*HEADER    SIGNALING PROTEIN                       03-AUG-13   2MBQ              
*TITLE     K11-LINKED DIUBIQUITIN AVERAGE SOLUTION STRUCTURE AT PH 6.8, 150 MM   
*TITLE    2 NACL                                                                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: UBIQUITIN;                                                 
*COMPND   3 CHAIN: A, B;                                                         
*COMPND   4 FRAGMENT: UNP RESIDUES 1-76;                                         
*COMPND   5 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: UBC;                                                           
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3) PJY2;                            
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PET3A                                     
*KEYWDS    DIUBIQUITIN, K11, SIGNALING PROTEIN                                   
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    1                                                                     
*AUTHOR    C.A.CASTANEDA, D.FUSHMAN                                              
*REVDAT   1   04-SEP-13 2MBQ    0                                                


% RDCs used to determine K11 Ub-Ub orientation at 150 mM NaCl, pH 6.8
% in 5% C12E5/hexanol
% residues with * were not used for alignment tensor determination
% chain A is distal Ub, chain B is proximal Ub
%       
  2  A  N    2  A  H   -3.335211  1.00
  3  A  N    3  A  H   14.266265  1.00
  4  A  N    4  A  H   13.518185  1.00
  6  A  N    6  A  H   11.588911  1.00
  7  A  N    7  A  H    7.043740  1.00
*  9  A  N    9  A  H    3.894411  1.00
* 11  A  N   11  A  H   -8.647380  1.00
 12  A  N   12  A  H   10.986338  1.00
 13  A  N   13  A  H    7.425188  1.00
 14  A  N   14  A  H   12.756791  1.00
 15  A  N   15  A  H   15.279895  1.00
 16  A  N   16  A  H    7.878264  1.00
 17  A  N   17  A  H    9.109602  1.00
 18  A  N   18  A  H   -7.814299  1.00
 21  A  N   21  A  H   10.699380  1.00
* 22  A  N   22  A  H   -4.673976  1.00
 23  A  N   23  A  H   12.413973  1.00
 25  A  N   25  A  H    5.187533  1.00
 26  A  N   26  A  H   11.036979  1.00
 27  A  N   27  A  H   11.197778  1.00
 28  A  N   28  A  H    1.362250  1.00
 29  A  N   29  A  H    9.775870  1.00
 30  A  N   30  A  H   11.300544  1.00
* 31  A  N   31  A  H   -3.625512  1.00
 32  A  N   32  A  H    1.798337  1.00
 33  A  N   33  A  H   10.187958  1.00
 34  A  N   34  A  H    8.752849  1.00
 35  A  N   35  A  H  -23.417194  1.00
 36  A  N   36  A  H  -13.307582  1.00
 39  A  N   39  A  H   15.791508  1.00
 40  A  N   40  A  H   -4.450282  1.00
 41  A  N   41  A  H    9.176285  1.00
 42  A  N   42  A  H    7.846138  1.00
 43  A  N   43  A  H   13.767624  1.00
 44  A  N   44  A  H   11.245886  1.00
 45  A  N   45  A  H    6.773529  1.00
 46  A  N   46  A  H    9.612626  1.00
 47  A  N   47  A  H   11.436100  1.00
 48  A  N   48  A  H  -16.964086  1.00
 49  A  N   49  A  H    0.113018  1.00
 50  A  N   50  A  H    8.492043  1.00
 51  A  N   51  A  H   -6.002691  1.00
 52  A  N   52  A  H  -26.483833  1.00
 54  A  N   54  A  H  -13.080924  1.00
 55  A  N   55  A  H    9.305311  1.00
 56  A  N   56  A  H   11.157072  1.00
 57  A  N   57  A  H   12.607419  1.00
 58  A  N   58  A  H   14.855423  1.00
 59  A  N   59  A  H   10.582477  1.00
 60  A  N   60  A  H    8.802612  1.00
 61  A  N   61  A  H   15.577325  1.00
 62  A  N   62  A  H   -2.941232  1.00
 63  A  N   63  A  H  -17.538715  1.00
 64  A  N   64  A  H   16.462839  1.00
 65  A  N   65  A  H    1.481170  1.00
 66  A  N   66  A  H   15.199890  1.00
 67  A  N   67  A  H    9.081177  1.00
 68  A  N   68  A  H   11.805548  1.00
 69  A  N   69  A  H   12.867544  1.00
 70  A  N   70  A  H    5.512799  1.00
* 71  A  N   71  A  H    7.205017  1.00
* 72  A  N   72  A  H   11.745722  1.00
* 73  A  N   73  A  H   12.958590  1.00
* 74  A  N   74  A  H    4.080435  1.00
* 75  A  N   75  A  H    0.586205  1.00
* 76  A  N   76  A  H    2.723440  1.00
%       
  2  B  N    2  B  H    3.104010  1.00
  3  B  N    3  B  H    7.429088  1.00
  4  B  N    4  B  H    0.267722  1.00
  5  B  N    5  B  H   -2.360062  1.00
  6  B  N    6  B  H  -12.318416  1.00
  7  B  N    7  B  H   -3.640089  1.00
  9  B  N    9  B  H   12.979549  1.00
 10  B  N   10  B  H   -7.632728  1.00
 11  B  N   11  B  H   -0.900436  1.00
 12  B  N   12  B  H   -5.897269  1.00
 13  B  N   13  B  H   -2.383971  1.00
 14  B  N   14  B  H   -6.032030  1.00
 15  B  N   15  B  H   11.963736  1.00
* 16  B  N   16  B  H    4.111920  1.00
 17  B  N   17  B  H   14.918370  1.00
 18  B  N   18  B  H    2.656869  1.00
 21  B  N   21  B  H   13.886660  1.00
 22  B  N   22  B  H   20.343619  1.00
 23  B  N   23  B  H  -18.919923  1.00
 25  B  N   25  B  H  -18.786346  1.00
* 26  B  N   26  B  H  -25.388187  1.00
 27  B  N   27  B  H  -15.253260  1.00
 28  B  N   28  B  H  -23.530169  1.00
 29  B  N   29  B  H  -13.359675  1.00
 31  B  N   31  B  H  -19.284109  1.00
 32  B  N   32  B  H  -22.419656  1.00
 33  B  N   33  B  H  -11.613838  1.00
 35  B  N   35  B  H  -14.559925  1.00
 36  B  N   36  B  H   -4.260940  1.00
 39  B  N   39  B  H   14.193042  1.00
 40  B  N   40  B  H    6.791301  1.00
 41  B  N   41  B  H   14.390063  1.00
 42  B  N   42  B  H   -9.192503  1.00
 43  B  N   43  B  H   -0.339421  1.00
 44  B  N   44  B  H  -11.917524  1.00
 45  B  N   45  B  H   -3.801626  1.00
 46  B  N   46  B  H   -7.933038  1.00
 47  B  N   47  B  H  -10.830848  1.00
 48  B  N   48  B  H   -2.120061  1.00
 49  B  N   49  B  H    0.390553  1.00
