG2  ILE  79          1HG2      ILE  79   4.970  -4.905   2.072
  637   2HG2  ILE  79          2HG2      ILE  79   3.541  -5.876   1.643
  638   3HG2  ILE  79          3HG2      ILE  79   5.173  -6.460   1.245
  639   1HD1  ILE  79          1HD1      ILE  79   1.781  -4.833   0.683
  640   2HD1  ILE  79          2HD1      ILE  79   1.381  -3.254  -0.002
  641   3HD1  ILE  79          3HD1      ILE  79   1.868  -4.579  -1.076
  642    H    ASP  80           H        ASP  80   7.894  -4.928   0.908
  643    HA   ASP  80           HA       ASP  80   9.274  -6.896  -0.478
  644   1HB   ASP  80          1HB       ASP  80  10.239  -5.685   1.376
  645   2HB   ASP  80          2HB       ASP  80   9.007  -6.303   2.483
  646    H    SER  81           H        SER  81   8.910  -8.858  -1.031
  647    HA   SER  81           HA       SER  81   6.803 -10.367  -0.585
  648   1HB   SER  81          1HB       SER  81   9.676 -11.312  -1.020
  649   2HB   SER  81          2HB       SER  81   8.238 -12.323  -1.283
  650    HG   SER  81           HG       SER  81   8.923 -11.301  -3.255
  651    H    LEU  82           H        LEU  82   9.609 -10.172   1.620
  652    HA   LEU  82           HA       LEU  82   9.036 -12.517   3.144
  653   1HB   LEU  82          1HB       LEU  82  11.234 -11.765   2.843
  654   2HB   LEU  82          2HB       LEU  82  10.842 -10.118   3.349
  655    HG   LEU  82           HG       LEU  82  10.328 -11.005   5.629
  656   1HD1  LEU  82          1HD1      LEU  82  11.642 -13.539   4.545
  657   2HD1  LEU  82          2HD1      LEU  82  11.307 -13.236   6.264
  658   3HD1  LEU  82          3HD1      LEU  82   9.961 -13.390   5.119
  659   1HD2  LEU  82          1HD2      LEU  82  13.170 -11.435   4.627
  660   2HD2  LEU  82          2HD2      LEU  82  12.469  -9.919   5.259
  661   3HD2  LEU  82          3HD2      LEU  82  12.695 -11.314   6.330
  662    H    LEU  83           H        LEU  83   8.658  -8.943   3.795
  663    HA   LEU  83           HA       LEU  83   7.239  -9.100   6.137
  664   1HB   LEU  83          1HB       LEU  83   7.022  -7.166   3.815
  665   2HB   LEU  83          2HB       LEU  83   6.172  -6.917   5.340
  666    HG   LEU  83           HG       LEU  83   9.203  -7.129   5.038
  667   1HD1  LEU  83          1HD1      LEU  83   8.257  -5.017   4.078
  668   2HD1  LEU  83          2HD1      LEU  83   7.405  -4.723   5.606
  669   3HD1  LEU  83          3HD1      LEU  83   9.178  -4.718   5.569
  670   1HD2  LEU  83          1HD2      LEU  83   8.429  -7.930   7.202
  671   2HD2  LEU  83          2HD2      LEU  83   9.321  -6.395   7.342
  672   3HD2  LEU  83          3HD2      LEU  83   7.541  -6.397   7.468
  673    H    TYR  84           H        TYR  84   6.048  -9.286   2.838
  674    HA   TYR  84           HA       TYR  84   3.278  -9.439   3.320
  675   1HB   TYR  84          1HB       TYR  84   4.681  -9.070   1.152
  676   2HB   TYR  84          2HB       TYR  84   4.671 -10.830   1.041
  677    HD1  TYR  84           HD1      TYR  84   2.695 -12.022   0.283
  678    HD2  TYR  84           HD2      TYR  84   2.532  -7.803   1.108
  679    HE1  TYR  84           HE1      TYR  84   0.613 -11.830  -1.044
  680    HE2  TYR  84           HE2      TYR  84   0.417  -7.638  -0.145
  681    HH   TYR  84           HH       TYR  84  -1.166  -8.801  -1.284
  682    H    GLY  85           H        GLY  85   5.738 -12.053   2.977
  683   1HA   GLY  85          1HA       GLY  85   5.803 -14.204   3.609
  684   2HA   GLY  85          2HA       GLY  85   4.061 -14.275   3.292
  685    H    LYS  86           H        LYS  86   5.999 -12.458   5.736
  686    HA   LYS  86           HA       LYS  86   5.214 -14.048   7.957
  687   1HB   LYS  86          1HB       LYS  86   6.303 -11.232   7.696
  688   2HB   LYS  86          2HB       LYS  86   6.097 -12.070   9.259
