*HEADER    APOPTOSIS/INHIBITOR                     07-MAY-19   6OVC              
*TITLE     HMCL1 INHIBITOR COMPLEX                                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: INDUCED MYELOID LEUKEMIA CELL DIFFERENTIATION PROTEIN MCL- 
*COMPND   3 1;                                                                   
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 SYNONYM: BCL-2-LIKE PROTEIN 3,BCL2-L-3,BCL-2-RELATED PROTEIN         
*COMPND   6 EAT/MCL1,MCL1/EAT;                                                   
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: MCL1, BCL2L3;                                                  
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI K-12;                            
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 83333                                       
*KEYWDS    INHIBITOR, MCL1 SMALL MOLECULE COMPLEX, APOPTOSIS, APOPTOSIS-         
*KEYWDS   2 INHIBITOR COMPLEX                                                    
*EXPDTA    SOLUTION NMR                                                          
*AUTHOR    L.POPPE                                                               
*REVDAT   1   22-MAY-19 6OVC    0                                                
# Restraints file 1: NOE_restr.txt
D	4	0.5	1	2	LIG	165	H18	2	LIG	165	H8	
D	3	0.5	1	2	LIG	165	H18	2	LIG	165	H1	
D	4	0.5	1	2	LIG	165	H18	2	LIG	165	H3	
D	3	0.5	1	2	LIG	165	H5	2	LIG	165	H1	
D	2.5	0.5	1	2	LIG	165	H5	2	LIG	165	H3	
D	2.5	0.5	1	2	LIG	165	H9	2	LIG	165	H6	
D	2.5	0.5	1	2	LIG	165	H6	2	LIG	165	H4	
D	3.5	0.5	1	2	LIG	165	H18	2	LIG	165	H5	
D	2.5	0.5	1	2	LIG	165	H26	2	LIG	165	H9	
D	3	0.5	1	2	LIG	165	H26	2	LIG	165	H15	
D	3.5	0.5	1	2	LIG	165	H22	2	LIG	165	H11	
D	2.5	0.5	1	2	LIG	165	H21	2	LIG	165	H6	
D	2.5	0.5	1	2	LIG	165	H16	1	VAL	80	HG13	
D	4	1	1	2	LIG	165	H1	1	MET	62	HE3	
D	4	1	1	2	LIG	165	H16	1	MET	62	HE1	
D	4	1	1	2	LIG	165	H3	1	MET	62	HE3	
D	4	1	1	2	LIG	165	H17	1	LEU	66	HD23	
D	4	1	1	2	LIG	165	H17	1	LEU	77	HD22	
D	2.5	0.5	1	2	LIG	165	H5	1	VAL	84	HG22	
D	2.5	0.5	1	2	LIG	165	H5	1	VAL	84	HG13		
D	4	1	1	2	LIG	165	H16	1	MET	81	HE2	
D	3	1	1	2	LIG	165	H13	1	ALA	58	HB1	
D	4	1	1	2	LIG	165	H14	1	MET	62	HE3	
D	4	1	1	2	LIG	165	H14	1	MET	62	HE2	
D	4	1	1	2	LIG	165	H7	1	THR	97	HG21	
D	3	1	1	2	LIG	165	H7	1	THR	97	HB	
D	4	1	1	2	LIG	165	H8	1	PHE	101	HD1	
D	4	1	1	1	PHE	101	HD1	1	LEU	98	HD12	
D	2.5	0.5	1	2	LIG	165	H26	1	THR	97	HG22	
D	3	1	1	2	LIG	165	H23	1	HIS	55	HD2	
D	3	1	1	2	LIG	165	H25	1	ALA	58	HB2	
  Entry H atom name         Submitted Coord H atom name
    1    H1   MET   1           H1       MET   1  -1.148   1.783  -0.339
    2    H2   MET   1           H2       MET   1   0.450   1.515  -0.603
    3    H3   MET   1           H3       MET   1  -0.416   2.421  -1.660
    4    HA   MET   1           HA       MET   1  -0.797   4.109  -0.028
    5    HB2  MET   1           HB3      MET   1   0.947   2.350   1.735
    6    HB3  MET   1           HB2      MET   1   0.579   4.049   2.070
    7    HG2  MET   1           HG3      MET   1  -1.826   3.548   2.067
    8    HG3  MET   1           HG2      MET   1  -1.493   1.838   1.793
    9    HE1  MET   1           HE1      MET   1   0.084   0.685   5.179
   10    HE2  MET   1           HE2      MET   1   1.006   1.231   3.765
   11    HE3  MET   1           HE3      MET   1  -0.436   0.208   3.547
   12    H    GLU   2           H        GLU   2   2.530   2.663   0.165
   13    HA   GLU   2           HA       GLU   2   3.748   5.140  -0.553
   14    HB2  GLU   2           HB3      GLU   2   4.833   3.438   0.830
   15    HB3  GLU   2           HB2      GLU   2   4.895   2.325  -0.548
   16    HG2  GLU   2           HG3      GLU   2   6.398   3.843  -1.757
   17    HG3  GLU   2           HG2      GLU   2   6.200   5.081  -0.510
   18    H    ASP   3           H        ASP   3   4.630   5.884  -2.378
   19    HA   ASP   3           HA       ASP   3   4.677   4.430  -4.920
   20    HB2  ASP   3           HB3      ASP   3   2.343   5.402  -4.685
   21    HB3  ASP   3           HB2      ASP   3   3.069   7.005  -4.559
   22    H    GLU   4           H        GLU   4   5.701   6.065  -6.647
   23    HA   GLU   4           HA       GLU   4   7.984   7.432  -5.503
   24    HB2  GLU   4           HB3      GLU   4   6.781   7.457  -8.297
   25    HB3  GLU   4           HB2      GLU   4   8.266   8.300  -7.853
   26    HG2  GLU   4           HG3      GLU   4   7.805   5.292  -7.712
   27    HG3  GLU   4           HG2      GLU   4   8.791   6.154  -8.891
   28    H    LEU   5           H        LEU   5   4.687   8.436  -6.202
   29    HA   LEU   5           HA       LEU   5   5.175  11.270  -5.935
   30    HB2  LEU   5           HB3      LEU   5   3.228  10.246  -7.116
   31    HB3  LEU   5           HB2      LEU   5   2.637   9.628  -5.573
   32    HG   LEU   5           HG       LEU   5   2.318  11.962  -4.759
   33   HD11  LEU   5          HD11      LEU   5   2.429  13.845  -6.364
   34   HD12  LEU   5          HD12      LEU   5   3.134  12.768  -7.591
   35   HD13  LEU   5          HD13      LEU   5   4.030  13.144  -6.104
   36   HD21  LEU   5          HD21      LEU   5   0.478  10.769  -5.860
   37   HD22  LEU   5          HD22      LEU   5   1.003  11.402  -7.440
   38   HD23  LEU   5          HD23      LEU   5   0.409  12.509  -6.181
   39    H    TYR   6           H        TYR   6   4.978   8.651  -3.601
   40    HA   TYR   6           HA       TYR   6   4.086  10.229  -1.381
   41    HB2  TYR   6           HB3      TYR   6   3.922   7.756  -1.520
   42    HB3  TYR   6           HB2      TYR   6   5.673   7.657  -1.311
   43    HD1  TYR   6           HD1      TYR   6   6.533   7.425   0.876
   44    HD2  TYR   6           HD2      TYR   6   2.630   9.177   0.310
   45    HE1  TYR   6           HE1      TYR   6   6.258   7.596   3.334
   46    HE2  TYR   6           HE2      TYR   6   2.351   9.343   2.775
   47    HH   TYR   6           HH       TYR   6   4.914   8.294   5.050
   48    H    ARG   7           H        ARG   7   7.206   9.930  -2.917
   49    HA   ARG   7           HA       ARG   7   8.749  11.123  -0.747
   50    HB2  ARG   7           HB3      ARG   7   9.437  10.855  -3.703
   51    HB3  ARG   7           HB2      ARG   7  10.517  11.371  -2.414
   52    HG2  ARG   7           HG3      ARG   7  11.148   9.190  -2.549
   53    HG3  ARG   7           HG2      ARG   7   9.921   9.064  -1.294
   54    HD2  ARG   7           HD3      ARG   7   8.265   8.325  -3.037
   55    HD3  ARG   7           HD2      ARG   7   9.504   8.528  -4.273
   56    HE   ARG   7           HE       ARG   7  10.337   6.469  -3.747
   57   HH11  ARG   7          HH11      ARG   7   8.393   7.469  -0.960
   58   HH12  ARG   7          HH12      ARG   7   8.539   5.896  -0.200
   59   HH21  ARG   7          HH21      ARG   7  10.471   4.501  -2.702
   60   HH22  ARG   7          HH22      ARG   7   9.710   4.280  -1.144
   61    H    GLN   8           H        GLN   8   6.461  12.368  -2.900
   62    HA   GLN   8           HA       GLN   8   7.364  15.165  -2.455
   63    HB2  GLN   8           HB3      GLN   8   7.031  14.257  -4.816
   64    HB3  GLN   8           HB2      GLN   8   5.312  14.148  -4.452
   65    HG2  GLN   8           HG3      GLN   8   5.113  16.531  -4.238
   66    HG3  GLN   8           HG2      GLN   8   6.870  16.738  -4.150
   67   HE21  GLN   8          HE21      GLN   8   5.192  16.000  -7.864
   68   HE22  GLN   8          HE22      GLN   8   4.408  15.351  -6.438
   69    H    SER   9           H        SER   9   5.269  12.821  -1.207
   70    HA   SER   9           HA       SER   9   3.039  14.653  -0.527
   71    HB2  SER   9           HB3      SER   9   3.390  11.691   0.070
   72    HB3  SER   9           HB2      SER   9   1.928  12.650   0.301
   73    HG   SER   9           HG       SER   9   3.209  12.243  -2.209
   74    H    LEU  10           H        LEU  10   5.219  12.364   1.188
   75    HA   LEU  10           HA       LEU  10   4.550  13.264   3.821
   76    HB2  LEU  10           HB3      LEU  10   5.294  11.018   3.092
   77    HB3  LEU  10           HB2      LEU  10   6.891  11.627   2.736
   78    HG   LEU  10           HG       LEU  10   6.536  10.257   4.837
   79   HD11  LEU  10          HD11      LEU  10   8.583  11.527   4.486
   80   HD12  LEU  10          HD12      LEU  10   8.131  11.457   6.195
   81   HD13  LEU  10          HD13      LEU  10   7.865  12.943   5.272
   82   HD21  LEU  10          HD21      LEU  10   5.759  11.333   6.867
   83   HD22  LEU  10          HD22      LEU  10   4.475  11.308   5.653
   84   HD23  LEU  10          HD23      LEU  10   5.360  12.816   5.974
   85    H    GLU  11           H        GLU  11   6.911  14.269   1.460
   86    HA   GLU  11           HA       GLU  11   8.619  15.817   3.185
   87    HB2  GLU  11           HB3      GLU  11   8.267  15.310   0.239
   88    HB3  GLU  11           HB2      GLU  11   9.205  16.705   0.727
   89    HG2  GLU  11           HG3      GLU  11  10.615  14.691   0.358
   90    HG3  GLU  11           HG2      GLU  11  10.777  15.400   1.959
   91    H    ILE  12           H        ILE  12   5.453  16.491   2.288
   92    HA   ILE  12           HA       ILE  12   5.802  19.444   2.396
   93    HB   ILE  12           HB       ILE  12   3.392  17.645   1.935
   94   HG12  ILE  12          HG13      ILE  12   4.747  19.755   0.231
   95   HG13  ILE  12          HG12      ILE  12   5.120  18.040   0.095
   96   HG21  ILE  12          HG21      ILE  12   3.460  20.696   2.121
   97   HG22  ILE  12          HG22      ILE  12   2.614  19.603   3.237
   98   HG23  ILE  12          HG23      ILE  12   2.073  19.727   1.576
   99   HD11  ILE  12          HD11      ILE  12   3.649  18.641  -1.693
  100   HD12  ILE  12          HD12      ILE  12   2.448  19.311  -0.582
  101   HD13  ILE  12          HD13      ILE  12   2.796  17.561  -0.574
  102    H    ILE  13           H        ILE  13   4.653  16.690   4.316
  103    HA   ILE  13           HA       ILE  13   3.589  18.515   6.376
  104    HB   ILE  13           HB       ILE  13   3.187  15.587   5.748
  105   HG12  ILE  13          HG13      ILE  13   1.291  17.992   5.736
  106   HG13  ILE  13          HG12      ILE  13   2.140  17.443   4.303
  107   HG21  ILE  13          HG21      ILE  13   1.500  15.538   7.550
  108   HG22  ILE  13          HG22      ILE  13   1.909  17.205   8.007
  109   HG23  ILE  13          HG23      ILE  13   3.085  15.889   8.222
  110   HD11  ILE  13          HD11      ILE  13   0.987  15.338   4.282
  111   HD12  ILE  13          HD12      ILE  13  -0.163  16.678   4.317
  112   HD13  ILE  13          HD13      ILE  13   0.127  15.746   5.789
  113    H    SER  14           H        SER  14   6.113  15.955   6.105
  114    HA   SER  14           HA       SER  14   6.943  16.165   8.855
  115    HB2  SER  14           HB3      SER  14   9.001  15.086   8.127
  116    HB3  SER  14           HB2      SER  14   7.592  14.272   7.433
  117    HG   SER  14           HG       SER  14   8.010  15.202   5.479
  118    H    ARG  15           H        ARG  15   7.475  18.260   6.100
  119    HA   ARG  15           HA       ARG  15   9.669  19.756   7.402
  120    HB2  ARG  15           HB3      ARG  15   8.296  19.848   4.712
  121    HB3  ARG  15           HB2      ARG  15   9.267  21.209   5.265
  122    HG2  ARG  15           HG3      ARG  15  10.571  19.752   3.838
  123    HG3  ARG  15           HG2      ARG  15  11.251  19.810   5.464
  124    HD2  ARG  15           HD3      ARG  15  10.375  17.598   5.972
  125    HD3  ARG  15           HD2      ARG  15   9.435  17.576   4.482
  126    HE   ARG  15           HE       ARG  15  11.329  17.063   3.244
  127   HH11  ARG  15          HH11      ARG  15  12.344  17.760   6.559
  128   HH12  ARG  15          HH12      ARG  15  13.935  17.087   6.310
  129   HH21  ARG  15          HH21      ARG  15  13.375  16.203   2.994
  130   HH22  ARG  15          HH22      ARG  15  14.511  16.236   4.316
  131    H    TYR  16           H        TYR  16   6.152  20.126   6.910
  132    HA   TYR  16           HA       TYR  16   6.184  22.859   7.955
  133    HB2  TYR  16           HB3      TYR  16   4.562  22.232   6.261
  134    HB3  TYR  16           HB2      TYR  16   3.883  20.995   7.324
  135    HD1  TYR  16           HD1      TYR  16   4.534  24.686   7.073
  136    HD2  TYR  16           HD2      TYR  16   2.232  21.567   8.956
  137    HE1  TYR  16           HE1      TYR  16   3.145  26.403   8.213