 50  B  N   50  B  H  -16.767475  1.00
 54  B  N   54  B  H  -19.014324  1.00
 55  B  N   55  B  H  -14.352595  1.00
 56  B  N   56  B  H   16.177121  1.00
 57  B  N   57  B  H   23.341480  1.00
 58  B  N   58  B  H   11.003927  1.00
 59  B  N   59  B  H    8.533533  1.00
 60  B  N   60  B  H   11.756017  1.00
 61  B  N   61  B  H   18.270600  1.00
 62  B  N   62  B  H    8.915928  1.00
 63  B  N   63  B  H  -20.919782  1.00
 64  B  N   64  B  H   20.975113  1.00
 65  B  N   65  B  H    6.165177  1.00
 66  B  N   66  B  H   10.351980  1.00
 67  B  N   67  B  H    1.783406  1.00
 68  B  N   68  B  H  -12.335036  1.00
 69  B  N   69  B  H   -8.917831  1.00
 70  B  N   70  B  H   -7.176870  1.00
* 71  B  N   71  B  H    6.485490  1.00
* 72  B  N   72  B  H   12.823229  1.00
* 73  B  N   73  B  H   10.012113  1.00
* 74  B  N   74  B  H   -1.948349  1.00
* 75  B  N   75  B  H    0.178237  1.00
* 76  B  N   76  B  H    1.855991  1.00
% 77  B  N   77  B  H    1.201257  1.00
% 78  B  N   78  B  H    8.393466  1.00
  Entry H atom name         Submitted Coord H atom name
    1    H1   MET   1           1H       MET   1 -12.096  -5.106  13.119
    2    H2   MET   1           2H       MET   1 -12.753  -5.810  11.719
    3    H3   MET   1           3H       MET   1 -11.266  -4.992  11.643
    4    HA   MET   1           HA       MET   1 -11.650  -7.369  13.358
    5    HB2  MET   1           1HB      MET   1 -10.625  -8.679  11.508
    6    HB3  MET   1           2HB      MET   1 -12.204  -8.036  11.070
    7    HG2  MET   1           1HG      MET   1 -11.070  -6.115   9.957
    8    HG3  MET   1           2HG      MET   1  -9.515  -6.872  10.306
    9    HE1  MET   1           3HE      MET   1  -8.348  -7.998   8.440
   10    HE2  MET   1           1HE      MET   1  -9.110  -6.551   7.765
   11    HE3  MET   1           2HE      MET   1  -9.123  -8.063   6.859
   12    H    GLN   2           H        GLN   2  -9.602  -8.261  13.982
   13    HA   GLN   2           HA       GLN   2  -7.483  -6.229  14.125
   14    HB2  GLN   2           1HB      GLN   2  -7.924  -8.825  15.610
   15    HB3  GLN   2           2HB      GLN   2  -6.474  -7.838  15.785
   16    HG2  GLN   2           1HG      GLN   2  -9.274  -6.791  16.253
   17    HG3  GLN   2           2HG      GLN   2  -8.231  -7.409  17.532
   18   HE21  GLN   2          1HE2      GLN   2  -9.121  -4.678  17.483
   19   HE22  GLN   2          2HE2      GLN   2  -7.756  -3.700  17.250
   20    H    ILE   3           H        ILE   3  -5.460  -6.532  13.359
   21    HA   ILE   3           HA       ILE   3  -4.791  -9.040  11.969
   22    HB   ILE   3           HB       ILE   3  -3.774  -7.801  10.142
   23   HG12  ILE   3          1HG1      ILE   3  -5.051  -5.300  11.294
   24   HG13  ILE   3          2HG1      ILE   3  -3.350  -5.693  11.532
   25   HG21  ILE   3          1HG2      ILE   3  -6.114  -8.510   9.930
   26   HG22  ILE   3          2HG2      ILE   3  -5.852  -6.989   9.078
   27   HG23  ILE   3          3HG2      ILE   3  -6.654  -6.992  10.649
   28   HD11  ILE   3          3HD1      ILE   3  -4.508  -5.668   8.754
   29   HD12  ILE   3          1HD1      ILE   3  -2.834  -5.448   9.266
   30   HD13  ILE   3          2HD1      ILE   3  -4.010  -4.163   9.527
   31    H    PHE   4           H        PHE   4  -2.351  -9.154  11.607
   32    HA   PHE   4           HA       PHE   4  -0.913  -7.797  13.814
   33    HB2  PHE   4           1HB      PHE   4  -0.579 -10.654  12.881
   34    HB3  PHE   4           2HB      PHE   4   0.415  -9.860  14.087
   35    HD1  PHE   4           HD1      PHE   4  -0.671  -8.999  16.212
   36    HD2  PHE   4           HD2      PHE   4  -2.704 -11.578  13.444
   37    HE1  PHE   4           HE1      PHE   4  -2.320  -9.584  17.969
   38    HE2  PHE   4           HE2      PHE   4  -4.353 -12.162  15.203
   39    HZ   PHE   4           HZ       PHE   4  -4.162 -11.165  17.465
   40    H    VAL   5           H        VAL   5   1.093  -6.993  13.360
   41    HA   VAL   5           HA       VAL   5   2.209  -7.497  10.655
   42    HB   VAL   5           HB       VAL   5   2.392  -4.899  12.207
   43   HG11  VAL   5          1HG1      VAL   5   4.330  -5.307  10.772
   44   HG12  VAL   5          2HG1      VAL   5   3.311  -4.087  10.011
   45   HG13  VAL   5          3HG1      VAL   5   3.280  -5.750   9.427
   46   HG21  VAL   5          3HG2      VAL   5   0.876  -3.986  10.513
   47   HG22  VAL   5          1HG2      VAL   5   0.096  -5.356  11.305
   48   HG23  VAL   5          2HG2      VAL   5   0.798  -5.550   9.699
   49    H    LYS   6           H        LYS   6   4.165  -8.435  10.761
   50    HA   LYS   6           HA       LYS   6   5.653  -8.326  13.314
   51    HB2  LYS   6           1HB      LYS   6   5.503 -10.296  11.070
   52    HB3  LYS   6           2HB      LYS   6   7.032 -10.157  11.944
   53    HG2  LYS   6           1HG      LYS   6   5.830 -10.536  14.076
   54    HG3  LYS   6           2HG      LYS   6   4.304 -10.678  13.200
   55    HD2  LYS   6           1HD      LYS   6   5.191 -12.602  11.962
   56    HD3  LYS   6           2HD      LYS   6   6.717 -12.458  12.835
   57    HE2  LYS   6           1HE      LYS   6   5.172 -14.193  13.798
   58    HE3  LYS   6           2HE      LYS   6   5.614 -12.928  14.945
   59    HZ1  LYS   6           3HZ      LYS   6   3.204 -12.613  13.294
   60    HZ2  LYS   6           1HZ      LYS   6   3.551 -11.966  14.822
   61    HZ3  LYS   6           2HZ      LYS   6   3.149 -13.610  14.668
   62    H    THR   7           H        THR   7   7.727  -7.592  13.458