  689   1HG   LYS  86          1HG       LYS  86   7.645 -13.878   8.212
  690   2HG   LYS  86          2HG       LYS  86   8.043 -12.627   7.015
  691   1HD   LYS  86          1HD       LYS  86   8.348 -12.316  10.011
  692   2HD   LYS  86          2HD       LYS  86   9.658 -12.710   8.881
  693   1HE   LYS  86          1HE       LYS  86   9.293 -10.520   7.742
  694   2HE   LYS  86          2HE       LYS  86   8.032 -10.137   8.948
  695   1HZ   LYS  86          1HZ       LYS  86  10.824 -10.712   9.560
  696   2HZ   LYS  86          2HZ       LYS  86  10.130  -9.231   9.567
  697   3HZ   LYS  86          3HZ       LYS  86   9.653 -10.351  10.645
  698    H    VAL  87           H        VAL  87   3.708 -11.490   6.207
  699    HA   VAL  87           HA       VAL  87   2.133 -10.052   6.418
  700    HB   VAL  87           HB       VAL  87   0.773 -11.971   8.332
  701   1HG1  VAL  87          1HG1      VAL  87  -0.337  -9.803   8.032
  702   2HG1  VAL  87          2HG1      VAL  87  -0.370 -10.042   6.272
  703   3HG1  VAL  87          3HG1      VAL  87  -1.293 -11.137   7.328
  704   1HG2  VAL  87          1HG2      VAL  87   1.554 -13.229   6.350
  705   2HG2  VAL  87          2HG2      VAL  87  -0.222 -13.080   6.375
  706   3HG2  VAL  87          3HG2      VAL  87   0.746 -12.054   5.287
  707    H    ASP  88           H        ASP  88   3.910  -8.945   7.522
  708    HA   ASP  88           HA       ASP  88   3.395  -8.306  10.352
  709   1HB   ASP  88          1HB       ASP  88   5.660  -9.115   9.568
  710   2HB   ASP  88          2HB       ASP  88   5.789  -7.632   8.610
  711    H    GLY  89           H        GLY  89   1.695  -7.025  10.151
  712   1HA   GLY  89          1HA       GLY  89   0.485  -5.093   9.942
  713   2HA   GLY  89          2HA       GLY  89   1.165  -5.025   8.303
  714    H    LEU  90           H        LEU  90   2.976  -4.759  11.382
  715    HA   LEU  90           HA       LEU  90   2.936  -1.901  11.475
  716   1HB   LEU  90          1HB       LEU  90   3.092  -3.386  13.435
  717   2HB   LEU  90          2HB       LEU  90   4.674  -3.948  12.869
  718    HG   LEU  90           HG       LEU  90   5.538  -1.659  13.000
  719   1HD1  LEU  90          1HD1      LEU  90   2.867  -0.972  14.307
  720   2HD1  LEU  90          2HD1      LEU  90   4.288   0.093  14.248
  721   3HD1  LEU  90          3HD1      LEU  90   3.463  -0.372  12.742
  722   1HD2  LEU  90          1HD2      LEU  90   4.312  -2.708  15.586
  723   2HD2  LEU  90          2HD2      LEU  90   5.878  -3.181  14.882
  724   3HD2  LEU  90          3HD2      LEU  90   5.638  -1.524  15.483
  725    H    GLY  91           H        GLY  91   5.317  -4.368  10.473
  726   1HA   GLY  91          1HA       GLY  91   7.026  -4.370   9.013
  727   2HA   GLY  91          2HA       GLY  91   7.515  -2.859   9.789
  728    H    VAL  92           H        VAL  92   4.646  -3.658   7.799
  729    HA   VAL  92           HA       VAL  92   5.535  -2.226   5.484
  730    HB   VAL  92           HB       VAL  92   2.801  -3.253   6.289
  731   1HG1  VAL  92          1HG1      VAL  92   3.929  -2.536   3.547
  732   2HG1  VAL  92          2HG1      VAL  92   2.357  -3.317   3.811
  733   3HG1  VAL  92          3HG1      VAL  92   2.629  -1.662   4.399
  734   1HG2  VAL  92          1HG2      VAL  92   4.971  -4.549   4.596
  735   2HG2  VAL  92          2HG2      VAL  92   4.391  -5.112   6.187
  736   3HG2  VAL  92          3HG2      VAL  92   3.323  -5.184   4.769
  737    H    LEU  93           H        LEU  93   3.338  -1.473   8.227
  738    HA   LEU  93           HA       LEU  93   2.375   0.961   7.320
  739   1HB   LEU  93          1HB       LEU  93   1.657  -0.413   9.333
  740   2HB   LEU  93          2HB       LEU  93   3.115   0.172  10.150
  741    HG   LEU  93           HG       LEU  93   2.318   2.511   9.878