  138    HE2  TYR  16           HE2      TYR  16   0.831  23.283  10.077
  139    HH   TYR  16           HH       TYR  16   1.432  26.793   9.690
  140    H    LEU  17           H        LEU  17   5.646  19.612   9.311
  141    HA   LEU  17           HA       LEU  17   4.775  20.436  11.918
  142    HB2  LEU  17           HB3      LEU  17   6.048  18.007  10.674
  143    HB3  LEU  17           HB2      LEU  17   6.162  18.172  12.409
  144    HG   LEU  17           HG       LEU  17   3.874  18.074  12.775
  145   HD11  LEU  17          HD11      LEU  17   3.240  18.218   9.805
  146   HD12  LEU  17          HD12      LEU  17   2.945  19.507  10.979
  147   HD13  LEU  17          HD13      LEU  17   2.091  17.970  11.119
  148   HD21  LEU  17          HD21      LEU  17   4.933  15.919  12.238
  149   HD22  LEU  17          HD22      LEU  17   4.491  16.124  10.529
  150   HD23  LEU  17          HD23      LEU  17   3.226  15.927  11.754
  151    H    ARG  18           H        ARG  18   7.897  20.549  10.339
  152    HA   ARG  18           HA       ARG  18   9.299  21.403  12.810
  153    HB2  ARG  18           HB3      ARG  18  10.126  20.521  10.048
  154    HB3  ARG  18           HB2      ARG  18  11.212  21.543  10.975
  155    HG2  ARG  18           HG3      ARG  18  11.676  19.115  11.204
  156    HG3  ARG  18           HG2      ARG  18  11.439  19.960  12.735
  157    HD2  ARG  18           HD3      ARG  18   9.251  19.022  13.035
  158    HD3  ARG  18           HD2      ARG  18   9.213  18.387  11.393
  159    HE   ARG  18           HE       ARG  18  10.755  17.325  13.700
  160   HH11  ARG  18          HH11      ARG  18   9.888  16.902  10.279
  161   HH12  ARG  18          HH12      ARG  18  10.439  15.232  10.290
  162   HH21  ARG  18          HH21      ARG  18  11.367  15.132  13.583
  163   HH22  ARG  18          HH22      ARG  18  11.210  14.298  12.051
  164    H    GLU  19           H        GLU  19   7.563  22.944  10.234
  165    HA   GLU  19           HA       GLU  19   9.004  25.454  10.332
  166    HB2  GLU  19           HB3      GLU  19   7.466  24.726   8.477
  167    HB3  GLU  19           HB2      GLU  19   6.096  25.001   9.569
  168    HG2  GLU  19           HG3      GLU  19   6.806  27.381   9.823
  169    HG3  GLU  19           HG2      GLU  19   8.152  27.084   8.727
  170    H    GLN  20           H        GLN  20   6.417  24.005  12.270
  171    HA   GLN  20           HA       GLN  20   6.116  26.514  13.834
  172    HB2  GLN  20           HB3      GLN  20   4.433  24.003  13.910
  173    HB3  GLN  20           HB2      GLN  20   4.042  25.568  14.618
  174    HG2  GLN  20           HG3      GLN  20   4.233  24.904  11.641
  175    HG3  GLN  20           HG2      GLN  20   2.777  25.255  12.539
  176   HE21  GLN  20          HE21      GLN  20   3.995  26.618  10.142
  177   HE22  GLN  20          HE22      GLN  20   4.106  28.300  10.614
  178    H    ALA  21           H        ALA  21   7.614  23.399  14.103
  179    HA   ALA  21           HA       ALA  21   7.827  23.602  17.050
  180    HB1  ALA  21           HB1      ALA  21   8.754  21.408  15.164
  181    HB2  ALA  21           HB2      ALA  21   7.157  21.475  15.949
  182    HB3  ALA  21           HB3      ALA  21   8.622  21.331  16.931
  183    H    THR  22           H        THR  22   9.814  24.103  14.161
  184    HA   THR  22           HA       THR  22  12.109  24.877  15.889
  185    HB   THR  22           HB       THR  22  13.716  23.748  14.567
  186    HG1  THR  22           HG1      THR  22  11.555  23.109  12.882
  187   HG21  THR  22          HG21      THR  22  12.623  22.343  16.293
  188   HG22  THR  22          HG22      THR  22  13.267  21.412  14.929
  189   HG23  THR  22          HG23      THR  22  11.520  21.699  15.053
  190    H    GLY  23           H        GLY  23  10.003  25.984  13.577
  191    HA2  GLY  23           HA3      GLY  23  10.000  28.051  12.542
  192    HA3  GLY  23           HA2      GLY  23  11.692  28.273  12.955
  193    H    ALA  24           H        ALA  24  11.488  25.289  11.372
  194    HA   ALA  24           HA       ALA  24  12.839  26.435   9.057
  195    HB1  ALA  24           HB1      ALA  24  13.393  24.087   8.578
  196    HB2  ALA  24           HB2      ALA  24  12.324  23.557   9.896
  197    HB3  ALA  24           HB3      ALA  24  13.770  24.526  10.256
  198    H    LYS  25           H        LYS  25  11.552  27.312   7.524
  199    HA   LYS  25           HA       LYS  25   9.167  25.888   6.541
  200    HB2  LYS  25           HB3      LYS  25   8.575  27.871   5.391
  201    HB3  LYS  25           HB2      LYS  25   9.057  28.281   7.019
  202    HG2  LYS  25           HG3      LYS  25  10.099  29.971   5.954
  203    HG3  LYS  25           HG2      LYS  25  11.419  28.800   5.871
  204    HD2  LYS  25           HD3      LYS  25  10.708  28.212   3.558
  205    HD3  LYS  25           HD2      LYS  25   9.355  29.337   3.673
  206    HE2  LYS  25           HE3      LYS  25  10.910  31.217   3.917
  207    HE3  LYS  25           HE2      LYS  25  12.293  30.108   3.914
  208    HZ1  LYS  25           HZ1      LYS  25  10.389  30.440   1.677
  209    HZ2  LYS  25           HZ2      LYS  25  11.700  29.455   1.681
  210    HZ3  LYS  25           HZ3      LYS  25  11.903  31.083   1.732
  211    H    ASP  26           H        ASP  26  12.255  25.356   5.974
  212    HA   ASP  26           HA       ASP  26  13.531  24.374   4.470
  213    HB2  ASP  26           HB3      ASP  26  11.742  22.770   4.193
  214    HB3  ASP  26           HB2      ASP  26  10.988  23.764   2.943
  215    H    THR  27           H        THR  27  14.869  24.801   2.779
  216    HA   THR  27           HA       THR  27  14.161  27.012   0.900
  217    HB   THR  27           HB       THR  27  16.456  27.890   1.164
  218    HG1  THR  27           HG1      THR  27  17.677  27.179   2.922
  219   HG21  THR  27          HG21      THR  27  14.589  28.870   2.490
  220   HG22  THR  27          HG22      THR  27  16.164  29.010   3.291
  221   HG23  THR  27          HG23      THR  27  15.000  27.787   3.839
  222    H    LYS  28           H        LYS  28  14.945  23.824   1.031
  223    HA   LYS  28           HA       LYS  28  16.351  23.822  -1.605
  224    HB2  LYS  28           HB3      LYS  28  16.995  22.097   0.816
  225    HB3  LYS  28           HB2      LYS  28  17.673  21.905  -0.803
  226    HG2  LYS  28           HG3      LYS  28  18.572  24.287  -0.606
  227    HG3  LYS  28           HG2      LYS  28  18.071  24.265   1.086
  228    HD2  LYS  28           HD3      LYS  28  20.065  22.355  -0.206
  229    HD3  LYS  28           HD2      LYS  28  20.458  23.738   0.827
  230    HE2  LYS  28           HE3      LYS  28  19.153  22.682   2.687
  231    HE3  LYS  28           HE2      LYS  28  18.881  21.265   1.661
  232    HZ1  LYS  28           HZ1      LYS  28  21.281  20.955   1.577
  233    HZ2  LYS  28           HZ2      LYS  28  20.760  20.948   3.130
  234    HZ3  LYS  28           HZ3      LYS  28  21.523  22.267   2.529
  235    HA   PRO  29           HA       PRO  29  12.477  21.566  -2.192
  236    HB2  PRO  29           HB3      PRO  29  13.830  20.959  -4.813
  237    HB3  PRO  29           HB2      PRO  29  12.114  21.364  -4.512
  238    HG2  PRO  29           HG3      PRO  29  13.783  23.261  -5.377
  239    HG3  PRO  29           HG2      PRO  29  12.651  23.633  -4.057
  240    HD2  PRO  29           HD3      PRO  29  15.602  23.040  -3.853
  241    HD3  PRO  29           HD2      PRO  29  14.616  24.237  -2.963
  242    H    MET  30           H        MET  30  11.782  19.522  -2.074
  243    HA   MET  30           HA       MET  30  13.665  18.005  -0.587
  244    HB2  MET  30           HB3      MET  30  10.695  17.562  -1.062
  245    HB3  MET  30           HB2      MET  30  11.689  16.811   0.187
  246    HG2  MET  30           HG3      MET  30  10.512  18.507   1.269
  247    HG3  MET  30           HG2      MET  30  12.169  19.070   1.148
  248    HE1  MET  30           HE1      MET  30   9.527  22.170   1.058
  249    HE2  MET  30           HE2      MET  30  10.611  21.242   2.118
  250    HE3  MET  30           HE3      MET  30   9.043  20.561   1.636
  251    H    GLY  31           H        GLY  31  13.378  15.535  -0.440
  252    HA2  GLY  31           HA3      GLY  31  14.962  14.484  -2.401
  253    HA3  GLY  31           HA2      GLY  31  14.030  13.506  -1.276
  254    H    ARG  32           H        ARG  32  14.838  13.216  -4.136
  255    HA   ARG  32           HA       ARG  32  14.145  12.630  -6.191
  256    HB2  ARG  32           HB3      ARG  32  11.642  11.519  -4.882
  257    HB3  ARG  32           HB2      ARG  32  12.323  11.095  -6.460
  258    HG2  ARG  32           HG3      ARG  32  14.421  10.317  -5.213
  259    HG3  ARG  32           HG2      ARG  32  13.498  10.542  -3.713
  260    HD2  ARG  32           HD3      ARG  32  11.724   8.994  -4.765
  261    HD3  ARG  32           HD2      ARG  32  12.936   8.617  -5.997
  262    HE   ARG  32           HE       ARG  32  13.989   8.335  -3.312
  263   HH11  ARG  32          HH11      ARG  32  12.025   6.578  -5.684
  264   HH12  ARG  32          HH12      ARG  32  12.446   5.030  -5.002
  265   HH21  ARG  32          HH21      ARG  32  14.437   6.321  -2.465
  266   HH22  ARG  32          HH22      ARG  32  13.770   4.889  -3.201
  267    H    SER  33           H        SER  33  10.792  12.817  -6.204
  268    HA   SER  33           HA       SER  33  10.743  15.448  -7.524
  269    HB2  SER  33           HB3      SER  33   8.520  13.515  -6.752
  270    HB3  SER  33           HB2      SER  33   8.301  15.029  -7.650
  271    HG   SER  33           HG       SER  33   9.943  12.860  -8.464
  272    H    GLY  34           H        GLY  34  10.492  17.326  -6.472
  273    HA2  GLY  34           HA3      GLY  34   9.104  17.546  -3.895
  274    HA3  GLY  34           HA2      GLY  34  10.857  17.713  -3.817
  275    H    ALA  35           H        ALA  35   9.655  18.959  -6.790
  276    HA   ALA  35           HA       ALA  35  10.079  21.722  -6.035
  277    HB1  ALA  35           HB1      ALA  35  10.542  20.905  -8.300
  278    HB2  ALA  35           HB2      ALA  35   9.290  22.162  -8.344
  279    HB3  ALA  35           HB3      ALA  35   8.834  20.454  -8.514
  280    H    THR  36           H        THR  36   7.198  19.632  -6.477
  281    HA   THR  36           HA       THR  36   5.217  21.633  -5.837
  282    HB   THR  36           HB       THR  36   5.125  18.633  -5.444
  283    HG1  THR  36           HG1      THR  36   4.003  19.966  -7.632
  284   HG21  THR  36          HG21      THR  36   2.895  20.684  -5.685
  285   HG22  THR  36          HG22      THR  36   3.258  19.639  -4.297
  286   HG23  THR  36          HG23      THR  36   2.667  18.920  -5.795
  287    H    SER  37           H        SER  37   7.294  19.474  -3.862
  288    HA   SER  37           HA       SER  37   5.920  19.988  -1.416
  289    HB2  SER  37           HB3      SER  37   8.808  19.152  -1.813
  290    HB3  SER  37           HB2      SER  37   7.895  19.064  -0.298
  291    HG   SER  37           HG       SER  37   6.444  17.632  -1.403
  292    H    ARG  38           H        ARG  38   8.595  21.667  -3.046
  293    HA   ARG  38           HA       ARG  38   9.103  23.580  -0.967
  294    HB2  ARG  38           HB3      ARG  38  10.638  22.964  -2.853
  295    HB3  ARG  38           HB2      ARG  38   9.548  23.767  -3.973
  296    HG2  ARG  38           HG3      ARG  38  11.295  25.290  -3.586
  297    HG3  ARG  38           HG2      ARG  38   9.935  25.925  -2.696
  298    HD2  ARG  38           HD3      ARG  38  12.008  24.157  -1.332
  299    HD3  ARG  38           HD2      ARG  38  12.346  25.859  -1.621
  300    HE   ARG  38           HE       ARG  38  10.638  24.775   0.425
  301   HH11  ARG  38          HH11      ARG  38  11.095  27.637  -1.597
  302   HH12  ARG  38          HH12      ARG  38  10.166  28.656  -0.526
  303   HH21  ARG  38          HH21      ARG  38   9.513  26.201   1.811
  304   HH22  ARG  38          HH22      ARG  38   9.208  27.840   1.279
  305    H    LYS  39           H        LYS  39   6.967  23.649  -3.847
  306    HA   LYS  39           HA       LYS  39   5.938  26.291  -3.550
  307    HB2  LYS  39           HB3      LYS  39   4.797  23.753  -4.782
  308    HB3  LYS  39           HB2      LYS  39   3.978  25.307  -4.865
  309    HG2  LYS  39           HG3      LYS  39   5.685  26.300  -6.181