   63    HA   THR   7           HA       THR   7   8.686  -6.021  11.164
   64    HB   THR   7           HB       THR   7   9.958  -4.724  12.713
   65    HG1  THR   7           HG1      THR   7  10.272  -5.334  14.786
   66   HG21  THR   7          1HG2      THR   7   7.661  -4.056  12.654
   67   HG22  THR   7          2HG2      THR   7   8.199  -3.976  14.331
   68   HG23  THR   7          3HG2      THR   7   7.205  -5.327  13.789
   69    H    LEU   8           H        LEU   8  11.001  -5.835  10.939
   70    HA   LEU   8           HA       LEU   8  12.197  -8.368  10.444
   71    HB2  LEU   8           1HB      LEU   8  13.520  -5.653  10.648
   72    HB3  LEU   8           2HB      LEU   8  14.224  -7.090   9.909
   73    HG   LEU   8           HG       LEU   8  11.657  -5.768   9.019
   74   HD11  LEU   8          1HD1      LEU   8  14.374  -5.765   7.676
   75   HD12  LEU   8          2HD1      LEU   8  13.739  -4.420   8.624
   76   HD13  LEU   8          3HD1      LEU   8  12.927  -4.912   7.137
   77   HD21  LEU   8          3HD2      LEU   8  13.196  -8.197   8.114
   78   HD22  LEU   8          1HD2      LEU   8  12.285  -7.264   6.926
   79   HD23  LEU   8          2HD2      LEU   8  11.453  -7.989   8.297
   80    H    THR   9           H        THR   9  12.093  -6.438  13.320
   81    HA   THR   9           HA       THR   9  14.445  -7.801  14.434
   82    HB   THR   9           HB       THR   9  14.298  -6.248  16.288
   83    HG1  THR   9           HG1      THR   9  12.114  -6.080  16.546
   84   HG21  THR   9          1HG2      THR   9  15.404  -5.369  14.314
   85   HG22  THR   9          2HG2      THR   9  14.434  -4.078  15.026
   86   HG23  THR   9          3HG2      THR   9  13.854  -4.930  13.594
   87    H    GLY  10           H        GLY  10  11.328  -8.619  14.100
   88    HA2  GLY  10           1HA      GLY  10  10.460 -10.629  14.975
   89    HA3  GLY  10           2HA      GLY  10  11.565 -10.498  16.334
   90    H    LYS  11           H        LYS  11   9.850  -7.614  15.638
   91    HA   LYS  11           HA       LYS  11   8.288  -7.975  18.087
   92    HB2  LYS  11           1HB      LYS  11   9.546  -5.837  17.588
   93    HB3  LYS  11           2HB      LYS  11   8.395  -5.544  16.295
   94    HG2  LYS  11           1HG      LYS  11   6.533  -5.615  17.909
   95    HG3  LYS  11           2HG      LYS  11   7.677  -5.915  19.218
   96    HD2  LYS  11           1HD      LYS  11   8.792  -3.765  18.739
   97    HD3  LYS  11           2HD      LYS  11   7.642  -3.460  17.437
   98    HE2  LYS  11           1HE      LYS  11   6.940  -2.283  19.473
   99    HE3  LYS  11           2HE      LYS  11   5.785  -3.554  19.077
  100    HZ1  LYS  11           3HZ      LYS  11   6.683  -3.333  21.482
  101    HZ2  LYS  11           1HZ      LYS  11   8.037  -4.149  20.867
  102    HZ3  LYS  11           2HZ      LYS  11   6.503  -4.875  20.789
  103    H    THR  12           H        THR  12   5.965  -7.939  18.104
  104    HA   THR  12           HA       THR  12   4.679  -8.090  15.417
  105    HB   THR  12           HB       THR  12   3.834  -9.517  17.963
  106    HG1  THR  12           HG1      THR  12   4.384 -11.353  16.614
  107   HG21  THR  12          1HG2      THR  12   2.247 -10.641  16.341
  108   HG22  THR  12          2HG2      THR  12   2.716  -9.436  15.144
  109   HG23  THR  12          3HG2      THR  12   1.902  -8.936  16.625
  110    H    ILE  13           H        ILE  13   3.174  -6.545  15.035
  111    HA   ILE  13           HA       ILE  13   2.114  -5.004  17.348
  112    HB   ILE  13           HB       ILE  13   2.002  -3.990  14.502
  113   HG12  ILE  13          1HG1      ILE  13   4.377  -3.857  16.382
  114   HG13  ILE  13          2HG1      ILE  13   4.331  -4.569  14.770
  115   HG21  ILE  13          1HG2      ILE  13   1.879  -1.849  15.563
  116   HG22  ILE  13          2HG2      ILE  13   2.398  -2.508  17.112
  117   HG23  ILE  13          3HG2      ILE  13   0.803  -2.903  16.477
  118   HD11  ILE  13          3HD1      ILE  13   5.348  -2.421  14.514
  119   HD12  ILE  13          1HD1      ILE  13   4.106  -1.641  15.495
  120   HD13  ILE  13          2HD1      ILE  13   3.704  -2.265  13.895
  121    H    THR  14           H        THR  14  -0.077  -4.787  17.600
  122    HA   THR  14           HA       THR  14  -1.785  -6.316  15.732
  123    HB   THR  14           HB       THR  14  -2.334  -5.425  18.583
  124    HG1  THR  14           HG1      THR  14  -1.085  -7.094  18.911
  125   HG21  THR  14          1HG2      THR  14  -3.900  -6.991  16.538
  126   HG22  THR  14          2HG2      THR  14  -4.415  -5.599  17.492
  127   HG23  THR  14          3HG2      THR  14  -4.200  -7.168  18.268
  128    H    LEU  15           H        LEU  15  -3.289  -5.232  14.545
  129    HA   LEU  15           HA       LEU  15  -3.810  -2.381  15.213
  130    HB2  LEU  15           1HB      LEU  15  -3.487  -3.582  12.455
  131    HB3  LEU  15           2HB      LEU  15  -3.860  -1.903  12.811
  132    HG   LEU  15           HG       LEU  15  -1.354  -3.308  13.783
  133   HD11  LEU  15          1HD1      LEU  15  -0.212  -2.019  11.976
  134   HD12  LEU  15          2HD1      LEU  15  -1.791  -1.524  11.368
  135   HD13  LEU  15          3HD1      LEU  15  -1.331  -3.226  11.345
  136   HD21  LEU  15          3HD2      LEU  15  -2.368  -0.457  13.829
  137   HD22  LEU  15          1HD2      LEU  15  -0.641  -0.802  13.908
  138   HD23  LEU  15          2HD2      LEU  15  -1.717  -1.415  15.160
  139    H    GLU  16           H        GLU  16  -5.893  -1.604  14.711