  742   1HD1  LEU  93          1HD1      LEU  93   0.750   2.214   8.007
  743   2HD1  LEU  93          2HD1      LEU  93  -0.307   1.218   9.039
  744   3HD1  LEU  93          3HD1      LEU  93  -0.057   2.933   9.419
  745   1HD2  LEU  93          1HD2      LEU  93   0.462   0.659  11.430
  746   2HD2  LEU  93          2HD2      LEU  93   2.004   1.345  12.011
  747   3HD2  LEU  93          3HD2      LEU  93   0.624   2.403  11.674
  748    H    LYS  94           H        LYS  94   5.337   0.243   9.210
  749    HA   LYS  94           HA       LYS  94   6.151   2.925   9.467
  750   1HB   LYS  94          1HB       LYS  94   7.474   0.226   9.742
  751   2HB   LYS  94          2HB       LYS  94   8.473   1.678   9.835
  752   1HG   LYS  94          1HG       LYS  94   7.147   2.580  11.670
  753   2HG   LYS  94          2HG       LYS  94   5.973   1.263  11.526
  754   1HD   LYS  94          1HD       LYS  94   7.610  -0.355  12.303
  755   2HD   LYS  94          2HD       LYS  94   8.910   0.844  12.218
  756   1HE   LYS  94          1HE       LYS  94   6.533   1.182  14.100
  757   2HE   LYS  94          2HE       LYS  94   8.030   0.356  14.563
  758   1HZ   LYS  94          1HZ       LYS  94   7.847   3.094  13.571
  759   2HZ   LYS  94          2HZ       LYS  94   8.046   2.648  15.131
  760   3HZ   LYS  94          3HZ       LYS  94   9.213   2.325  14.038
  761    H    ALA  95           H        ALA  95   6.859   0.431   7.010
  762    HA   ALA  95           HA       ALA  95   8.798   1.915   5.601
  763   1HB   ALA  95          1HB       ALA  95   6.805  -0.256   4.760
  764   2HB   ALA  95          2HB       ALA  95   8.431  -0.562   5.401
  765   3HB   ALA  95          3HB       ALA  95   8.233   0.194   3.795
  766    H    ALA  96           H        ALA  96   5.273   1.659   5.344
  767    HA   ALA  96           HA       ALA  96   4.909   3.279   3.124
  768   1HB   ALA  96          1HB       ALA  96   3.179   1.784   4.088
  769   2HB   ALA  96          2HB       ALA  96   3.139   2.764   5.564
  770   3HB   ALA  96          3HB       ALA  96   2.540   3.449   4.033
  771    H    VAL  97           H        VAL  97   5.074   4.129   6.629
  772    HA   VAL  97           HA       VAL  97   4.378   6.850   6.239
  773    HB   VAL  97           HB       VAL  97   4.475   5.018   8.193
  774   1HG1  VAL  97          1HG1      VAL  97   6.816   5.111   8.634
  775   2HG1  VAL  97          2HG1      VAL  97   6.735   6.859   8.926
  776   3HG1  VAL  97          3HG1      VAL  97   5.907   5.744  10.051
  777   1HG2  VAL  97          1HG2      VAL  97   4.455   8.065   8.512
  778   2HG2  VAL  97          2HG2      VAL  97   3.038   7.043   8.169
  779   3HG2  VAL  97          3HG2      VAL  97   3.852   6.941   9.747
  780    H    ALA  98           H        ALA  98   7.350   5.043   6.146
  781    HA   ALA  98           HA       ALA  98   9.206   7.163   6.268
  782   1HB   ALA  98          1HB       ALA  98  10.720   5.451   5.185
  783   2HB   ALA  98          2HB       ALA  98   9.798   4.771   6.563
  784   3HB   ALA  98          3HB       ALA  98   9.258   4.465   4.892
  785    H    ALA  99           H        ALA  99   7.609   5.362   3.510
  786    HA   ALA  99           HA       ALA  99   8.671   6.881   1.468
  787   1HB   ALA  99          1HB       ALA  99   7.690   4.644   1.233
  788   2HB   ALA  99          2HB       ALA  99   6.776   5.764   0.186
  789   3HB   ALA  99          3HB       ALA  99   6.112   5.259   1.771
  790    H    ILE 100           H        ILE 100   5.771   7.482   3.469
  791    HA   ILE 100           HA       ILE 100   4.785   9.696   1.981
  792    HB   ILE 100           HB       ILE 100   4.640   8.911   4.884
  793   1HG1  ILE 100          1HG1      ILE 100   2.466   8.722   2.758
  794   2HG1  ILE 100          2HG1      ILE 100   3.595   7.405   3.073