  310    HG3  LYS  39           HG2      LYS  39   6.787  24.934  -5.954
  311    HD2  LYS  39           HD3      LYS  39   5.225  23.437  -7.137
  312    HD3  LYS  39           HD2      LYS  39   4.071  24.755  -7.352
  313    HE2  LYS  39           HE3      LYS  39   6.909  24.763  -8.468
  314    HE3  LYS  39           HE2      LYS  39   5.502  24.158  -9.356
  315    HZ1  LYS  39           HZ1      LYS  39   5.828  26.913  -8.360
  316    HZ2  LYS  39           HZ2      LYS  39   4.502  26.347  -9.152
  317    HZ3  LYS  39           HZ3      LYS  39   5.949  26.438  -9.922
  318    H    ALA  40           H        ALA  40   4.853  23.209  -2.112
  319    HA   ALA  40           HA       ALA  40   2.440  24.313  -0.968
  320    HB1  ALA  40           HB1      ALA  40   3.945  21.728  -0.454
  321    HB2  ALA  40           HB2      ALA  40   2.629  21.965  -1.625
  322    HB3  ALA  40           HB3      ALA  40   2.302  22.091   0.115
  323    H    LEU  41           H        LEU  41   5.772  23.833   0.262
  324    HA   LEU  41           HA       LEU  41   5.143  24.497   2.985
  325    HB2  LEU  41           HB3      LEU  41   7.577  24.017   1.349
  326    HB3  LEU  41           HB2      LEU  41   7.801  25.239   2.573
  327    HG   LEU  41           HG       LEU  41   8.474  23.033   3.358
  328   HD11  LEU  41          HD11      LEU  41   7.416  23.062   5.524
  329   HD12  LEU  41          HD12      LEU  41   6.033  23.984   4.913
  330   HD13  LEU  41          HD13      LEU  41   7.640  24.730   4.981
  331   HD21  LEU  41          HD21      LEU  41   6.835  21.294   3.872
  332   HD22  LEU  41          HD22      LEU  41   6.880  21.618   2.139
  333   HD23  LEU  41          HD23      LEU  41   5.540  22.237   3.126
  334    H    GLU  42           H        GLU  42   5.943  26.517   0.151
  335    HA   GLU  42           HA       GLU  42   6.126  29.012   1.564
  336    HB2  GLU  42           HB3      GLU  42   5.206  28.367  -1.266
  337    HB3  GLU  42           HB2      GLU  42   5.431  29.998  -0.651
  338    HG2  GLU  42           HG3      GLU  42   7.658  27.940  -0.769
  339    HG3  GLU  42           HG2      GLU  42   7.318  29.101  -2.044
  340    H    THR  43           H        THR  43   3.341  27.222   0.186
  341    HA   THR  43           HA       THR  43   1.396  29.278   0.635
  342    HB   THR  43           HB       THR  43   0.983  26.282   0.283
  343    HG1  THR  43           HG1      THR  43   2.126  27.161  -1.441
  344   HG21  THR  43          HG21      THR  43  -1.195  26.939  -0.705
  345   HG22  THR  43          HG22      THR  43  -0.893  28.632  -0.242
  346   HG23  THR  43          HG23      THR  43  -1.099  27.379   1.001
  347    H    LEU  44           H        LEU  44   2.418  26.483   2.619
  348    HA   LEU  44           HA       LEU  44   0.319  26.663   4.547
  349    HB2  LEU  44           HB3      LEU  44   3.042  25.333   4.517
  350    HB3  LEU  44           HB2      LEU  44   1.951  25.212   5.893
  351    HG   LEU  44           HG       LEU  44   1.077  24.358   3.124
  352   HD11  LEU  44          HD11      LEU  44   3.062  23.034   3.808
  353   HD12  LEU  44          HD12      LEU  44   1.584  22.059   3.784
  354   HD13  LEU  44          HD13      LEU  44   2.247  22.619   5.333
  355   HD21  LEU  44          HD21      LEU  44  -0.588  23.036   4.395
  356   HD22  LEU  44          HD22      LEU  44  -0.751  24.755   4.764
  357   HD23  LEU  44          HD23      LEU  44   0.052  23.678   5.923
  358    H    ARG  45           H        ARG  45   3.036  28.735   4.190
  359    HA   ARG  45           HA       ARG  45   3.435  29.564   6.903
  360    HB2  ARG  45           HB3      ARG  45   3.706  31.127   4.302
  361    HB3  ARG  45           HB2      ARG  45   4.308  31.657   5.874
  362    HG2  ARG  45           HG3      ARG  45   5.779  29.656   6.000
  363    HG3  ARG  45           HG2      ARG  45   5.256  29.182   4.379
  364    HD2  ARG  45           HD3      ARG  45   6.677  31.768   5.114
  365    HD3  ARG  45           HD2      ARG  45   7.427  30.347   4.371
  366    HE   ARG  45           HE       ARG  45   5.248  31.135   2.736
  367   HH11  ARG  45          HH11      ARG  45   8.444  32.356   3.624
  368   HH12  ARG  45          HH12      ARG  45   8.617  33.257   2.136
  369   HH21  ARG  45          HH21      ARG  45   5.525  32.377   0.854
  370   HH22  ARG  45          HH22      ARG  45   7.011  33.244   0.613
  371    H    ARG  46           H        ARG  46   0.733  30.099   4.789
  372    HA   ARG  46           HA       ARG  46  -0.385  32.082   6.716
  373    HB2  ARG  46           HB3      ARG  46   0.221  33.160   4.621
  374    HB3  ARG  46           HB2      ARG  46  -0.694  31.965   3.708
  375    HG2  ARG  46           HG3      ARG  46  -1.933  33.980   3.730
  376    HG3  ARG  46           HG2      ARG  46  -2.812  32.853   4.750
  377    HD2  ARG  46           HD3      ARG  46  -0.915  35.012   5.786
  378    HD3  ARG  46           HD2      ARG  46  -2.648  35.247   5.574
  379    HE   ARG  46           HE       ARG  46  -3.015  33.374   7.185
  380   HH11  ARG  46          HH11      ARG  46   0.037  35.157   7.443
  381   HH12  ARG  46          HH12      ARG  46   0.304  34.605   9.079
  382   HH21  ARG  46          HH21      ARG  46  -2.575  32.700   9.251
  383   HH22  ARG  46          HH22      ARG  46  -1.115  33.219  10.059
  384    H    VAL  47           H        VAL  47  -1.283  29.429   4.412
  385    HA   VAL  47           HA       VAL  47  -3.984  29.436   5.474
  386    HB   VAL  47           HB       VAL  47  -4.531  27.702   3.999
  387   HG11  VAL  47          HG11      VAL  47  -4.166  29.979   3.047
  388   HG12  VAL  47          HG12      VAL  47  -3.938  28.675   1.873
  389   HG13  VAL  47          HG13      VAL  47  -2.525  29.479   2.563
  390   HG21  VAL  47          HG21      VAL  47  -1.573  27.265   3.461
  391   HG22  VAL  47          HG22      VAL  47  -2.904  26.568   2.521
  392   HG23  VAL  47          HG23      VAL  47  -2.701  26.119   4.216
  393    H    GLY  48           H        GLY  48  -1.098  27.474   6.140
  394    HA2  GLY  48           HA3      GLY  48  -2.442  25.645   7.973
  395    HA3  GLY  48           HA2      GLY  48  -0.703  25.892   7.767
  396    H    ASP  49           H        ASP  49  -0.436  28.616   8.293
  397    HA   ASP  49           HA       ASP  49  -0.424  28.655  11.144
  398    HB2  ASP  49           HB3      ASP  49   1.273  29.717   9.703
  399    HB3  ASP  49           HB2      ASP  49   0.061  30.862   9.110
  400    H    GLY  50           H        GLY  50  -2.721  30.013   8.802
  401    HA2  GLY  50           HA3      GLY  50  -4.142  31.741  10.622
  402    HA3  GLY  50           HA2      GLY  50  -4.710  31.120   9.064
  403    H    VAL  51           H        VAL  51  -4.166  28.278  10.113
  404    HA   VAL  51           HA       VAL  51  -6.739  27.928  11.521
  405    HB   VAL  51           HB       VAL  51  -4.960  25.955  10.058
  406   HG11  VAL  51          HG11      VAL  51  -7.678  25.647  11.389
  407   HG12  VAL  51          HG12      VAL  51  -6.197  24.751  11.777
  408   HG13  VAL  51          HG13      VAL  51  -7.002  24.486  10.226
  409   HG21  VAL  51          HG21      VAL  51  -7.697  27.138   9.361
  410   HG22  VAL  51          HG22      VAL  51  -6.779  25.961   8.395
  411   HG23  VAL  51          HG23      VAL  51  -6.174  27.607   8.591
  412    H    GLN  52           H        GLN  52  -3.351  27.922  12.263
  413    HA   GLN  52           HA       GLN  52  -3.612  26.619  14.856
  414    HB2  GLN  52           HB3      GLN  52  -1.543  28.585  13.805
  415    HB3  GLN  52           HB2      GLN  52  -1.453  27.735  15.342
  416    HG2  GLN  52           HG3      GLN  52  -1.552  25.546  14.050
  417    HG3  GLN  52           HG2      GLN  52  -1.313  26.505  12.578
  418   HE21  GLN  52          HE21      GLN  52   2.052  27.596  13.679
  419   HE22  GLN  52          HE22      GLN  52   0.584  28.334  13.082
  420    H    ARG  53           H        ARG  53  -4.990  29.465  13.688
  421    HA   ARG  53           HA       ARG  53  -5.413  30.433  16.476
  422    HB2  ARG  53           HB3      ARG  53  -5.439  32.744  15.690
  423    HB3  ARG  53           HB2      ARG  53  -3.872  31.974  15.450
  424    HG2  ARG  53           HG3      ARG  53  -4.272  31.713  13.073
  425    HG3  ARG  53           HG2      ARG  53  -5.953  32.263  13.246
  426    HD2  ARG  53           HD3      ARG  53  -5.215  34.497  13.881
  427    HD3  ARG  53           HD2      ARG  53  -3.533  33.963  13.952
  428    HE   ARG  53           HE       ARG  53  -3.337  34.346  11.724
  429   HH11  ARG  53          HH11      ARG  53  -6.805  33.846  12.254
  430   HH12  ARG  53          HH12      ARG  53  -7.200  34.283  10.613
  431   HH21  ARG  53          HH21      ARG  53  -3.922  34.909   9.654
  432   HH22  ARG  53          HH22      ARG  53  -5.595  34.850   9.163
  433    H    ASN  54           H        ASN  54  -6.953  29.003  13.942
  434    HA   ASN  54           HA       ASN  54  -9.582  30.255  14.657
  435    HB2  ASN  54           HB3      ASN  54  -8.708  28.831  12.117
  436    HB3  ASN  54           HB2      ASN  54 -10.363  29.284  12.487
  437   HD21  ASN  54          HD21      ASN  54  -9.514  30.232  10.192
  438   HD22  ASN  54          HD22      ASN  54  -9.148  31.943  10.294
  439    H    HIS  55           H        HIS  55  -7.817  27.165  14.399
  440    HA   HIS  55           HA       HIS  55 -10.124  25.790  15.715
  441    HB2  HIS  55           HB3      HIS  55  -8.251  24.696  13.589
  442    HB3  HIS  55           HB2      HIS  55  -9.468  23.760  14.445
  443    HD1  HIS  55           HD1      HIS  55  -9.405  24.422  11.200
  444    HD2  HIS  55           HD2      HIS  55 -11.918  25.926  14.230
  445    HE1  HIS  55           HE1      HIS  55 -11.593  25.120  10.050
  446    HE2  HIS  55           HE2      HIS  55 -13.111  26.044  11.908
  447    H    GLU  56           H        GLU  56  -7.210  26.935  16.568
  448    HA   GLU  56           HA       GLU  56  -6.039  24.564  17.712
  449    HB2  GLU  56           HB3      GLU  56  -4.762  26.466  16.922
  450    HB3  GLU  56           HB2      GLU  56  -5.390  27.473  18.237
  451    HG2  GLU  56           HG3      GLU  56  -4.223  26.156  19.892
  452    HG3  GLU  56           HG2      GLU  56  -3.871  24.876  18.728
  453    H    THR  57           H        THR  57  -8.665  26.452  18.797
  454    HA   THR  57           HA       THR  57  -8.477  25.840  21.635
  455    HB   THR  57           HB       THR  57 -10.883  26.406  19.855
  456    HG1  THR  57           HG1      THR  57  -9.316  28.085  20.064
  457   HG21  THR  57          HG21      THR  57 -12.004  27.069  21.990
  458   HG22  THR  57          HG22      THR  57 -10.629  26.396  22.898
  459   HG23  THR  57          HG23      THR  57 -11.666  25.336  21.914
  460    H    ALA  58           H        ALA  58  -9.669  24.094  18.750
  461    HA   ALA  58           HA       ALA  58 -10.599  21.791  20.286
  462    HB1  ALA  58           HB1      ALA  58 -11.058  20.826  18.096
  463    HB2  ALA  58           HB2      ALA  58 -10.158  22.125  17.291
  464    HB3  ALA  58           HB3      ALA  58 -11.667  22.489  18.161
  465    H    PHE  59           H        PHE  59  -7.540  22.788  18.761
  466    HA   PHE  59           HA       PHE  59  -6.337  20.166  18.722
  467    HB2  PHE  59           HB3      PHE  59  -4.976  22.866  18.929
  468    HB3  PHE  59           HB2      PHE  59  -4.214  21.348  18.518
  469    HD1  PHE  59           HD1      PHE  59  -3.578  23.475  16.848
  470    HD2  PHE  59           HD2      PHE  59  -7.095  20.971  16.641
  471    HE1  PHE  59           HE1      PHE  59  -3.846  24.034  14.449
  472    HE2  PHE  59           HE2      PHE  59  -7.350  21.540  14.265
  473    HZ   PHE  59           HZ       PHE  59  -5.725  23.055  13.151
  474    H    GLN  60           H        GLN  60  -6.383  22.809  21.156
  475    HA   GLN  60           HA       GLN  60  -4.753  21.453  23.103
  476    HB2  GLN  60           HB3      GLN  60  -6.816  23.683  23.282
  477    HB3  GLN  60           HB2      GLN  60  -5.913  23.119  24.683
  478    HG2  GLN  60           HG3      GLN  60  -4.522  24.175  22.184
  479    HG3  GLN  60           HG2      GLN  60  -5.061  25.202  23.502
  480   HE21  GLN  60          HE21      GLN  60  -3.015  25.894  24.186
  481   HE22  GLN  60          HE22      GLN  60  -1.850  24.804  24.914