  140    HA   GLU  16           HA       GLU  16  -7.925  -3.719  14.281
  141    HB2  GLU  16           1HB      GLU  16  -8.257  -2.310  16.318
  142    HB3  GLU  16           2HB      GLU  16  -8.283  -0.871  15.303
  143    HG2  GLU  16           1HG      GLU  16 -10.252  -1.748  14.102
  144    HG3  GLU  16           2HG      GLU  16 -10.226  -3.190  15.116
  145    H    VAL  17           H        VAL  17  -8.755  -3.832  12.270
  146    HA   VAL  17           HA       VAL  17  -8.840  -1.394  10.603
  147    HB   VAL  17           HB       VAL  17  -7.965  -2.687   8.687
  148   HG11  VAL  17          1HG1      VAL  17  -5.671  -2.516   9.293
  149   HG12  VAL  17          2HG1      VAL  17  -6.012  -2.863  10.988
  150   HG13  VAL  17          3HG1      VAL  17  -6.497  -1.319  10.289
  151   HG21  VAL  17          3HG2      VAL  17  -8.564  -4.929   9.389
  152   HG22  VAL  17          1HG2      VAL  17  -7.549  -4.798  10.825
  153   HG23  VAL  17          2HG2      VAL  17  -6.810  -4.856   9.225
  154    H    GLU  18           H        GLU  18 -10.043  -1.745   8.598
  155    HA   GLU  18           HA       GLU  18 -12.282  -3.651   8.934
  156    HB2  GLU  18           1HB      GLU  18 -12.278  -0.851   7.756
  157    HB3  GLU  18           2HB      GLU  18 -13.631  -1.970   7.622
  158    HG2  GLU  18           1HG      GLU  18 -12.440  -1.256  10.305
  159    HG3  GLU  18           2HG      GLU  18 -13.687  -0.258   9.559
  160    HA   PRO  19           HA       PRO  19 -10.800  -5.303   5.100
  161    HB2  PRO  19           1HB      PRO  19 -13.557  -5.452   3.975
  162    HB3  PRO  19           2HB      PRO  19 -12.358  -6.742   4.214
  163    HG2  PRO  19           1HG      PRO  19 -14.499  -6.520   5.827
  164    HG3  PRO  19           2HG      PRO  19 -12.916  -7.034   6.432
  165    HD2  PRO  19           1HD      PRO  19 -14.227  -4.327   6.710
  166    HD3  PRO  19           2HD      PRO  19 -13.261  -5.263   7.883
  167    H    SER  20           H        SER  20 -12.972  -2.574   5.032
  168    HA   SER  20           HA       SER  20 -12.370  -1.887   2.275
  169    HB2  SER  20           1HB      SER  20 -13.724   0.168   2.829
  170    HB3  SER  20           2HB      SER  20 -14.574  -1.366   2.987
  171    HG   SER  20           HG       SER  20 -13.200  -0.292   5.190
  172    H    ASP  21           H        ASP  21 -10.586  -1.578   5.079
  173    HA   ASP  21           HA       ASP  21  -9.682   1.127   4.785
  174    HB2  ASP  21           1HB      ASP  21  -8.638  -1.306   6.234
  175    HB3  ASP  21           2HB      ASP  21  -7.700   0.184   6.160
  176    H    THR  22           H        THR  22  -7.928   1.866   3.723
  177    HA   THR  22           HA       THR  22  -6.934   0.272   1.514
  178    HB   THR  22           HB       THR  22  -5.841   2.301   0.785
  179    HG1  THR  22           HG1      THR  22  -6.657   3.155   3.332
  180   HG21  THR  22          1HG2      THR  22  -8.151   2.068   0.112
  181   HG22  THR  22          2HG2      THR  22  -7.850   3.759   0.514
  182   HG23  THR  22          3HG2      THR  22  -8.707   2.720   1.654
  183    H    ILE  23           H        ILE  23  -4.687   0.047   1.086
  184    HA   ILE  23           HA       ILE  23  -3.132  -0.797   3.311
  185    HB   ILE  23           HB       ILE  23  -2.392  -0.143   0.467
  186   HG12  ILE  23          1HG1      ILE  23  -3.948  -1.982   0.634
  187   HG13  ILE  23          2HG1      ILE  23  -2.375  -2.609   0.187
  188   HG21  ILE  23          1HG2      ILE  23  -0.367   0.026   1.711
  189   HG22  ILE  23          2HG2      ILE  23  -0.358  -1.572   0.964
  190   HG23  ILE  23          3HG2      ILE  23  -0.765  -1.399   2.670
  191   HD11  ILE  23          3HD1      ILE  23  -2.996  -4.099   1.850
  192   HD12  ILE  23          1HD1      ILE  23  -3.846  -2.873   2.775
  193   HD13  ILE  23          2HD1      ILE  23  -2.084  -2.923   2.794
  194    H    GLU  24           H        GLU  24  -3.207   2.230   1.463
  195    HA   GLU  24           HA       GLU  24  -0.968   3.443   2.692
  196    HB2  GLU  24           1HB      GLU  24  -2.083   4.394   0.687
  197    HB3  GLU  24           2HB      GLU  24  -3.506   4.758   1.657
  198    HG2  GLU  24           1HG      GLU  24  -2.176   6.259   3.080
  199    HG3  GLU  24           2HG      GLU  24  -0.730   5.876   2.147
  200    H    ASN  25           H        ASN  25  -4.374   3.170   3.614
  201    HA   ASN  25           HA       ASN  25  -4.209   4.918   5.867
  202    HB2  ASN  25           1HB      ASN  25  -6.088   2.632   5.251
  203    HB3  ASN  25           2HB      ASN  25  -6.249   3.678   6.664
  204   HD21  ASN  25          1HD2      ASN  25  -8.345   4.442   5.738
  205   HD22  ASN  25          2HD2      ASN  25  -8.341   5.586   4.485
  206    H    VAL  26           H        VAL  26  -3.707   1.440   5.427
  207    HA   VAL  26           HA       VAL  26  -3.306   0.821   8.184
  208    HB   VAL  26           HB       VAL  26  -2.282  -0.543   5.673
  209   HG11  VAL  26          1HG1      VAL  26  -2.003  -2.509   7.279
  210   HG12  VAL  26          2HG1      VAL  26  -2.144  -1.334   8.587
  211   HG13  VAL  26          3HG1      VAL  26  -0.818  -1.213   7.430
  212   HG21  VAL  26          3HG2      VAL  26  -4.801  -0.418   6.149
  213   HG22  VAL  26          1HG2      VAL  26  -4.477  -1.452   7.541
  214   HG23  VAL  26          2HG2      VAL  26  -4.123  -2.027   5.912
  215    H    LYS  27           H        LYS  27  -1.016   1.798   5.623