  795   1HG2  ILE 100          1HG2      ILE 100   3.052  11.025   3.366
  796   2HG2  ILE 100          2HG2      ILE 100   2.663  10.477   5.025
  797   3HG2  ILE 100          3HG2      ILE 100   4.220  11.286   4.682
  798   1HD1  ILE 100          1HD1      ILE 100   1.622   8.571   5.077
  799   2HD1  ILE 100          2HD1      ILE 100   1.455   7.030   4.207
  800   3HD1  ILE 100          3HD1      ILE 100   2.749   7.236   5.402
  801    H    LYS 101           H        LYS 101   7.053   9.515   4.826
  802    HA   LYS 101           HA       LYS 101   7.777  12.221   4.865
  803   1HB   LYS 101          1HB       LYS 101   8.812   9.606   5.590
  804   2HB   LYS 101          2HB       LYS 101  10.020  10.949   5.633
  805   1HG   LYS 101          1HG       LYS 101   8.208  12.105   7.185
  806   2HG   LYS 101          2HG       LYS 101   7.591  10.445   7.371
  807   1HD   LYS 101          1HD       LYS 101   9.011  10.900   9.177
  808   2HD   LYS 101          2HD       LYS 101   9.826   9.718   8.130
  809   1HE   LYS 101          1HE       LYS 101  11.212  11.549   7.164
  810   2HE   LYS 101          2HE       LYS 101  10.401  12.712   8.238
  811   1HZ   LYS 101          1HZ       LYS 101  11.287  11.508  10.085
  812   2HZ   LYS 101          2HZ       LYS 101  12.031  10.436   9.095
  813   3HZ   LYS 101          3HZ       LYS 101  12.488  11.997   9.098
  814    H    LYS 102           H        LYS 102   8.122  10.177   2.244
  815    HA   LYS 102           HA       LYS 102   8.977  10.309   0.270
  816   1HB   LYS 102          1HB       LYS 102   9.152  12.868   1.060
  817   2HB   LYS 102          2HB       LYS 102  10.898  12.483   0.752
  818   1HG   LYS 102          1HG       LYS 102   8.706  11.997  -1.278
  819   2HG   LYS 102          2HG       LYS 102   9.696  13.476  -1.239
  820   1HD   LYS 102          1HD       LYS 102  11.722  12.240  -1.591
  821   2HD   LYS 102          2HD       LYS 102  10.887  10.692  -1.405
  822   1HE   LYS 102          1HE       LYS 102   9.597  11.129  -3.489
  823   2HE   LYS 102          2HE       LYS 102  10.442  12.674  -3.693
  824   1HZ   LYS 102          1HZ       LYS 102  11.716  10.034  -3.592
  825   2HZ   LYS 102          2HZ       LYS 102  11.463  10.924  -4.938
  826   3HZ   LYS 102          3HZ       LYS 102  12.493  11.450  -3.782
  827    H    ALA 103           H        ALA 103   9.645   8.459   1.037
  828    HA   ALA 103           HA       ALA 103  10.973   6.765   1.805
  829   1HB   ALA 103          1HB       ALA 103  12.859   8.154  -0.130
  830   2HB   ALA 103          2HB       ALA 103  13.065   6.496   0.483
  831   3HB   ALA 103          3HB       ALA 103  11.650   6.906  -0.514
  832    H    ALA 104           H        ALA 104  10.813   8.493   3.797
  833    HA   ALA 104           HA       ALA 104  11.607   9.763   5.370
  834   1HB   ALA 104          1HB       ALA 104  13.315   8.596   6.725
  835   2HB   ALA 104          2HB       ALA 104  12.039   7.522   6.061
  836   3HB   ALA 104          3HB       ALA 104  13.668   7.536   5.333
  837    H    ALA 105           H        ALA 105  12.005  11.344   3.602
  838    HA   ALA 105           HA       ALA 105  13.140  12.604   2.288
  839   1HB   ALA 105          1HB       ALA 105  14.101  13.402   5.050
  840   2HB   ALA 105          2HB       ALA 105  12.581  13.856   4.236
  841   3HB   ALA 105          3HB       ALA 105  14.140  14.448   3.606
  842    H    ASN 106           H        ASN 106  14.400  11.373   0.986
  843    HA   ASN 106           HA       ASN 106  17.257  11.338   1.501
  844   1HB   ASN 106          1HB       ASN 106  15.468   9.005   0.843
  845   2HB   ASN 106          2HB       ASN 106  17.031   9.097   0.031
  846   2HD2  ASN 106          2HD2      ASN 106  18.915   8.801   1.184
  847   1HD2  ASN 106          1HD2      ASN 106  18.921   8.211   2.844

  No H/Q in entry =         847