  482    H    GLY  61           H        GLY  61  -8.210  21.285  22.330
  483    HA2  GLY  61           HA3      GLY  61  -9.041  19.735  24.608
  484    HA3  GLY  61           HA2      GLY  61  -9.854  19.862  23.042
  485    H    MET  62           H        MET  62  -6.914  18.883  22.090
  486    HA   MET  62           HA       MET  62  -7.256  15.973  22.601
  487    HB2  MET  62           HB3      MET  62  -6.635  17.251  19.931
  488    HB3  MET  62           HB2      MET  62  -6.838  15.520  20.241
  489    HG2  MET  62           HG3      MET  62  -9.212  15.920  20.873
  490    HG3  MET  62           HG2      MET  62  -9.016  17.625  20.495
  491    HE1  MET  62           HE1      MET  62  -6.990  16.587  17.673
  492    HE2  MET  62           HE2      MET  62  -7.708  18.179  18.074
  493    HE3  MET  62           HE3      MET  62  -8.153  17.342  16.578
  494    H    LEU  63           H        LEU  63  -5.331  18.293  23.467
  495    HA   LEU  63           HA       LEU  63  -2.836  16.724  23.131
  496    HB2  LEU  63           HB3      LEU  63  -2.954  18.488  21.378
  497    HB3  LEU  63           HB2      LEU  63  -3.074  19.719  22.637
  498    HG   LEU  63           HG       LEU  63  -0.803  19.224  23.405
  499   HD11  LEU  63          HD11      LEU  63  -0.488  16.888  23.131
  500   HD12  LEU  63          HD12      LEU  63   0.603  17.614  21.942
  501   HD13  LEU  63          HD13      LEU  63  -0.952  16.928  21.426
  502   HD21  LEU  63          HD21      LEU  63   0.421  19.913  21.374
  503   HD22  LEU  63          HD22      LEU  63  -1.095  20.798  21.566
  504   HD23  LEU  63          HD23      LEU  63  -0.983  19.484  20.375
  505    H    ARG  64           H        ARG  64  -4.761  18.966  25.084
  506    HA   ARG  64           HA       ARG  64  -2.990  18.537  27.427
  507    HB2  ARG  64           HB3      ARG  64  -5.799  19.703  27.222
  508    HB3  ARG  64           HB2      ARG  64  -4.798  19.638  28.676
  509    HG2  ARG  64           HG3      ARG  64  -3.082  21.062  27.552
  510    HG3  ARG  64           HG2      ARG  64  -4.138  21.187  26.132
  511    HD2  ARG  64           HD3      ARG  64  -5.908  22.210  27.513
  512    HD3  ARG  64           HD2      ARG  64  -4.881  22.099  28.945
  513    HE   ARG  64           HE       ARG  64  -4.731  24.050  26.779
  514   HH11  ARG  64          HH11      ARG  64  -2.830  22.605  29.390
  515   HH12  ARG  64          HH12      ARG  64  -1.761  23.981  29.489
  516   HH21  ARG  64          HH21      ARG  64  -3.321  25.771  26.958
  517   HH22  ARG  64          HH22      ARG  64  -2.030  25.735  28.129
  518    H    LYS  65           H        LYS  65  -5.725  17.090  25.801
  519    HA   LYS  65           HA       LYS  65  -6.527  15.299  27.944
  520    HB2  LYS  65           HB3      LYS  65  -8.050  16.222  26.228
  521    HB3  LYS  65           HB2      LYS  65  -7.177  15.343  24.967
  522    HG2  LYS  65           HG3      LYS  65  -7.789  13.184  26.080
  523    HG3  LYS  65           HG2      LYS  65  -8.706  14.084  27.295
  524    HD2  LYS  65           HD3      LYS  65  -9.240  14.161  24.288
  525    HD3  LYS  65           HD2      LYS  65 -10.092  13.111  25.431
  526    HE2  LYS  65           HE3      LYS  65 -10.965  15.047  26.647
  527    HE3  LYS  65           HE2      LYS  65 -10.048  16.152  25.611
  528    HZ1  LYS  65           HZ1      LYS  65 -12.191  14.351  24.679
  529    HZ2  LYS  65           HZ2      LYS  65 -11.332  15.384  23.734
  530    HZ3  LYS  65           HZ3      LYS  65 -12.328  15.972  24.893
  531    H    LEU  66           H        LEU  66  -4.727  14.894  24.858
  532    HA   LEU  66           HA       LEU  66  -4.079  12.092  25.446
  533    HB2  LEU  66           HB3      LEU  66  -3.469  14.011  23.178
  534    HB3  LEU  66           HB2      LEU  66  -2.662  12.458  23.319
  535    HG   LEU  66           HG       LEU  66  -4.739  11.231  23.140
  536   HD11  LEU  66          HD11      LEU  66  -6.410  12.712  24.093
  537   HD12  LEU  66          HD12      LEU  66  -6.843  12.365  22.420
  538   HD13  LEU  66          HD13      LEU  66  -6.113  13.930  22.831
  539   HD21  LEU  66          HD21      LEU  66  -3.471  11.803  21.126
  540   HD22  LEU  66          HD22      LEU  66  -4.357  13.334  20.967
  541   HD23  LEU  66          HD23      LEU  66  -5.203  11.798  20.755
  542    H    ASP  67           H        ASP  67  -2.500  15.231  25.730
  543    HA   ASP  67           HA       ASP  67  -0.424  15.923  26.208
  544    HB2  ASP  67           HB3      ASP  67  -1.360  15.256  28.401
  545    HB3  ASP  67           HB2      ASP  67  -0.518  13.708  28.272
  546    H    ILE  68           H        ILE  68  -0.011  15.028  23.988
  547    HA   ILE  68           HA       ILE  68   1.329  12.572  23.586
  548    HB   ILE  68           HB       ILE  68   1.190  15.041  21.812
  549   HG12  ILE  68          HG13      ILE  68  -0.568  12.545  21.950
  550   HG13  ILE  68          HG12      ILE  68  -1.037  14.173  22.439
  551   HG21  ILE  68          HG21      ILE  68   3.015  13.454  21.136
  552   HG22  ILE  68          HG22      ILE  68   1.736  13.552  19.946
  553   HG23  ILE  68          HG23      ILE  68   1.806  12.160  21.034
  554   HD11  ILE  68          HD11      ILE  68  -0.787  14.946  20.087
  555   HD12  ILE  68          HD12      ILE  68  -2.033  13.717  20.317
  556   HD13  ILE  68          HD13      ILE  68  -0.486  13.258  19.598
  557    H    LYS  69           H        LYS  69   3.174  12.113  24.527
  558    HA   LYS  69           HA       LYS  69   5.535  13.916  24.291
  559    HB2  LYS  69           HB3      LYS  69   4.372  12.657  26.803
  560    HB3  LYS  69           HB2      LYS  69   6.034  13.240  26.711
  561    HG2  LYS  69           HG3      LYS  69   5.206  15.509  26.061
  562    HG3  LYS  69           HG2      LYS  69   3.546  14.947  26.300
  563    HD2  LYS  69           HD3      LYS  69   3.995  14.452  28.647
  564    HD3  LYS  69           HD2      LYS  69   5.706  14.893  28.455
  565    HE2  LYS  69           HE3      LYS  69   5.155  17.191  27.975
  566    HE3  LYS  69           HE2      LYS  69   3.430  16.815  27.865
  567    HZ1  LYS  69           HZ1      LYS  69   5.044  16.596  30.324
  568    HZ2  LYS  69           HZ2      LYS  69   3.443  16.258  30.196
  569    HZ3  LYS  69           HZ3      LYS  69   3.974  17.794  29.990
  570    H    ASN  70           H        ASN  70   4.540  11.210  23.109
  571    HA   ASN  70           HA       ASN  70   7.189   9.916  23.115
  572    HB2  ASN  70           HB3      ASN  70   4.609   8.397  23.738
  573    HB3  ASN  70           HB2      ASN  70   6.191   7.675  23.476
  574   HD21  ASN  70          HD21      ASN  70   4.130   9.314  25.767
  575   HD22  ASN  70          HD22      ASN  70   5.216   9.154  27.140
  576    H    GLU  71           H        GLU  71   7.329   8.286  21.348
  577    HA   GLU  71           HA       GLU  71   5.780   8.940  18.961
  578    HB2  GLU  71           HB3      GLU  71   7.066   7.178  17.893
  579    HB3  GLU  71           HB2      GLU  71   8.106   8.316  18.747
  580    HG2  GLU  71           HG3      GLU  71   8.377   6.701  20.607
  581    HG3  GLU  71           HG2      GLU  71   7.312   5.560  19.773
  582    H    ASP  72           H        ASP  72   5.347   6.754  21.650
  583    HA   ASP  72           HA       ASP  72   3.491   4.953  20.331
  584    HB2  ASP  72           HB3      ASP  72   4.819   4.335  22.318
  585    HB3  ASP  72           HB2      ASP  72   3.984   5.569  23.270
  586    H    ASP  73           H        ASP  73   3.211   8.100  21.912
  587    HA   ASP  73           HA       ASP  73   0.290   8.104  22.031
  588    HB2  ASP  73           HB3      ASP  73   2.334  10.340  22.291
  589    HB3  ASP  73           HB2      ASP  73   0.605  10.496  22.614
  590    H    VAL  74           H        VAL  74   2.255   8.033  19.436
  591    HA   VAL  74           HA       VAL  74   0.641   9.886  17.723
  592    HB   VAL  74           HB       VAL  74   3.616   9.238  17.733
  593   HG11  VAL  74          HG11      VAL  74   2.021  10.765  15.653
  594   HG12  VAL  74          HG12      VAL  74   2.930   9.255  15.399
  595   HG13  VAL  74          HG13      VAL  74   3.801  10.729  15.793
  596   HG21  VAL  74          HG21      VAL  74   2.966  10.998  19.307
  597   HG22  VAL  74          HG22      VAL  74   2.064  11.846  18.036
  598   HG23  VAL  74          HG23      VAL  74   3.835  11.709  17.948
  599    H    LYS  75           H        LYS  75   2.490   6.802  17.817
  600    HA   LYS  75           HA       LYS  75   1.578   5.897  15.230
  601    HB2  LYS  75           HB3      LYS  75   2.912   4.537  17.599
  602    HB3  LYS  75           HB2      LYS  75   2.499   3.681  16.105
  603    HG2  LYS  75           HG3      LYS  75   3.885   5.152  14.767
  604    HG3  LYS  75           HG2      LYS  75   4.235   6.192  16.153
  605    HD2  LYS  75           HD3      LYS  75   5.434   4.361  17.278
  606    HD3  LYS  75           HD2      LYS  75   5.045   3.262  15.932
  607    HE2  LYS  75           HE3      LYS  75   6.254   4.754  14.367
  608    HE3  LYS  75           HE2      LYS  75   6.651   5.846  15.705
  609    HZ1  LYS  75           HZ1      LYS  75   7.919   4.074  16.714
  610    HZ2  LYS  75           HZ2      LYS  75   8.459   4.333  15.195
  611    HZ3  LYS  75           HZ3      LYS  75   7.518   3.029  15.507
  612    H    SER  76           H        SER  76   0.158   5.771  18.429
  613    HA   SER  76           HA       SER  76  -1.895   3.809  17.834
  614    HB2  SER  76           HB3      SER  76  -1.809   6.048  19.900
  615    HB3  SER  76           HB2      SER  76  -2.993   4.730  19.842
  616    HG   SER  76           HG       SER  76  -0.248   4.641  20.455
  617    H    LEU  77           H        LEU  77  -1.490   7.209  17.045
  618    HA   LEU  77           HA       LEU  77  -4.336   7.675  16.532
  619    HB2  LEU  77           HB3      LEU  77  -1.948   9.449  15.934
  620    HB3  LEU  77           HB2      LEU  77  -3.640   9.915  15.925
  621    HG   LEU  77           HG       LEU  77  -2.030   9.098  18.374
  622   HD11  LEU  77          HD11      LEU  77  -2.309  11.450  19.018
  623   HD12  LEU  77          HD12      LEU  77  -3.204  11.780  17.519
  624   HD13  LEU  77          HD13      LEU  77  -1.484  11.329  17.459
  625   HD21  LEU  77          HD21      LEU  77  -4.370   8.398  18.680
  626   HD22  LEU  77          HD22      LEU  77  -4.938  10.005  18.169
  627   HD23  LEU  77          HD23      LEU  77  -4.017   9.808  19.678
  628    H    SER  78           H        SER  78  -1.942   6.104  14.745
  629    HA   SER  78           HA       SER  78  -2.563   7.115  12.104
  630    HB2  SER  78           HB3      SER  78  -1.286   4.485  12.943
  631    HB3  SER  78           HB2      SER  78  -1.302   5.173  11.308
  632    HG   SER  78           HG       SER  78  -0.026   6.192  13.627
  633    H    ARG  79           H        ARG  79  -4.170   4.825  14.201
  634    HA   ARG  79           HA       ARG  79  -5.869   3.658  12.122
  635    HB2  ARG  79           HB3      ARG  79  -5.324   2.464  14.173
  636    HB3  ARG  79           HB2      ARG  79  -6.059   3.715  15.170
  637    HG2  ARG  79           HG3      ARG  79  -7.725   2.287  13.071
  638    HG3  ARG  79           HG2      ARG  79  -7.328   1.470  14.584
  639    HD2  ARG  79           HD3      ARG  79  -8.360   3.251  15.902
  640    HD3  ARG  79           HD2      ARG  79  -8.750   4.157  14.435
  641    HE   ARG  79           HE       ARG  79  -9.812   1.458  14.387
  642   HH11  ARG  79          HH11      ARG  79 -10.493   4.700  15.619
  643   HH12  ARG  79          HH12      ARG  79 -12.213   4.416  15.682
  644   HH21  ARG  79          HH21      ARG  79 -12.031   1.153  14.504
  645   HH22  ARG  79          HH22      ARG  79 -13.065   2.438  15.069
  646    H    VAL  80           H        VAL  80  -6.028   6.428  14.339
  647    HA   VAL  80           HA       VAL  80  -8.813   6.915  14.157
  648    HB   VAL  80           HB       VAL  80  -6.551   8.846  14.825
  649   HG11  VAL  80          HG11      VAL  80  -9.534   9.029  15.419
  650   HG12  VAL  80          HG12      VAL  80  -8.590  10.117  14.374
  651   HG13  VAL  80          HG13      VAL  80  -8.281  10.084  16.109
  652   HG21  VAL  80          HG21      VAL  80  -8.295   7.116  16.638
  653   HG22  VAL  80          HG22      VAL  80  -7.093   8.308  17.178