  216    HA   LYS  27           HA       LYS  27   1.336   1.563   7.150
  217    HB2  LYS  27           1HB      LYS  27   0.611   3.520   4.953
  218    HB3  LYS  27           2HB      LYS  27   2.212   3.371   5.661
  219    HG2  LYS  27           1HG      LYS  27   1.808   0.760   4.951
  220    HG3  LYS  27           2HG      LYS  27   0.851   1.579   3.689
  221    HD2  LYS  27           1HD      LYS  27   2.909   3.107   3.418
  222    HD3  LYS  27           2HD      LYS  27   3.770   1.838   4.277
  223    HE2  LYS  27           1HE      LYS  27   2.126   1.406   1.769
  224    HE3  LYS  27           2HE      LYS  27   3.882   1.547   1.809
  225    HZ1  LYS  27           3HZ      LYS  27   4.086  -0.418   3.024
  226    HZ2  LYS  27           1HZ      LYS  27   2.914  -0.777   1.852
  227    HZ3  LYS  27           2HZ      LYS  27   2.441  -0.446   3.450
  228    H    ALA  28           H        ALA  28  -1.047   4.160   6.798
  229    HA   ALA  28           HA       ALA  28   0.344   6.123   8.264
  230    HB1  ALA  28           3HB      ALA  28  -2.650   5.811   7.956
  231    HB2  ALA  28           1HB      ALA  28  -1.589   6.641   6.820
  232    HB3  ALA  28           2HB      ALA  28  -1.802   7.275   8.452
  233    H    LYS  29           H        LYS  29  -1.846   3.549   9.262
  234    HA   LYS  29           HA       LYS  29  -2.087   4.371  11.975
  235    HB2  LYS  29           1HB      LYS  29  -2.384   1.670  10.639
  236    HB3  LYS  29           2HB      LYS  29  -2.712   1.947  12.347
  237    HG2  LYS  29           1HG      LYS  29  -4.394   3.655  11.753
  238    HG3  LYS  29           2HG      LYS  29  -4.067   3.379  10.042
  239    HD2  LYS  29           1HD      LYS  29  -4.756   1.022  10.286
  240    HD3  LYS  29           2HD      LYS  29  -5.091   1.295  11.994
  241    HE2  LYS  29           1HE      LYS  29  -6.444   3.167  10.102
  242    HE3  LYS  29           2HE      LYS  29  -7.001   1.495  10.075
  243    HZ1  LYS  29           3HZ      LYS  29  -6.882   3.318  12.410
  244    HZ2  LYS  29           1HZ      LYS  29  -7.172   1.652  12.546
  245    HZ3  LYS  29           2HZ      LYS  29  -8.263   2.637  11.694
  246    H    ILE  30           H        ILE  30   0.206   2.288  10.236
  247    HA   ILE  30           HA       ILE  30   1.697   1.419  12.528
  248    HB   ILE  30           HB       ILE  30   2.395   1.595   9.590
  249   HG12  ILE  30          1HG1      ILE  30   1.706  -0.682  11.484
  250   HG13  ILE  30          2HG1      ILE  30   0.656  -0.019  10.230
  251   HG21  ILE  30          1HG2      ILE  30   4.490   1.774  10.795
  252   HG22  ILE  30          2HG2      ILE  30   4.345   0.092  10.301
  253   HG23  ILE  30          3HG2      ILE  30   3.985   0.554  11.962
  254   HD11  ILE  30          3HD1      ILE  30   1.559  -1.900   9.178
  255   HD12  ILE  30          1HD1      ILE  30   3.134  -1.696   9.944
  256   HD13  ILE  30          2HD1      ILE  30   2.644  -0.624   8.628
  257    H    GLN  31           H        GLN  31   1.982   4.239  10.366
  258    HA   GLN  31           HA       GLN  31   4.425   5.224  11.354
  259    HB2  GLN  31           1HB      GLN  31   3.322   6.117   9.336
  260    HB3  GLN  31           2HB      GLN  31   1.989   6.718  10.323
  261    HG2  GLN  31           1HG      GLN  31   3.547   8.223  11.509
  262    HG3  GLN  31           2HG      GLN  31   4.890   7.590  10.558
  263   HE21  GLN  31          1HE2      GLN  31   4.777  10.185  10.169
  264   HE22  GLN  31          2HE2      GLN  31   3.944  10.627   8.757
  265    H    ASP  32           H        ASP  32   1.094   5.756  12.340
  266    HA   ASP  32           HA       ASP  32   1.574   7.652  14.358
  267    HB2  ASP  32           1HB      ASP  32  -0.665   7.135  13.469
  268    HB3  ASP  32           2HB      ASP  32  -0.605   5.554  14.243
  269    H    LYS  33           H        LYS  33   1.546   4.111  14.478
  270    HA   LYS  33           HA       LYS  33   1.986   4.034  17.326
  271    HB2  LYS  33           1HB      LYS  33   2.218   1.835  15.286
  272    HB3  LYS  33           2HB      LYS  33   2.089   1.612  17.026
  273    HG2  LYS  33           1HG      LYS  33  -0.149   3.201  16.440
  274    HG3  LYS  33           2HG      LYS  33  -0.065   2.095  15.073
  275    HD2  LYS  33           1HD      LYS  33   0.080   0.183  16.679
  276    HD3  LYS  33           2HD      LYS  33  -0.150   1.331  18.001
  277    HE2  LYS  33           1HE      LYS  33  -2.318   2.003  17.066
  278    HE3  LYS  33           2HE      LYS  33  -2.086   0.907  15.706
  279    HZ1  LYS  33           3HZ      LYS  33  -3.478   0.054  17.610
  280    HZ2  LYS  33           1HZ      LYS  33  -2.046  -0.022  18.516
  281    HZ3  LYS  33           2HZ      LYS  33  -2.207  -0.954  17.105
  282    H    GLU  34           H        GLU  34   4.101   3.450  14.491
  283    HA   GLU  34           HA       GLU  34   6.336   2.969  16.379
  284    HB2  GLU  34           1HB      GLU  34   5.884   2.134  13.525
  285    HB3  GLU  34           2HB      GLU  34   7.390   1.863  14.404
  286    HG2  GLU  34           1HG      GLU  34   4.673   1.037  15.411
  287    HG3  GLU  34           2HG      GLU  34   5.697  -0.079  14.475
  288    H    GLY  35           H        GLY  35   5.351   5.346  14.094
  289    HA2  GLY  35           1HA      GLY  35   6.378   7.391  13.719
  290    HA3  GLY  35           2HA      GLY  35   7.797   6.828  14.595
  291    H    ILE  36           H        ILE  36   6.843   4.638  12.211
  292    HA   ILE  36           HA       ILE  36   9.186   5.257  10.597