  654   HG23  VAL  80          HG23      VAL  80  -6.568   6.859  16.319
  655    H    MET  81           H        MET  81  -6.100   8.223  12.193
  656    HA   MET  81           HA       MET  81  -7.758  10.192  10.957
  657    HB2  MET  81           HB3      MET  81  -5.035   9.266  10.006
  658    HB3  MET  81           HB2      MET  81  -5.851  10.788   9.634
  659    HG2  MET  81           HG3      MET  81  -4.719   9.876  12.282
  660    HG3  MET  81           HG2      MET  81  -4.194  11.230  11.300
  661    HE1  MET  81           HE1      MET  81  -4.859  11.118  14.518
  662    HE2  MET  81           HE2      MET  81  -5.506  12.762  14.693
  663    HE3  MET  81           HE3      MET  81  -4.091  12.473  13.656
  664    H    ILE  82           H        ILE  82  -7.514   6.863  10.209
  665    HA   ILE  82           HA       ILE  82  -8.120   6.816   7.425
  666    HB   ILE  82           HB       ILE  82  -9.086   4.999   9.682
  667   HG12  ILE  82          HG13      ILE  82  -6.722   4.597   7.796
  668   HG13  ILE  82          HG12      ILE  82  -6.570   5.188   9.452
  669   HG21  ILE  82          HG21      ILE  82  -9.007   4.508   6.669
  670   HG22  ILE  82          HG22      ILE  82 -10.468   4.691   7.664
  671   HG23  ILE  82          HG23      ILE  82  -9.439   3.296   7.896
  672   HD11  ILE  82          HD11      ILE  82  -7.595   3.068  10.291
  673   HD12  ILE  82          HD12      ILE  82  -6.033   2.873   9.472
  674   HD13  ILE  82          HD13      ILE  82  -7.523   2.429   8.633
  675    H    HIS  83           H        HIS  83 -10.136   7.309  10.310
  676    HA   HIS  83           HA       HIS  83 -12.642   7.456   8.822
  677    HB2  HIS  83           HB3      HIS  83 -12.100   7.983  11.763
  678    HB3  HIS  83           HB2      HIS  83 -13.644   7.577  11.011
  679    HD2  HIS  83           HD2      HIS  83 -10.626   6.012  12.611
  680    HE1  HIS  83           HE1      HIS  83 -12.517   2.768  10.606
  681    HE2  HIS  83           HE2      HIS  83 -10.694   3.413  12.266
  682    H    VAL  84           H        VAL  84 -10.243   9.740   9.852
  683    HA   VAL  84           HA       VAL  84 -11.976  12.088   9.911
  684    HB   VAL  84           HB       VAL  84  -8.946  11.789   9.826
  685   HG11  VAL  84          HG11      VAL  84  -9.522  14.021   9.003
  686   HG12  VAL  84          HG12      VAL  84  -8.881  14.132  10.639
  687   HG13  VAL  84          HG13      VAL  84 -10.633  14.267  10.372
  688   HG21  VAL  84          HG21      VAL  84  -9.948  10.883  11.900
  689   HG22  VAL  84          HG22      VAL  84 -10.879  12.370  12.119
  690   HG23  VAL  84          HG23      VAL  84  -9.103  12.391  12.241
  691    H    PHE  85           H        PHE  85  -9.962  10.430   7.483
  692    HA   PHE  85           HA       PHE  85 -10.328  12.574   5.522
  693    HB2  PHE  85           HB3      PHE  85  -9.039   9.855   5.206
  694    HB3  PHE  85           HB2      PHE  85  -8.977  11.181   4.052
  695    HD1  PHE  85           HD1      PHE  85  -6.874   9.471   5.915
  696    HD2  PHE  85           HD2      PHE  85  -8.311  13.539   5.747
  697    HE1  PHE  85           HE1      PHE  85  -4.773  10.265   6.959
  698    HE2  PHE  85           HE2      PHE  85  -6.200  14.318   6.781
  699    HZ   PHE  85           HZ       PHE  85  -4.414  12.676   7.358
  700    H    SER  86           H        SER  86 -10.857   9.082   5.004
  701    HA   SER  86           HA       SER  86 -12.030   8.046   3.426
  702    HB2  SER  86           HB3      SER  86 -13.913   8.478   4.967
  703    HB3  SER  86           HB2      SER  86 -14.347   9.908   4.020
  704    HG   SER  86           HG       SER  86 -14.646   8.540   2.221
  705    H    ASP  87           H        ASP  87 -13.895  10.796   2.285
  706    HA   ASP  87           HA       ASP  87 -12.385  10.905  -0.215
  707    HB2  ASP  87           HB3      ASP  87 -14.839  11.158  -0.130
  708    HB3  ASP  87           HB2      ASP  87 -14.664  12.616   0.852
  709    H    GLY  88           H        GLY  88 -12.435  12.715   2.809
  710    HA2  GLY  88           HA3      GLY  88 -11.139  14.331   3.691
  711    HA3  GLY  88           HA2      GLY  88  -9.947  13.987   2.444
  712    H    VAL  89           H        VAL  89 -12.846  14.931   1.009
  713    HA   VAL  89           HA       VAL  89 -13.491  16.578  -0.285
  714    HB   VAL  89           HB       VAL  89 -12.290  18.451   1.763
  715   HG11  VAL  89          HG11      VAL  89 -12.584  19.666  -0.318
  716   HG12  VAL  89          HG12      VAL  89 -13.858  20.124   0.806
  717   HG13  VAL  89          HG13      VAL  89 -14.224  19.004  -0.525
  718   HG21  VAL  89          HG21      VAL  89 -14.712  18.648   2.448
  719   HG22  VAL  89          HG22      VAL  89 -14.052  17.031   2.712
  720   HG23  VAL  89          HG23      VAL  89 -15.104  17.345   1.314
  721    H    THR  90           H        THR  90 -12.929  17.183  -2.210
  722    HA   THR  90           HA       THR  90 -10.150  16.845  -3.010
  723    HB   THR  90           HB       THR  90 -12.648  17.349  -4.664
  724    HG1  THR  90           HG1      THR  90 -12.706  15.445  -3.427
  725   HG21  THR  90          HG21      THR  90  -9.898  16.305  -5.480
  726   HG22  THR  90          HG22      THR  90 -10.734  17.747  -6.111
  727   HG23  THR  90          HG23      THR  90 -11.368  16.149  -6.469
  728    H    ASN  91           H        ASN  91 -11.788  19.593  -1.966
  729    HA   ASN  91           HA       ASN  91 -10.268  21.548  -3.526
  730    HB2  ASN  91           HB3      ASN  91 -11.739  21.799  -0.865
  731    HB3  ASN  91           HB2      ASN  91 -11.079  23.124  -1.811
  732   HD21  ASN  91          HD21      ASN  91 -11.978  23.495  -4.017
  733   HD22  ASN  91          HD22      ASN  91 -13.650  23.056  -4.313
  734    H    TRP  92           H        TRP  92  -9.487  19.351  -1.025
  735    HA   TRP  92           HA       TRP  92  -7.758  18.915   0.255
  736    HB2  TRP  92           HB3      TRP  92  -6.018  20.894  -1.176
  737    HB3  TRP  92           HB2      TRP  92  -5.588  19.342  -0.482
  738    HD1  TRP  92           HD1      TRP  92  -6.554  21.003  -3.636
  739    HE1  TRP  92           HE1      TRP  92  -6.880  19.358  -5.561
  740    HE3  TRP  92           HE3      TRP  92  -6.448  16.617  -0.987
  741    HZ2  TRP  92           HZ2      TRP  92  -7.199  16.519  -5.902
  742    HZ3  TRP  92           HZ3      TRP  92  -6.768  14.450  -2.153
  743    HH2  TRP  92           HH2      TRP  92  -7.165  14.386  -4.603
  744    H    GLY  93           H        GLY  93  -9.080  21.978   0.505
  745    HA2  GLY  93           HA3      GLY  93  -7.287  23.227   2.376
  746    HA3  GLY  93           HA2      GLY  93  -8.941  23.702   1.986
  747    H    ARG  94           H        ARG  94  -9.818  20.846   2.796
  748    HA   ARG  94           HA       ARG  94 -10.339  21.377   5.629
  749    HB2  ARG  94           HB3      ARG  94 -11.002  19.055   3.771
  750    HB3  ARG  94           HB2      ARG  94 -11.576  19.177   5.427
  751    HG2  ARG  94           HG3      ARG  94 -12.170  21.275   3.289
  752    HG3  ARG  94           HG2      ARG  94 -13.215  19.909   3.633
  753    HD2  ARG  94           HD3      ARG  94 -12.449  21.966   5.739
  754    HD3  ARG  94           HD2      ARG  94 -13.888  22.069   4.714
  755    HE   ARG  94           HE       ARG  94 -13.796  19.499   5.966
  756   HH11  ARG  94          HH11      ARG  94 -15.296  18.982   7.545
  757   HH12  ARG  94          HH12      ARG  94 -16.100  20.241   8.439
  758   HH21  ARG  94          HH21      ARG  94 -14.556  22.858   6.755
  759   HH22  ARG  94          HH22      ARG  94 -15.696  22.408   7.997
  760    H    ILE  95           H        ILE  95  -8.038  19.496   3.820
  761    HA   ILE  95           HA       ILE  95  -7.186  17.723   5.933
  762    HB   ILE  95           HB       ILE  95  -5.672  18.589   3.439
  763   HG12  ILE  95          HG13      ILE  95  -7.621  16.246   3.684
  764   HG13  ILE  95          HG12      ILE  95  -7.980  17.756   2.847
  765   HG21  ILE  95          HG21      ILE  95  -4.325  17.323   5.118
  766   HG22  ILE  95          HG22      ILE  95  -4.537  16.407   3.646
  767   HG23  ILE  95          HG23      ILE  95  -5.518  16.012   5.073
  768   HD11  ILE  95          HD11      ILE  95  -5.889  15.742   2.004
  769   HD12  ILE  95          HD12      ILE  95  -6.079  17.361   1.296
  770   HD13  ILE  95          HD13      ILE  95  -7.400  16.178   1.193
  771    H    VAL  96           H        VAL  96  -6.437  21.036   5.018
  772    HA   VAL  96           HA       VAL  96  -3.908  21.393   6.201
  773    HB   VAL  96           HB       VAL  96  -6.160  23.411   5.873
  774   HG11  VAL  96          HG11      VAL  96  -4.329  25.091   5.748
  775   HG12  VAL  96          HG12      VAL  96  -3.163  23.839   6.231
  776   HG13  VAL  96          HG13      VAL  96  -4.457  24.356   7.342
  777   HG21  VAL  96          HG21      VAL  96  -5.032  24.015   3.766
  778   HG22  VAL  96          HG22      VAL  96  -5.533  22.327   3.718
  779   HG23  VAL  96          HG23      VAL  96  -3.831  22.725   4.020
  780    H    THR  97           H        THR  97  -7.119  21.309   7.766
  781    HA   THR  97           HA       THR  97  -6.200  22.428  10.255
  782    HB   THR  97           HB       THR  97  -8.616  20.644   9.819
  783    HG1  THR  97           HG1      THR  97  -9.708  22.515   9.421
  784   HG21  THR  97          HG21      THR  97  -8.244  20.935  12.172
  785   HG22  THR  97          HG22      THR  97  -9.468  22.137  11.764
  786   HG23  THR  97          HG23      THR  97  -7.789  22.642  11.974
  787    H    LEU  98           H        LEU  98  -6.075  19.128   8.941
  788    HA   LEU  98           HA       LEU  98  -5.241  18.014  11.508
  789    HB2  LEU  98           HB3      LEU  98  -6.442  16.725   9.600
  790    HB3  LEU  98           HB2      LEU  98  -4.895  16.754   8.775
  791    HG   LEU  98           HG       LEU  98  -3.854  15.605  10.765
  792   HD11  LEU  98          HD11      LEU  98  -5.564  16.204  12.525
  793   HD12  LEU  98          HD12      LEU  98  -5.229  14.481  12.409
  794   HD13  LEU  98          HD13      LEU  98  -6.715  15.131  11.703
  795   HD21  LEU  98          HD21      LEU  98  -4.642  14.401   8.759
  796   HD22  LEU  98          HD22      LEU  98  -6.206  14.113   9.544
  797   HD23  LEU  98          HD23      LEU  98  -4.719  13.405  10.222
  798    H    ILE  99           H        ILE  99  -3.681  19.328   8.607
  799    HA   ILE  99           HA       ILE  99  -1.000  18.487   9.228
  800    HB   ILE  99           HB       ILE  99  -2.155  20.624   7.408
  801   HG12  ILE  99          HG13      ILE  99  -0.879  17.924   6.773
  802   HG13  ILE  99          HG12      ILE  99  -2.609  18.167   6.912
  803   HG21  ILE  99          HG21      ILE  99   0.097  20.735   6.328
  804   HG22  ILE  99          HG22      ILE  99   0.749  19.734   7.645
  805   HG23  ILE  99          HG23      ILE  99   0.086  21.357   7.962
  806   HD11  ILE  99          HD11      ILE  99  -2.519  19.842   5.045
  807   HD12  ILE  99          HD12      ILE  99  -2.075  18.190   4.586
  808   HD13  ILE  99          HD13      ILE  99  -0.810  19.404   4.798
  809    H    SER 100           H        SER 100  -2.869  21.430   9.986
  810    HA   SER 100           HA       SER 100  -0.665  22.657  11.469
  811    HB2  SER 100           HB3      SER 100  -2.291  24.433  11.960
  812    HB3  SER 100           HB2      SER 100  -2.119  24.104  10.230
  813    HG   SER 100           HG       SER 100  -4.049  23.045  10.233
  814    H    PHE 101           H        PHE 101  -3.345  20.530  12.302
  815    HA   PHE 101           HA       PHE 101  -3.084  20.832  15.177
  816    HB2  PHE 101           HB3      PHE 101  -5.051  19.742  14.373
  817    HB3  PHE 101           HB2      PHE 101  -4.128  18.652  13.359
  818    HD1  PHE 101           HD1      PHE 101  -3.771  16.476  14.078
  819    HD2  PHE 101           HD2      PHE 101  -4.458  19.554  17.006
  820    HE1  PHE 101           HE1      PHE 101  -3.595  14.790  15.898
  821    HE2  PHE 101           HE2      PHE 101  -4.338  17.866  18.823
  822    HZ   PHE 101           HZ       PHE 101  -3.895  15.481  18.271
  823    H    GLY 102           H        GLY 102  -1.619  18.606  12.740
  824    HA2  GLY 102           HA3      GLY 102   0.104  17.200  14.485
  825    HA3  GLY 102           HA2      GLY 102   0.336  17.433  12.745
  826    H    ALA 103           H        ALA 103   0.593  20.338  12.787
  827    HA   ALA 103           HA       ALA 103   3.363  20.563  13.488
  828    HB1  ALA 103           HB1      ALA 103   3.184  22.755  12.533
  829    HB2  ALA 103           HB2      ALA 103   1.414  22.772  12.726
  830    HB3  ALA 103           HB3      ALA 103   2.195  21.674  11.562
  831    H    PHE 104           H        PHE 104   0.415  21.404  15.225
  832    HA   PHE 104           HA       PHE 104   1.814  22.932  17.297
  833    HB2  PHE 104           HB3      PHE 104  -0.466  23.484  16.524
  834    HB3  PHE 104           HB2      PHE 104  -1.042  21.919  17.083
  835    HD1  PHE 104           HD1      PHE 104  -2.108  21.891  19.173
  836    HD2  PHE 104           HD2      PHE 104   0.900  24.883  18.405
  837    HE1  PHE 104           HE1      PHE 104  -2.580  22.928  21.372
  838    HE2  PHE 104           HE2      PHE 104   0.444  25.905  20.621
  839    HZ   PHE 104           HZ       PHE 104  -1.299  24.940  22.100
  840    H    VAL 105           H        VAL 105   0.709  19.593  16.806
  841    HA   VAL 105           HA       VAL 105   1.333  18.648  19.484
  842    HB   VAL 105           HB       VAL 105   0.955  17.265  16.806
  843   HG11  VAL 105          HG11      VAL 105   0.792  15.142  18.101
  844   HG12  VAL 105          HG12      VAL 105   1.336  16.012  19.557
  845   HG13  VAL 105          HG13      VAL 105   2.416  15.820  18.166
  846   HG21  VAL 105          HG21      VAL 105  -1.094  18.287  17.861
  847   HG22  VAL 105          HG22      VAL 105  -0.813  17.284  19.278
  848   HG23  VAL 105          HG23      VAL 105  -1.164  16.525  17.716
  849    H    ALA 106           H        ALA 106   3.152  18.938  16.409
  850    HA   ALA 106           HA       ALA 106   5.568  17.706  17.289
  851    HB1  ALA 106           HB1      ALA 106   5.039  19.844  15.181
  852    HB2  ALA 106           HB2      ALA 106   5.011  18.086  14.933
  853    HB3  ALA 106           HB3      ALA 106   6.531  18.903  15.334
  854    H    LYS 107           H        LYS 107   4.280  20.978  17.720
  855    HA   LYS 107           HA       LYS 107   6.706  22.172  18.742
  856    HB2  LYS 107           HB3      LYS 107   4.776  23.338  17.630
  857    HB3  LYS 107           HB2      LYS 107   3.808  23.042  19.079
  858    HG2  LYS 107           HG3      LYS 107   5.424  24.387  20.415
  859    HG3  LYS 107           HG2      LYS 107   6.395  24.650  18.950
  860    HD2  LYS 107           HD3      LYS 107   4.390  25.728  17.873
  861    HD3  LYS 107           HD2      LYS 107   3.505  25.536  19.400
  862    HE2  LYS 107           HE3      LYS 107   5.197  26.925  20.557
  863    HE3  LYS 107           HE2      LYS 107   6.102  27.093  19.042
  864    HZ1  LYS 107           HZ1      LYS 107   3.346  28.058  19.494
  865    HZ2  LYS 107           HZ2      LYS 107   4.184  28.208  18.093
  866    HZ3  LYS 107           HZ3      LYS 107   4.686  28.999  19.438
  867    H    HIS 108           H        HIS 108   3.972  20.445  20.243
  868    HA   HIS 108           HA       HIS 108   4.862  20.881  22.979
  869    HB2  HIS 108           HB3      HIS 108   2.511  20.438  22.311
  870    HB3  HIS 108           HB2      HIS 108   2.964  18.798  21.838
  871    HD2  HIS 108           HD2      HIS 108   2.060  17.191  23.666
  872    HE1  HIS 108           HE1      HIS 108   2.903  19.464  27.160
  873    HE2  HIS 108           HE2      HIS 108   1.929  17.283  26.289
  874    H    LEU 109           H        LEU 109   5.553  18.474  20.468
  875    HA   LEU 109           HA       LEU 109   7.071  16.723  22.228
  876    HB2  LEU 109           HB3      LEU 109   6.769  16.982  19.223
  877    HB3  LEU 109           HB2      LEU 109   7.871  15.820  19.949
  878    HG   LEU 109           HG       LEU 109   4.897  15.887  20.638
  879   HD11  LEU 109          HD11      LEU 109   5.128  15.478  18.236
  880   HD12  LEU 109          HD12      LEU 109   4.651  13.993  19.068
  881   HD13  LEU 109          HD13      LEU 109   6.335  14.212  18.541
  882   HD21  LEU 109          HD21      LEU 109   6.268  14.700  22.285
  883   HD22  LEU 109          HD22      LEU 109   7.076  13.785  21.003
  884   HD23  LEU 109          HD23      LEU 109   5.354  13.525  21.336
  885    H    LYS 110           H        LYS 110   7.850  19.643  20.363
  886    HA   LYS 110           HA       LYS 110  10.703  19.388  21.043
  887    HB2  LYS 110           HB3      LYS 110   9.069  21.374  19.458
  888    HB3  LYS 110           HB2      LYS 110  10.650  21.845  20.059
  889    HG2  LYS 110           HG3      LYS 110  10.122  19.465  18.248
  890    HG3  LYS 110           HG2      LYS 110  10.799  21.030  17.774
  891    HD2  LYS 110           HD3      LYS 110  12.678  20.587  19.483
  892    HD3  LYS 110           HD2      LYS 110  12.101  18.915  19.528
  893    HE2  LYS 110           HE3      LYS 110  13.138  20.413  17.102
  894    HE3  LYS 110           HE2      LYS 110  13.965  19.133  17.996
  895    HZ1  LYS 110           HZ1      LYS 110  11.455  18.817  16.478
  896    HZ2  LYS 110           HZ2      LYS 110  12.185  17.630  17.347
  897    HZ3  LYS 110           HZ3      LYS 110  12.939  18.271  16.026
  898    H    THR 111           H        THR 111   8.000  20.427  22.784
  899    HA   THR 111           HA       THR 111   9.441  22.252  24.559
  900    HB   THR 111           HB       THR 111   6.917  20.618  25.019
  901    HG1  THR 111           HG1      THR 111   6.894  22.240  23.332
  902   HG21  THR 111          HG21      THR 111   7.806  21.299  27.179
  903   HG22  THR 111          HG22      THR 111   6.430  22.327  26.771
  904   HG23  THR 111          HG23      THR 111   8.085  22.954  26.586
  905    H    ILE 112           H        ILE 112   9.173  18.767  24.176
  906    HA   ILE 112           HA       ILE 112  11.071  18.354  26.433
  907    HB   ILE 112           HB       ILE 112  10.355  16.031  26.472
  908   HG12  ILE 112          HG13      ILE 112   8.193  16.808  24.459
  909   HG13  ILE 112          HG12      ILE 112   9.646  15.886  24.059
  910   HG21  ILE 112          HG21      ILE 112   9.289  17.795  27.901
  911   HG22  ILE 112          HG22      ILE 112   8.253  16.397  27.608
  912   HG23  ILE 112          HG23      ILE 112   7.966  17.907  26.720
  913   HD11  ILE 112          HD11      ILE 112   7.809  14.366  24.357
  914   HD12  ILE 112          HD12      ILE 112   7.460  15.016  25.968
  915   HD13  ILE 112          HD13      ILE 112   8.969  14.127  25.683
  916    H    ASN 113           H        ASN 113  11.413  19.111  23.431
  917    HA   ASN 113           HA       ASN 113  12.885  18.848  21.790
  918    HB2  ASN 113           HB3      ASN 113  14.671  17.976  24.074
  919    HB3  ASN 113           HB2      ASN 113  15.220  18.549  22.500
  920   HD21  ASN 113          HD21      ASN 113  13.904  19.527  25.599
  921   HD22  ASN 113          HD22      ASN 113  13.968  21.251  25.292
  922    H    GLN 114           H        GLN 114  11.183  16.525  21.997
  923    HA   GLN 114           HA       GLN 114  12.823  14.295  20.971
  924    HB2  GLN 114           HB3      GLN 114   9.832  14.669  21.372
  925    HB3  GLN 114           HB2      GLN 114  10.553  13.253  20.591
  926    HG2  GLN 114           HG3      GLN 114  11.890  12.781  22.618
  927    HG3  GLN 114           HG2      GLN 114  11.171  14.168  23.433
  928   HE21  GLN 114          HE21      GLN 114  10.864  11.986  24.847
  929   HE22  GLN 114          HE22      GLN 114   9.246  11.322  24.689
  930    H    GLU 115           H        GLU 115  12.617  13.459  18.879
  931    HA   GLU 115           HA       GLU 115  11.354  15.116  16.772
  932    HB2  GLU 115           HB3      GLU 115  13.701  15.929  17.168
  933    HB3  GLU 115           HB2      GLU 115  14.303  14.338  16.694
  934    HG2  GLU 115           HG3      GLU 115  13.480  14.611  14.442
  935    HG3  GLU 115           HG2      GLU 115  12.480  15.996  14.908
  936    H    SER 116           H        SER 116  12.728  12.026  17.800
  937    HA   SER 116           HA       SER 116  11.926  10.556  15.413
  938    HB2  SER 116           HB3      SER 116  12.642   9.636  18.223
  939    HB3  SER 116           HB2      SER 116  12.360   8.565  16.838
  940    HG   SER 116           HG       SER 116  14.330  10.614  16.954
  941    H    SER 117           H        SER 117  10.130  12.018  17.855
  942    HA   SER 117           HA       SER 117   7.791  10.211  17.596
  943    HB2  SER 117           HB3      SER 117   8.182  12.752  19.213
  944    HB3  SER 117           HB2      SER 117   6.798  11.643  19.313
  945    HG   SER 117           HG       SER 117   8.483  11.371  20.938
  946    H    ILE 118           H        ILE 118   9.137  12.911  15.993
  947    HA   ILE 118           HA       ILE 118   6.517  13.952  15.070
  948    HB   ILE 118           HB       ILE 118   9.289  15.144  14.767
  949   HG12  ILE 118          HG13      ILE 118   7.072  15.932  16.710
  950   HG13  ILE 118          HG12      ILE 118   8.521  15.040  17.167
  951   HG21  ILE 118          HG21      ILE 118   7.744  15.912  13.007
  952   HG22  ILE 118          HG22      ILE 118   7.990  17.214  14.149
  953   HG23  ILE 118          HG23      ILE 118   6.498  16.261  14.223
  954   HD11  ILE 118          HD11      ILE 118   8.437  17.910  16.202
  955   HD12  ILE 118          HD12      ILE 118   9.926  16.956  16.380
  956   HD13  ILE 118          HD13      ILE 118   8.896  17.286  17.788
  957    H    GLU 119           H        GLU 119   9.331  12.127  13.971
  958    HA   GLU 119           HA       GLU 119   8.773  12.142  11.162
  959    HB2  GLU 119           HB3      GLU 119  10.124  10.119  12.985
  960    HB3  GLU 119           HB2      GLU 119   9.961   9.885  11.246
  961    HG2  GLU 119           HG3      GLU 119  11.381  12.235  12.570
  962    HG3  GLU 119           HG2      GLU 119  12.168  10.796  11.930
  963    HA   PRO 120           HA       PRO 120   5.771   8.507  11.812
  964    HB2  PRO 120           HB3      PRO 120   4.851   7.746  14.261
  965    HB3  PRO 120           HB2      PRO 120   6.383   7.137  13.561
  966    HG2  PRO 120           HG3      PRO 120   6.022   9.446  15.505
  967    HG3  PRO 120           HG2      PRO 120   7.137   8.047  15.651
  968    HD2  PRO 120           HD3      PRO 120   8.001  10.390  14.659
  969    HD3  PRO 120           HD2      PRO 120   8.532   8.850  13.930
  970    H    LEU 121           H        LEU 121   5.513  11.530  13.539
  971    HA   LEU 121           HA       LEU 121   2.605  11.591  13.640
  972    HB2  LEU 121           HB3      LEU 121   4.129  12.887  15.162
  973    HB3  LEU 121           HB2      LEU 121   4.640  13.840  13.773
  974    HG   LEU 121           HG       LEU 121   2.334  14.711  13.508
  975   HD11  LEU 121          HD11      LEU 121   1.001  12.884  14.499
  976   HD12  LEU 121          HD12      LEU 121   0.689  14.413  15.325
  977   HD13  LEU 121          HD13      LEU 121   1.739  13.203  16.088
  978   HD21  LEU 121          HD21      LEU 121   4.006  15.921  14.816
  979   HD22  LEU 121          HD22      LEU 121   3.592  14.987  16.269
  980   HD23  LEU 121          HD23      LEU 121   2.411  16.103  15.557
  981    H    ALA 122           H        ALA 122   5.109  12.662  11.353
  982    HA   ALA 122           HA       ALA 122   3.299  13.917   9.499
  983    HB1  ALA 122           HB1      ALA 122   5.768  14.325   9.653
  984    HB2  ALA 122           HB2      ALA 122   5.212  13.916   8.021
  985    HB3  ALA 122           HB3      ALA 122   6.047  12.695   9.009
  986    H    GLU 123           H        GLU 123   4.424  10.558   9.977
  987    HA   GLU 123           HA       GLU 123   3.159   9.528   7.562
  988    HB2  GLU 123           HB3      GLU 123   4.263   8.159  10.043
  989    HB3  GLU 123           HB2      GLU 123   3.659   7.317   8.613
  990    HG2  GLU 123           HG3      GLU 123   5.375   8.381   7.208
  991    HG3  GLU 123           HG2      GLU 123   5.994   9.278   8.597
  992    H    SER 124           H        SER 124   2.193   9.818  11.000
  993    HA   SER 124           HA       SER 124  -0.179   8.254  10.887
  994    HB2  SER 124           HB3      SER 124   0.958   9.050  12.961
  995    HB3  SER 124           HB2      SER 124   0.435  10.705  12.592
  996    HG   SER 124           HG       SER 124  -1.159   8.427  13.158
  997    H    ILE 125           H        ILE 125   0.533  11.465   9.707