  293    HB   ILE  36           HB       ILE  36   7.098   3.122  10.165
  294   HG12  ILE  36          1HG1      ILE  36   9.747   2.625  11.534
  295   HG13  ILE  36          2HG1      ILE  36   8.388   3.207  12.487
  296   HG21  ILE  36          1HG2      ILE  36  10.026   3.136   9.392
  297   HG22  ILE  36          2HG2      ILE  36   8.775   3.748   8.315
  298   HG23  ILE  36          3HG2      ILE  36   8.761   2.058   8.815
  299   HD11  ILE  36          3HD1      ILE  36   8.419   0.707  10.777
  300   HD12  ILE  36          1HD1      ILE  36   7.009   1.314  11.644
  301   HD13  ILE  36          2HD1      ILE  36   8.427   0.768  12.539
  302    HA   PRO  37           HA       PRO  37   6.465   7.751   7.947
  303    HB2  PRO  37           1HB      PRO  37   8.758   7.772   6.038
  304    HB3  PRO  37           2HB      PRO  37   7.865   9.144   6.724
  305    HG2  PRO  37           1HG      PRO  37  10.347   8.521   7.535
  306    HG3  PRO  37           2HG      PRO  37   9.132   9.178   8.644
  307    HD2  PRO  37           1HD      PRO  37  10.095   6.341   8.397
  308    HD3  PRO  37           2HD      PRO  37   9.611   7.270   9.838
  309    HA   PRO  38           HA       PRO  38   4.797   4.418   5.446
  310    HB2  PRO  38           1HB      PRO  38   3.835   6.670   3.679
  311    HB3  PRO  38           2HB      PRO  38   2.913   5.308   4.339
  312    HG2  PRO  38           1HG      PRO  38   2.683   7.746   5.371
  313    HG3  PRO  38           2HG      PRO  38   2.664   6.301   6.403
  314    HD2  PRO  38           1HD      PRO  38   4.845   8.322   6.043
  315    HD3  PRO  38           2HD      PRO  38   4.404   7.346   7.465
  316    H    ASP  39           H        ASP  39   6.657   6.977   3.833
  317    HA   ASP  39           HA       ASP  39   6.876   5.516   1.400
  318    HB2  ASP  39           1HB      ASP  39   8.463   7.834   2.502
  319    HB3  ASP  39           2HB      ASP  39   8.766   7.085   0.913
  320    H    GLN  40           H        GLN  40   8.417   5.103   4.416
  321    HA   GLN  40           HA       GLN  40  10.723   3.711   3.203
  322    HB2  GLN  40           1HB      GLN  40  10.154   4.588   6.039
  323    HB3  GLN  40           2HB      GLN  40  11.543   3.602   5.585
  324    HG2  GLN  40           1HG      GLN  40  12.231   5.340   3.973
  325    HG3  GLN  40           2HG      GLN  40  10.904   6.361   4.513
  326   HE21  GLN  40          1HE2      GLN  40  13.850   6.880   4.784
  327   HE22  GLN  40          2HE2      GLN  40  14.117   7.079   6.449
  328    H    GLN  41           H        GLN  41   7.669   2.944   4.013
  329    HA   GLN  41           HA       GLN  41   8.349   0.305   5.187
  330    HB2  GLN  41           1HB      GLN  41   5.853   1.968   5.160
  331    HB3  GLN  41           2HB      GLN  41   5.824   0.271   5.628
  332    HG2  GLN  41           1HG      GLN  41   7.552   0.768   7.348
  333    HG3  GLN  41           2HG      GLN  41   7.456   2.478   6.905
  334   HE21  GLN  41          1HE2      GLN  41   6.021   3.678   8.126
  335   HE22  GLN  41          2HE2      GLN  41   4.677   3.044   8.947
  336    H    ARG  42           H        ARG  42   7.858  -1.562   4.279
  337    HA   ARG  42           HA       ARG  42   6.282  -1.648   1.782
  338    HB2  ARG  42           1HB      ARG  42   8.848  -3.091   2.410
  339    HB3  ARG  42           2HB      ARG  42   7.755  -3.624   1.139
  340    HG2  ARG  42           1HG      ARG  42   7.975  -1.408   0.063
  341    HG3  ARG  42           2HG      ARG  42   9.086  -0.910   1.343
  342    HD2  ARG  42           1HD      ARG  42  10.623  -2.734   0.730
  343    HD3  ARG  42           2HD      ARG  42   9.518  -3.243  -0.544
  344    HE   ARG  42           HE       ARG  42  10.393  -0.478  -0.731
  345   HH11  ARG  42          1HH1      ARG  42  11.186  -3.773  -1.398
  346   HH12  ARG  42          2HH1      ARG  42  12.027  -3.421  -2.871
  347   HH21  ARG  42          1HH2      ARG  42  11.397  -0.015  -2.728
  348   HH22  ARG  42          2HH2      ARG  42  12.149  -1.294  -3.622
  349    H    LEU  43           H        LEU  43   4.531  -2.935   2.027
  350    HA   LEU  43           HA       LEU  43   4.498  -4.845   4.292
  351    HB2  LEU  43           1HB      LEU  43   2.271  -3.436   2.795
  352    HB3  LEU  43           2HB      LEU  43   2.027  -4.721   3.977
  353    HG   LEU  43           HG       LEU  43   3.513  -2.145   4.592
  354   HD11  LEU  43          1HD1      LEU  43   1.406  -1.476   5.751
  355   HD12  LEU  43          2HD1      LEU  43   0.613  -2.903   5.082
  356   HD13  LEU  43          3HD1      LEU  43   1.189  -1.629   4.007
  357   HD21  LEU  43          3HD2      LEU  43   2.516  -4.500   6.219
  358   HD22  LEU  43          1HD2      LEU  43   2.756  -2.925   6.972
  359   HD23  LEU  43          2HD2      LEU  43   4.113  -3.758   6.228
  360    H    ILE  44           H        ILE  44   4.396  -6.922   3.981
  361    HA   ILE  44           HA       ILE  44   3.717  -7.970   1.289
  362    HB   ILE  44           HB       ILE  44   5.939  -8.695   3.195
  363   HG12  ILE  44          1HG1      ILE  44   6.991  -8.980   0.729
  364   HG13  ILE  44          2HG1      ILE  44   5.727  -7.853   0.309
  365   HG21  ILE  44          1HG2      ILE  44   6.268 -10.747   1.652
  366   HG22  ILE  44          2HG2      ILE  44   4.579 -10.514   1.202
  367   HG23  ILE  44          3HG2      ILE  44   5.006 -10.844   2.882
  368   HD11  ILE  44          3HD1      ILE  44   7.732  -7.371   2.521
  369   HD12  ILE  44          1HD1      ILE  44   6.522  -6.234   1.918