  998    HA   ILE 125           HA       ILE 125  -2.276  12.041   8.991
  999    HB   ILE 125           HB       ILE 125   0.304  13.595   8.591
 1000   HG12  ILE 125          HG13      ILE 125  -2.094  14.145  10.398
 1001   HG13  ILE 125          HG12      ILE 125  -0.598  13.417  10.955
 1002   HG21  ILE 125          HG21      ILE 125  -1.163  15.455   7.809
 1003   HG22  ILE 125          HG22      ILE 125  -2.566  14.376   7.897
 1004   HG23  ILE 125          HG23      ILE 125  -1.265  14.069   6.735
 1005   HD11  ILE 125          HD11      ILE 125  -0.559  15.731  11.534
 1006   HD12  ILE 125          HD12      ILE 125  -0.881  16.237   9.871
 1007   HD13  ILE 125          HD13      ILE 125   0.666  15.452  10.279
 1008    H    THR 126           H        THR 126   0.881  11.663   7.236
 1009    HA   THR 126           HA       THR 126  -0.584  11.864   4.764
 1010    HB   THR 126           HB       THR 126   2.378  11.322   4.891
 1011    HG1  THR 126           HG1      THR 126   2.129  12.931   6.353
 1012   HG21  THR 126          HG21      THR 126   2.350  12.932   2.991
 1013   HG22  THR 126          HG22      THR 126   0.585  13.034   3.108
 1014   HG23  THR 126          HG23      THR 126   1.369  11.505   2.654
 1015    H    ASP 127           H        ASP 127   1.179   9.138   6.312
 1016    HA   ASP 127           HA       ASP 127   1.032   7.425   3.990
 1017    HB2  ASP 127           HB3      ASP 127   2.595   7.147   5.996
 1018    HB3  ASP 127           HB2      ASP 127   1.202   6.535   6.883
 1019    H    VAL 128           H        VAL 128  -1.157   8.296   6.570
 1020    HA   VAL 128           HA       VAL 128  -3.151   6.230   5.982
 1021    HB   VAL 128           HB       VAL 128  -3.309   8.643   7.832
 1022   HG11  VAL 128          HG11      VAL 128  -4.920   6.066   7.616
 1023   HG12  VAL 128          HG12      VAL 128  -5.522   7.722   7.372
 1024   HG13  VAL 128          HG13      VAL 128  -5.029   7.189   8.983
 1025   HG21  VAL 128          HG21      VAL 128  -2.494   5.775   8.485
 1026   HG22  VAL 128          HG22      VAL 128  -2.765   7.085   9.658
 1027   HG23  VAL 128          HG23      VAL 128  -1.422   7.193   8.533
 1028    H    LEU 129           H        LEU 129  -2.522   9.612   5.102
 1029    HA   LEU 129           HA       LEU 129  -5.093  10.117   3.911
 1030    HB2  LEU 129           HB3      LEU 129  -3.476  11.891   4.614
 1031    HB3  LEU 129           HB2      LEU 129  -2.379  11.359   3.338
 1032    HG   LEU 129           HG       LEU 129  -4.195  11.934   1.658
 1033   HD11  LEU 129          HD11      LEU 129  -5.459  13.358   4.034
 1034   HD12  LEU 129          HD12      LEU 129  -6.148  11.928   3.236
 1035   HD13  LEU 129          HD13      LEU 129  -5.987  13.447   2.347
 1036   HD21  LEU 129          HD21      LEU 129  -2.289  13.407   2.122
 1037   HD22  LEU 129          HD22      LEU 129  -3.187  14.185   3.443
 1038   HD23  LEU 129          HD23      LEU 129  -3.744  14.347   1.760
 1039    H    VAL 130           H        VAL 130  -1.991   8.817   2.655
 1040    HA   VAL 130           HA       VAL 130  -3.178   8.324   0.023
 1041    HB   VAL 130           HB       VAL 130  -0.816   9.137   0.465
 1042   HG11  VAL 130          HG11      VAL 130  -0.178   7.483   2.171
 1043   HG12  VAL 130          HG12      VAL 130   0.924   7.449   0.787
 1044   HG13  VAL 130          HG13      VAL 130  -0.297   6.182   0.982
 1045   HG21  VAL 130          HG21      VAL 130  -1.125   6.776  -1.421
 1046   HG22  VAL 130          HG22      VAL 130   0.089   8.063  -1.497
 1047   HG23  VAL 130          HG23      VAL 130  -1.620   8.449  -1.750
 1048    H    ARG 131           H        ARG 131  -3.610   6.758   2.866
 1049    HA   ARG 131           HA       ARG 131  -3.918   4.047   1.702
 1050    HB2  ARG 131           HB3      ARG 131  -3.242   4.473   4.113
 1051    HB3  ARG 131           HB2      ARG 131  -4.861   5.119   4.389
 1052    HG2  ARG 131           HG3      ARG 131  -5.837   2.929   3.717
 1053    HG3  ARG 131           HG2      ARG 131  -4.196   2.289   3.485
 1054    HD2  ARG 131           HD3      ARG 131  -3.672   2.752   5.858
 1055    HD3  ARG 131           HD2      ARG 131  -5.285   3.425   6.106
 1056    HE   ARG 131           HE       ARG 131  -4.522   0.611   5.962
 1057   HH11  ARG 131          HH11      ARG 131  -7.283   2.798   5.630
 1058   HH12  ARG 131          HH12      ARG 131  -8.440   1.531   5.941
 1059   HH21  ARG 131          HH21      ARG 131  -6.054  -0.961   6.364
 1060   HH22  ARG 131          HH22      ARG 131  -7.752  -0.560   6.360
 1061    H    THR 132           H        THR 132  -5.835   6.882   2.602
 1062    HA   THR 132           HA       THR 132  -8.349   5.684   1.613
 1063    HB   THR 132           HB       THR 132  -9.370   7.780   2.488
 1064    HG1  THR 132           HG1      THR 132  -6.894   8.239   3.752
 1065   HG21  THR 132          HG21      THR 132  -7.676   6.254   4.517
 1066   HG22  THR 132          HG22      THR 132  -9.264   5.756   3.895
 1067   HG23  THR 132          HG23      THR 132  -9.118   7.233   4.861
 1068    H    LYS 133           H        LYS 133  -5.888   7.836   0.470
 1069    HA   LYS 133           HA       LYS 133  -7.383   8.193  -2.087
 1070    HB2  LYS 133           HB3      LYS 133  -5.367  10.131  -0.869
 1071    HB3  LYS 133           HB2      LYS 133  -6.044  10.220  -2.478
 1072    HG2  LYS 133           HG3      LYS 133  -7.411  11.691  -1.535
 1073    HG3  LYS 133           HG2      LYS 133  -8.384  10.252  -1.210
 1074    HD2  LYS 133           HD3      LYS 133  -7.501  10.147   1.083
 1075    HD3  LYS 133           HD2      LYS 133  -6.375  11.467   0.747
 1076    HE2  LYS 133           HE3      LYS 133  -9.405  11.678   0.716
 1077    HE3  LYS 133           HE2      LYS 133  -8.360  12.172   2.056
 1078    HZ1  LYS 133           HZ1      LYS 133  -8.302  13.327  -0.662
 1079    HZ2  LYS 133           HZ2      LYS 133  -7.315  13.775   0.573
 1080    HZ3  LYS 133           HZ3      LYS 133  -8.932  14.047   0.657
 1081    H    ARG 134           H        ARG 134  -6.191   5.880  -1.702
 1082    HA   ARG 134           HA       ARG 134  -3.416   5.726  -2.378
 1083    HB2  ARG 134           HB3      ARG 134  -3.756   3.362  -2.452
 1084    HB3  ARG 134           HB2      ARG 134  -4.703   4.028  -1.124
 1085    HG2  ARG 134           HG3      ARG 134  -6.703   4.017  -2.824
 1086    HG3  ARG 134           HG2      ARG 134  -5.679   2.941  -3.781
 1087    HD2  ARG 134           HD3      ARG 134  -6.682   2.503  -0.941
 1088    HD3  ARG 134           HD2      ARG 134  -7.221   1.665  -2.389
 1089    HE   ARG 134           HE       ARG 134  -5.074   0.556  -2.563
 1090   HH11  ARG 134          HH11      ARG 134  -5.558   2.157   0.562
 1091   HH12  ARG 134          HH12      ARG 134  -4.424   1.102   1.370
 1092   HH21  ARG 134          HH21      ARG 134  -3.630  -0.739  -1.463
 1093   HH22  ARG 134          HH22      ARG 134  -3.350  -0.501   0.242
 1094    H    ASP 135           H        ASP 135  -6.128   6.283  -4.415
 1095    HA   ASP 135           HA       ASP 135  -4.243   6.367  -6.726
 1096    HB2  ASP 135           HB3      ASP 135  -7.132   5.417  -6.718
 1097    HB3  ASP 135           HB2      ASP 135  -6.264   5.879  -8.180
 1098    H    TRP 136           H        TRP 136  -6.488   8.125  -4.728
 1099    HA   TRP 136           HA       TRP 136  -7.292   9.948  -6.839
 1100    HB2  TRP 136           HB3      TRP 136  -8.745   9.167  -4.968
 1101    HB3  TRP 136           HB2      TRP 136  -7.812  10.170  -3.872
 1102    HD1  TRP 136           HD1      TRP 136  -8.867  12.454  -3.464
 1103    HE1  TRP 136           HE1      TRP 136 -10.553  13.981  -4.639
 1104    HE3  TRP 136           HE3      TRP 136  -9.513   9.770  -7.784
 1105    HZ2  TRP 136           HZ2      TRP 136 -12.005  14.034  -7.140
 1106    HZ3  TRP 136           HZ3      TRP 136 -11.065  10.585  -9.539
 1107    HH2  TRP 136           HH2      TRP 136 -12.305  12.715  -9.233
 1108    H    LEU 137           H        LEU 137  -4.792  10.083  -4.298
 1109    HA   LEU 137           HA       LEU 137  -4.035  12.841  -4.960
 1110    HB2  LEU 137           HB3      LEU 137  -2.678  10.553  -3.487
 1111    HB3  LEU 137           HB2      LEU 137  -1.839  12.059  -3.837
 1112    HG   LEU 137           HG       LEU 137  -4.416  11.932  -2.223
 1113   HD11  LEU 137          HD11      LEU 137  -2.925  12.294  -0.264
 1114   HD12  LEU 137          HD12      LEU 137  -1.509  12.088  -1.315
 1115   HD13  LEU 137          HD13      LEU 137  -2.633  10.735  -1.051
 1116   HD21  LEU 137          HD21      LEU 137  -4.067  14.145  -3.212
 1117   HD22  LEU 137          HD22      LEU 137  -2.386  14.169  -2.639
 1118   HD23  LEU 137          HD23      LEU 137  -3.732  14.206  -1.481
 1119    H    VAL 138           H        VAL 138  -3.306   9.597  -6.164
 1120    HA   VAL 138           HA       VAL 138  -1.034  10.352  -7.768
 1121    HB   VAL 138           HB       VAL 138  -2.812   7.895  -7.989
 1122   HG11  VAL 138          HG11      VAL 138  -0.774   6.831  -8.939
 1123   HG12  VAL 138          HG12      VAL 138   0.054   8.403  -8.899
 1124   HG13  VAL 138          HG13      VAL 138  -1.357   8.151  -9.952
 1125   HG21  VAL 138          HG21      VAL 138  -1.091   6.771  -6.585
 1126   HG22  VAL 138          HG22      VAL 138  -1.924   8.042  -5.695
 1127   HG23  VAL 138          HG23      VAL 138  -0.289   8.336  -6.329
 1128    H    LYS 139           H        LYS 139  -4.522  10.104  -8.407
 1129    HA   LYS 139           HA       LYS 139  -4.267  10.594 -11.266
 1130    HB2  LYS 139           HB3      LYS 139  -6.019   9.160 -10.325
 1131    HB3  LYS 139           HB2      LYS 139  -6.678  10.523  -9.407
 1132    HG2  LYS 139           HG3      LYS 139  -7.191  11.702 -11.533
 1133    HG3  LYS 139           HG2      LYS 139  -6.520  10.340 -12.452
 1134    HD2  LYS 139           HD3      LYS 139  -8.229   8.838 -11.509
 1135    HD3  LYS 139           HD2      LYS 139  -8.880  10.151 -10.519
 1136    HE2  LYS 139           HE3      LYS 139  -8.778  10.151 -13.567
 1137    HE3  LYS 139           HE2      LYS 139 -10.188   9.674 -12.611
 1138    HZ1  LYS 139           HZ1      LYS 139  -8.937  12.350 -12.558
 1139    HZ2  LYS 139           HZ2      LYS 139 -10.234  11.899 -11.674
 1140    HZ3  LYS 139           HZ3      LYS 139 -10.344  11.968 -13.309
 1141    H    GLN 140           H        GLN 140  -5.508  12.526  -8.483
 1142    HA   GLN 140           HA       GLN 140  -6.078  14.798 -10.196
 1143    HB2  GLN 140           HB3      GLN 140  -6.075  14.586  -7.164
 1144    HB3  GLN 140           HB2      GLN 140  -6.787  15.883  -8.114
 1145    HG2  GLN 140           HG3      GLN 140  -7.737  12.981  -8.177
 1146    HG3  GLN 140           HG2      GLN 140  -8.460  14.288  -7.249
 1147   HE21  GLN 140          HE21      GLN 140 -10.055  15.828 -10.064
 1148   HE22  GLN 140          HE22      GLN 140  -9.469  16.104  -8.436
 1149    H    ARG 141           H        ARG 141  -3.226  13.789  -8.547
 1150    HA   ARG 141           HA       ARG 141  -1.354  14.758  -7.737
 1151    HB2  ARG 141           HB3      ARG 141  -1.796  16.607 -10.109
 1152    HB3  ARG 141           HB2      ARG 141  -0.403  16.707  -9.040
 1153    HG2  ARG 141           HG3      ARG 141   0.294  15.469 -10.906
 1154    HG3  ARG 141           HG2      ARG 141   0.181  14.342  -9.554
 1155    HD2  ARG 141           HD3      ARG 141  -1.933  13.450 -10.451
 1156    HD3  ARG 141           HD2      ARG 141  -1.911  14.661 -11.751
 1157    HE   ARG 141           HE       ARG 141   0.521  13.156 -11.769
 1158   HH11  ARG 141          HH11      ARG 141  -2.890  12.688 -12.589
 1159   HH12  ARG 141          HH12      ARG 141  -2.526  11.452 -13.767
 1160   HH21  ARG 141          HH21      ARG 141   0.910  11.545 -13.263
 1161   HH22  ARG 141          HH22      ARG 141  -0.411  10.805 -14.128
 1162    H    GLY 142           H        GLY 142  -3.099  15.064  -6.030
 1163    HA2  GLY 142           HA3      GLY 142  -4.390  17.517  -5.614
 1164    HA3  GLY 142           HA2      GLY 142  -4.181  16.237  -4.413
 1165    H    TRP 143           H        TRP 143  -1.079  16.835  -4.879
 1166    HA   TRP 143           HA       TRP 143  -0.804  18.830  -2.760
 1167    HB2  TRP 143           HB3      TRP 143   1.271  17.379  -4.433
 1168    HB3  TRP 143           HB2      TRP 143   1.572  18.322  -2.975
 1169    HD1  TRP 143           HD1      TRP 143   0.981  14.884  -4.067
 1170    HE1  TRP 143           HE1      TRP 143   0.472  13.324  -2.114
 1171    HE3  TRP 143           HE3      TRP 143   0.057  18.392  -0.440
 1172    HZ2  TRP 143           HZ2      TRP 143  -0.294  13.545   0.663
 1173    HZ3  TRP 143           HZ3      TRP 143  -0.535  17.678   1.861
 1174    HH2  TRP 143           HH2      TRP 143  -0.710  15.265   2.421
 1175    H    ASP 144           H        ASP 144  -0.470  18.764  -6.301
 1176    HA   ASP 144           HA       ASP 144   0.408  21.576  -6.439
 1177    HB2  ASP 144           HB3      ASP 144  -0.641  19.661  -8.563
 1178    HB3  ASP 144           HB2      ASP 144  -0.111  21.315  -8.859
 1179    H    GLY 145           H        GLY 145  -2.621  19.669  -6.593
 1180    HA2  GLY 145           HA3      GLY 145  -4.414  21.754  -7.295
 1181    HA3  GLY 145           HA2      GLY 145  -4.810  20.279  -6.402
 1182    H    PHE 146           H        PHE 146  -3.029  20.852  -4.134
 1183    HA   PHE 146           HA       PHE 146  -4.604  22.586  -2.477
 1184    HB2  PHE 146           HB3      PHE 146  -3.426  20.840  -1.414
 1185    HB3  PHE 146           HB2      PHE 146  -1.934  21.183  -2.273
 1186    HD1  PHE 146           HD1      PHE 146  -0.219  22.391  -1.234
 1187    HD2  PHE 146           HD2      PHE 146  -4.260  22.774   0.232
 1188    HE1  PHE 146           HE1      PHE 146   0.580  23.867   0.592
 1189    HE2  PHE 146           HE2      PHE 146  -3.445  24.259   2.049
 1190    HZ   PHE 146           HZ       PHE 146  -1.037  24.821   2.218
 1191    H    VAL 147           H        VAL 147  -1.480  23.054  -4.191
 1192    HA   VAL 147           HA       VAL 147  -1.057  25.751  -3.259
 1193    HB   VAL 147           HB       VAL 147   0.111  24.169  -5.582
 1194   HG11  VAL 147          HG11      VAL 147   0.360  26.548  -6.120
 1195   HG12  VAL 147          HG12      VAL 147   1.908  25.868  -5.645
 1196   HG13  VAL 147          HG13      VAL 147   1.003  26.872  -4.489
 1197   HG21  VAL 147          HG21      VAL 147   2.083  23.983  -4.125
 1198   HG22  VAL 147          HG22      VAL 147   0.672  23.327  -3.297
 1199   HG23  VAL 147          HG23      VAL 147   1.267  24.940  -2.867
 1200    H    GLU 148           H        GLU 148  -2.712  24.374  -6.112
 1201    HA   GLU 148           HA       GLU 148  -3.147  26.923  -7.413
 1202    HB2  GLU 148           HB3      GLU 148  -4.306  24.137  -7.764
 1203    HB3  GLU 148           HB2      GLU 148  -4.788  25.506  -8.770
 1204    HG2  GLU 148           HG3      GLU 148  -2.541  25.821  -9.599
 1205    HG3  GLU 148           HG2      GLU 148  -1.885  24.617  -8.497
 1206    H    PHE 149           H        PHE 149  -4.879  25.212  -4.874
 1207    HA   PHE 149           HA       PHE 149  -7.366  26.683  -5.250
 1208    HB2  PHE 149           HB3      PHE 149  -7.287  24.355  -4.448
 1209    HB3  PHE 149           HB2      PHE 149  -6.419  24.870  -3.006
 1210    HD1  PHE 149           HD1      PHE 149  -7.696  25.253  -1.064
 1211    HD2  PHE 149           HD2      PHE 149  -9.600  25.608  -4.913
 1212    HE1  PHE 149           HE1      PHE 149  -9.870  25.685   0.054
 1213    HE2  PHE 149           HE2      PHE 149 -11.774  26.045  -3.794
 1214    HZ   PHE 149           HZ       PHE 149 -11.912  26.089  -1.311
 1215    H    PHE 150           H        PHE 150  -4.380  27.449  -3.714
 1216    HA   PHE 150           HA       PHE 150  -5.668  29.714  -2.243
 1217    HB2  PHE 150           HB3      PHE 150  -3.379  27.960  -1.303
 1218    HB3  PHE 150           HB2      PHE 150  -3.905  29.443  -0.521
 1219    HD1  PHE 150           HD1      PHE 150  -6.613  29.487  -0.058
 1220    HD2  PHE 150           HD2      PHE 150  -4.089  25.994  -0.248
 1221    HE1  PHE 150           HE1      PHE 150  -8.192  28.260   1.410
 1222    HE2  PHE 150           HE2      PHE 150  -5.675  24.774   1.220
 1223    HZ   PHE 150           HZ       PHE 150  -7.718  25.910   2.066
 1224    H    HIS 151           H        HIS 151  -2.326  28.687  -3.056
 1225    HA   HIS 151           HA       HIS 151  -0.517  29.798  -3.709
 1226    HB2  HIS 151           HB3      HIS 151  -2.073  29.684  -5.798
 1227    HB3  HIS 151           HB2      HIS 151  -2.213  31.421  -5.610
 1228    HD1  HIS 151           HD1      HIS 151   0.515  28.723  -6.162
 1229    HD2  HIS 151           HD2      HIS 151  -0.198  32.857  -6.594
 1230    HE1  HIS 151           HE2      HIS 151   2.527  29.676  -7.450
 1231    HE2  HIS 151           HE1      HIS 151   2.086  32.195  -7.705
 1232    H    VAL 152           H        VAL 152  -1.941  31.061  -1.434
 1233    HA   VAL 152           HA       VAL 152  -1.899  33.906  -1.737
 1234    HB   VAL 152           HB       VAL 152  -2.303  33.950   0.711
 1235   HG11  VAL 152          HG11      VAL 152  -4.163  33.707  -0.902
 1236   HG12  VAL 152          HG12      VAL 152  -4.499  32.916   0.648
 1237   HG13  VAL 152          HG13      VAL 152  -4.051  31.940  -0.762
 1238   HG21  VAL 152          HG21      VAL 152  -2.630  31.907   1.978
 1239   HG22  VAL 152          HG22      VAL 152  -0.972  31.936   1.362
 1240   HG23  VAL 152          HG23      VAL 152  -2.185  30.905   0.583
 1241    H    GLU 153           H        GLU 153   0.642  31.711  -0.873
 1242    HA   GLU 153           HA       GLU 153   2.478  33.999  -0.337
 1243    HB2  GLU 153           HB3      GLU 153   2.047  31.494   1.313
 1244    HB3  GLU 153           HB2      GLU 153   3.546  32.418   1.409
 1245    HG2  GLU 153           HG3      GLU 153   0.767  33.421   2.101
 1246    HG3  GLU 153           HG2      GLU 153   2.056  32.989   3.224
 1247    H    ASP 154           H        ASP 154   1.881  31.383  -2.333
 1248    HA   ASP 154           HA       ASP 154   4.716  30.698  -2.754
 1249    HB2  ASP 154           HB3      ASP 154   3.043  28.913  -2.688
 1250    HB3  ASP 154           HB2      ASP 154   2.220  29.612  -4.083
 1251    H    LEU 155           H        LEU 155   4.022  33.427  -3.200
 1252    HA   LEU 155           HA       LEU 155   3.880  33.948  -6.051
 1253    HB2  LEU 155           HB3      LEU 155   4.696  35.702  -3.694
 1254    HB3  LEU 155           HB2      LEU 155   4.550  36.256  -5.348
 1255    HG   LEU 155           HG       LEU 155   2.634  36.986  -4.246
 1256   HD11  LEU 155          HD11      LEU 155   1.708  34.531  -5.785
 1257   HD12  LEU 155          HD12      LEU 155   2.235  36.064  -6.523
 1258   HD13  LEU 155          HD13      LEU 155   0.797  36.021  -5.485
 1259   HD21  LEU 155          HD21      LEU 155   2.671  35.419  -2.307
 1260   HD22  LEU 155          HD22      LEU 155   1.893  34.186  -3.333
 1261   HD23  LEU 155          HD23      LEU 155   1.062  35.705  -2.987
 1262    H    GLU 156           H        GLU 156   6.465  33.037  -3.907
 1263    HA   GLU 156           HA       GLU 156   8.644  33.825  -5.693
 1264    HB2  GLU 156           HB3      GLU 156   8.540  31.808  -3.414
 1265    HB3  GLU 156           HB2      GLU 156  10.002  32.383  -4.211
 1266    HG2  GLU 156           HG3      GLU 156   8.095  34.068  -2.530
 1267    HG3  GLU 156           HG2      GLU 156   9.695  33.504  -2.064
 1268    H    GLY 157           H        GLY 157   6.310  31.271  -5.666
 1269    HA2  GLY 157           HA3      GLY 157   5.861  29.685  -7.220
 1270    HA3  GLY 157           HA2      GLY 157   7.274  30.198  -8.144
 1271    H    GLY 158           H        GLY 158   8.370  29.367  -5.043
 1272    HA2  GLY 158           HA3      GLY 158   9.516  27.582  -4.192
 1273    HA3  GLY 158           HA2      GLY 158   8.322  26.554  -4.985
 1274    H    HIS 159           H        HIS 159   9.448  24.989  -5.928
 1275    HA   HIS 159           HA       HIS 159  10.913  23.781  -7.093
 1276    HB2  HIS 159           HB3      HIS 159  10.845  24.178  -9.397
 1277    HB3  HIS 159           HB2      HIS 159   9.343  24.766  -8.724
 1278    HD1  HIS 159           HD1      HIS 159   8.924  27.440  -8.901
 1279    HD2  HIS 159           HD2      HIS 159  12.483  25.977 -10.589
 1280    HE1  HIS 159           HE1      HIS 159   9.856  29.311 -10.365
 1281    H    HIS 160           H        HIS 160  12.813  24.283  -9.037
 1282    HA   HIS 160           HA       HIS 160  15.016  24.367  -9.345
 1283    HB2  HIS 160           HB3      HIS 160  14.670  26.761  -9.354
 1284    HB3  HIS 160           HB2      HIS 160  14.894  26.843  -7.608
 1285    HD2  HIS 160           HD2      HIS 160  16.988  28.480  -7.839
 1286    HE1  HIS 160           HE2      HIS 160  19.663  25.711  -9.661
 1287    HE2  HIS 160           HE1      HIS 160  19.467  28.002  -8.560
 1288    H    HIS 161           H        HIS 161  15.453  22.399  -8.482
 1289    HA   HIS 161           HA       HIS 161  15.634  21.792  -5.742
 1290    HB2  HIS 161           HB3      HIS 161  16.496  20.384  -8.261
 1291    HB3  HIS 161           HB2      HIS 161  16.971  19.748  -6.693
 1292    HD1  HIS 161           HD1      HIS 161  15.252  18.245  -5.483
 1293    HD2  HIS 161           HD2      HIS 161  13.611  20.700  -8.483
 1294    HE1  HIS 161           HE1      HIS 161  12.811  17.574  -5.713
 1295    H    HIS 162           H        HIS 162  17.175  21.380  -4.345
 1296    HA   HIS 162           HA       HIS 162  20.037  21.827  -4.897
 1297    HB2  HIS 162           HB3      HIS 162  18.478  23.214  -2.683
 1298    HB3  HIS 162           HB2      HIS 162  20.238  23.174  -2.801
 1299    HD2  HIS 162           HD2      HIS 162  17.277  25.192  -3.846
 1300    HE1  HIS 162           HE1      HIS 162  20.426  26.558  -6.364
 1301    HE2  HIS 162           HE2      HIS 162  18.047  27.013  -5.571
 1302    H    HIS 163           H        HIS 163  21.360  20.755  -3.351
 1303    HA   HIS 163           HA       HIS 163  22.020  18.931  -2.237
 1304    HB2  HIS 163           HB3      HIS 163  21.300  20.141  -0.325
 1305    HB3  HIS 163           HB2      HIS 163  19.636  19.590  -0.497
 1306    HD2  HIS 163           HD2      HIS 163  19.060  17.766   1.213
 1307    HE1  HIS 163           HE1      HIS 163  22.797  15.735   1.445
 1308    HE2  HIS 163           HE2      HIS 163  20.399  15.789   2.307
 1309    H    HIS 164           H        HIS 164  18.683  17.965  -1.572
 1310    HA   HIS 164           HA       HIS 164  18.628  16.049  -3.790
 1311    HB2  HIS 164           HB3      HIS 164  19.774  14.775  -2.018
 1312    HB3  HIS 164           HB2      HIS 164  18.490  15.171  -0.875
 1313    HD1  HIS 164           HD2      HIS 164  18.377  13.618  -4.460
 1314    HD2  HIS 164           HD1      HIS 164  17.027  13.059  -0.505
 1315    HE1  HIS 164           HE2      HIS 164  16.918  11.497  -4.484
 1316    HE2  HIS 164           HE1      HIS 164  16.106  11.162  -2.065
 1317    H6   N8J 201           H6       LIG 165 -12.733  17.485  11.077
 1318    H7   N8J 201           H7       LIG 165  -8.936  18.229   9.304
 1319    H10  N8J 201           H10      LIG 165 -15.292  18.355  13.904
 1320    H11  N8J 201           H11      LIG 165 -14.522  19.978  14.073
 1321    H15  N8J 201           H15      LIG 165 -12.196  19.581  15.596
 1322    H14  N8J 201           H14      LIG 165 -12.156  17.825  16.007
 1323    H17  N8J 201           H17      LIG 165  -6.025  14.536  16.633
 1324    H18  N8J 201           H18      LIG 165  -7.260  15.529  14.763
 1325    H2   N8J 201           H2       LIG 165 -13.557  16.265  14.486
 1326    H4   N8J 201           H4       LIG 165 -13.789  16.701  12.777
 1327    H8   N8J 201           H8       LIG 165  -7.832  17.102  11.200
 1328    H5   N8J 201           H5       LIG 165 -10.269  14.184  13.326
 1329    H3   N8J 201           H3       LIG 165 -11.608  15.298  15.166
 1330    H1   N8J 201           H1       LIG 165 -10.550  16.734  14.952
 1331    H9   N8J 201           H9       LIG 165 -12.493  18.876  13.271
 1332    H12  N8J 201           H12      LIG 165 -14.578  17.715  16.150
 1333    H13  N8J 201           H13      LIG 165 -14.466  19.495  16.457
 1334    H16  N8J 201           H16      LIG 165  -9.362  12.161  17.629
 1335    H21  N8J 201           H21      LIG 165 -13.995  20.186  11.518
 1336    H20  N8J 201           H20      LIG 165 -14.320  21.477  10.400
 1337    H22  N8J 201           H22      LIG 165 -15.552  22.947  11.588
 1338    H23  N8J 201           H23      LIG 165 -15.827  24.458  13.483
 1339    H24  N8J 201           H24      LIG 165 -14.189  24.462  15.307
 1340    H25  N8J 201           H25      LIG 165 -12.257  22.955  15.216
 1341    H26  N8J 201           H26      LIG 165 -11.960  21.455  13.333