  370   HD13  ILE  44          2HD1      ILE  44   7.863  -6.725   0.885
  371    H    PHE  45           H        PHE  45   2.347  -9.621   1.171
  372    HA   PHE  45           HA       PHE  45   1.592 -11.091   3.601
  373    HB2  PHE  45           1HB      PHE  45  -0.094  -9.335   3.422
  374    HB3  PHE  45           2HB      PHE  45  -0.395  -9.760   1.739
  375    HD1  PHE  45           HD1      PHE  45  -0.506 -11.091   5.222
  376    HD2  PHE  45           HD2      PHE  45  -1.886 -11.521   1.176
  377    HE1  PHE  45           HE1      PHE  45  -2.130 -12.817   5.958
  378    HE2  PHE  45           HE2      PHE  45  -3.507 -13.246   1.913
  379    HZ   PHE  45           HZ       PHE  45  -3.629 -13.894   4.303
  380    H    ALA  46           H        ALA  46   1.569 -13.187   3.204
  381    HA   ALA  46           HA       ALA  46   1.830 -15.151   2.076
  382    HB1  ALA  46           3HB      ALA  46  -0.389 -13.817   0.531
  383    HB2  ALA  46           1HB      ALA  46  -0.526 -15.002   1.829
  384    HB3  ALA  46           2HB      ALA  46   0.103 -15.487   0.255
  385    H    GLY  47           H        GLY  47   3.760 -13.225   1.381
  386    HA2  GLY  47           1HA      GLY  47   5.568 -13.292  -0.081
  387    HA3  GLY  47           2HA      GLY  47   4.655 -14.390  -1.091
  388    H    LYS  48           H        LYS  48   2.651 -11.730  -0.699
  389    HA   LYS  48           HA       LYS  48   3.697 -10.524  -3.210
  390    HB2  LYS  48           1HB      LYS  48   0.900 -10.362  -2.122
  391    HB3  LYS  48           2HB      LYS  48   1.425  -9.915  -3.737
  392    HG2  LYS  48           1HG      LYS  48   2.038 -12.277  -4.198
  393    HG3  LYS  48           2HG      LYS  48   1.474 -12.728  -2.594
  394    HD2  LYS  48           1HD      LYS  48  -0.254 -11.413  -4.714
  395    HD3  LYS  48           2HD      LYS  48  -0.222 -13.146  -4.390
  396    HE2  LYS  48           1HE      LYS  48  -0.740 -12.419  -1.913
  397    HE3  LYS  48           2HE      LYS  48  -1.283 -10.920  -2.668
  398    HZ1  LYS  48           3HZ      LYS  48  -2.755 -13.182  -2.400
  399    HZ2  LYS  48           1HZ      LYS  48  -2.243 -13.257  -4.015
  400    HZ3  LYS  48           2HZ      LYS  48  -3.095 -11.897  -3.459
  401    H    GLN  49           H        GLN  49   4.047  -8.354  -3.363
  402    HA   GLN  49           HA       GLN  49   4.109  -6.804  -0.904
  403    HB2  GLN  49           1HB      GLN  49   5.829  -6.745  -2.766
  404    HB3  GLN  49           2HB      GLN  49   4.652  -5.862  -3.736
  405    HG2  GLN  49           1HG      GLN  49   4.566  -4.052  -2.136
  406    HG3  GLN  49           2HG      GLN  49   5.541  -4.958  -0.981
  407   HE21  GLN  49          1HE2      GLN  49   5.675  -2.869  -3.772
  408   HE22  GLN  49          2HE2      GLN  49   7.366  -2.854  -3.926
  409    H    LEU  50           H        LEU  50   2.511  -5.474  -0.241
  410    HA   LEU  50           HA       LEU  50   0.077  -5.293  -1.833
  411    HB2  LEU  50           1HB      LEU  50   0.626  -4.139   0.909
  412    HB3  LEU  50           2HB      LEU  50  -0.930  -4.419   0.148
  413    HG   LEU  50           HG       LEU  50   1.084  -6.584   0.814
  414   HD11  LEU  50          1HD1      LEU  50  -1.519  -5.848   2.184
  415   HD12  LEU  50          2HD1      LEU  50   0.092  -5.558   2.833
  416   HD13  LEU  50          3HD1      LEU  50  -0.485  -7.205   2.606
  417   HD21  LEU  50          3HD2      LEU  50  -1.109  -7.984   0.444
  418   HD22  LEU  50          1HD2      LEU  50  -0.201  -7.436  -0.960
  419   HD23  LEU  50          2HD2      LEU  50  -1.647  -6.574  -0.452
  420    H    GLU  51           H        GLU  51  -0.711  -3.517  -2.847
  421    HA   GLU  51           HA       GLU  51   1.064  -1.202  -3.044
  422    HB2  GLU  51           1HB      GLU  51  -1.371  -2.045  -4.628
  423    HB3  GLU  51           2HB      GLU  51  -0.533  -0.512  -4.886
  424    HG2  GLU  51           1HG      GLU  51   1.556  -1.692  -5.329
  425    HG3  GLU  51           2HG      GLU  51   0.772  -3.248  -5.084
  426    H    ASP  52           H        ASP  52   0.446   0.937  -2.769
  427    HA   ASP  52           HA       ASP  52  -1.159   1.409  -0.493
  428    HB2  ASP  52           1HB      ASP  52   0.152   3.284  -2.454
  429    HB3  ASP  52           2HB      ASP  52  -0.672   3.800  -0.989
  430    H    GLY  53           H        GLY  53  -2.037   1.360  -3.844
  431    HA2  GLY  53           1HA      GLY  53  -4.419   3.025  -3.374
  432    HA3  GLY  53           2HA      GLY  53  -3.864   2.406  -4.923
  433    H    ARG  54           H        ARG  54  -3.771  -0.139  -2.743
  434    HA   ARG  54           HA       ARG  54  -6.475  -1.073  -3.595
  435    HB2  ARG  54           1HB      ARG  54  -4.002  -2.608  -2.828
  436    HB3  ARG  54           2HB      ARG  54  -5.543  -3.350  -3.238
  437    HG2  ARG  54           1HG      ARG  54  -3.728  -1.738  -5.079
  438    HG3  ARG  54           2HG      ARG  54  -4.071  -3.440  -5.154
  439    HD2  ARG  54           1HD      ARG  54  -6.533  -2.831  -5.472
  440    HD3  ARG  54           2HD      ARG  54  -5.983  -1.184  -5.775
  441    HE   ARG  54           HE       ARG  54  -5.663  -3.463  -7.531
  442   HH11  ARG  54          1HH1      ARG  54  -5.399  -0.102  -7.092
  443   HH12  ARG  54          2HH1      ARG  54  -4.311   0.152  -8.415
  444   HH21  ARG  54          1HH2      ARG  54  -3.871  -3.225  -9.055
  445   HH22  ARG  54          2HH2      ARG  54  -3.449  -1.612  -9.526
  446    H    THR  55           H        THR  55  -7.545  -2.632  -2.068
  447    HA   THR  55           HA       THR  55  -7.242  -1.709   0.732
  448    HB   THR  55           HB       THR  55  -9.520  -2.402   1.114
  449    HG1  THR  55           HG1      THR  55  -9.597  -3.089  -1.635
  450   HG21  THR  55          1HG2      THR  55  -9.013  -0.155   0.067
  451   HG22  THR  55          2HG2      THR  55 -10.652  -0.751  -0.196
  452   HG23  THR  55          3HG2      THR  55  -9.453  -0.863  -1.487
  453    H    LEU  56           H        LEU  56  -7.878  -3.266   2.410
  454    HA   LEU  56           HA       LEU  56  -6.302  -5.620   2.380
  455    HB2  LEU  56           1HB      LEU  56  -8.684  -4.973   4.127
  456    HB3  LEU  56           2HB      LEU  56  -7.521  -6.257   4.431
  457    HG   LEU  56           HG       LEU  56  -6.822  -3.313   4.256
  458   HD11  LEU  56          1HD1      LEU  56  -7.388  -5.121   6.611
  459   HD12  LEU  56          2HD1      LEU  56  -8.189  -3.608   6.192
  460   HD13  LEU  56          3HD1      LEU  56  -6.521  -3.594   6.763
  461   HD21  LEU  56          3HD2      LEU  56  -4.746  -4.241   5.507
  462   HD22  LEU  56          1HD2      LEU  56  -4.853  -4.611   3.793
  463   HD23  LEU  56          2HD2      LEU  56  -5.289  -5.830   4.980
  464    H    SER  57           H        SER  57  -9.830  -5.216   1.825
  465    HA   SER  57           HA       SER  57 -10.352  -7.964   1.686
  466    HB2  SER  57           1HB      SER  57 -12.405  -7.382   0.491
  467    HB3  SER  57           2HB      SER  57 -12.156  -6.339   1.917
  468    HG   SER  57           HG       SER  57 -12.645  -4.974   0.272
  469    H    ASP  58           H        ASP  58  -9.071  -5.786  -0.721
  470    HA   ASP  58           HA       ASP  58  -9.564  -7.363  -3.008
  471    HB2  ASP  58           1HB      ASP  58  -7.343  -5.405  -2.382
  472    HB3  ASP  58           2HB      ASP  58  -7.570  -6.132  -3.960
  473    H    TYR  59           H        TYR  59  -7.182  -7.613  -0.464
  474    HA   TYR  59           HA       TYR  59  -5.725  -9.727  -1.918
  475    HB2  TYR  59           1HB      TYR  59  -5.083  -8.146   0.580
  476    HB3  TYR  59           2HB      TYR  59  -4.139  -9.542   0.058
  477    HD1  TYR  59           HD1      TYR  59  -3.119  -9.527  -2.265
  478    HD2  TYR  59           HD2      TYR  59  -4.772  -6.021  -0.423
  479    HE1  TYR  59           HE1      TYR  59  -1.865  -8.102  -3.862
  480    HE2  TYR  59           HE2      TYR  59  -3.515  -4.607  -2.008
  481    HH   TYR  59           HH       TYR  59  -1.360  -6.028  -4.464
  482    H    ASN  60           H        ASN  60  -8.433  -9.795  -0.340
  483    HA   ASN  60           HA       ASN  60  -9.566 -11.210   1.017
  484    HB2  ASN  60           1HB      ASN  60  -7.526 -13.159  -0.063
  485    HB3  ASN  60           2HB      ASN  60  -9.033 -13.599   0.738
  486   HD21  ASN  60          1HD2      ASN  60  -7.842 -13.550  -2.268
  487   HD22  ASN  60          2HD2      ASN  60  -9.206 -13.055  -3.148
  488    H    ILE  61           H        ILE  61  -7.662  -9.701   2.429
  489    HA   ILE  61           HA       ILE  61  -6.302 -11.513   4.266
  490    HB   ILE  61           HB       ILE  61  -6.634  -8.491   4.242
  491   HG12  ILE  61          1HG1      ILE  61  -4.231 -10.259   3.693
  492   HG13  ILE  61          2HG1      ILE  61  -5.242  -9.545   2.441
  493   HG21  ILE  61          1HG2      ILE  61  -4.858 -10.209   6.000
  494   HG22  ILE  61          2HG2      ILE  61  -6.325  -9.406   6.556
  495   HG23  ILE  61          3HG2      ILE  61  -4.947  -8.450   6.017
  496   HD11  ILE  61          3HD1      ILE  61  -3.712  -7.987   4.543
  497   HD12  ILE  61          1HD1      ILE  61  -4.684  -7.292   3.245
  498   HD13  ILE  61          2HD1      ILE  61  -3.212  -8.187   2.864
  499    H    GLN  62           H        GLN  62  -7.290 -12.457   5.895
  500    HA   GLN  62           HA       GLN  62  -9.934 -11.472   6.757
  501    HB2  GLN  62           1HB      GLN  62  -8.628 -14.200   6.790
  502    HB3  GLN  62           2HB      GLN  62 -10.158 -13.861   7.601
  503    HG2  GLN  62           1HG      GLN  62 -11.143 -13.123   5.478
  504    HG3  GLN  62           2HG      GLN  62  -9.610 -13.401   4.655
  505   HE21  GLN  62          1HE2      GLN  62  -9.333 -15.452   3.763
  506   HE22  GLN  62          2HE2      GLN  62 -10.262 -16.814   4.163
  507    H    LYS  63           H        LYS  63 -10.523 -12.040   9.034
  508    HA   LYS  63           HA       LYS  63  -8.983 -10.606  10.812
  509    HB2  LYS  63           1HB      LYS  63 -10.175 -11.740  12.667
  510    HB3  LYS  63           2HB      LYS  63 -11.262 -11.147  11.406
  511    HG2  LYS  63           1HG      LYS  63 -11.230 -13.427  10.378
  512    HG3  LYS  63           2HG      LYS  63 -10.291 -13.993  11.759
  513    HD2  LYS  63           1HD      LYS  63 -12.107 -13.304  13.281
  514    HD3  LYS  63           2HD      LYS  63 -13.048 -12.736  11.901
  515    HE2  LYS  63           1HE      LYS  63 -13.215 -14.967  11.001
  516    HE3  LYS  63           2HE      LYS  63 -12.067 -15.587  12.186
  517    HZ1  LYS  63           3HZ      LYS  63 -13.717 -14.765  13.905
  518    HZ2  LYS  63           1HZ      LYS  63 -14.155 -16.146  13.023
  519    HZ3  LYS  63           2HZ      LYS  63 -14.830 -14.638  12.629
  520    H    GLU  64           H        GLU  64  -7.435 -10.978  12.261
  521    HA   GLU  64           HA       GLU  64  -5.584 -11.886  13.231
  522    HB2  GLU  64           1HB      GLU  64  -6.958 -14.532  12.753
  523    HB3  GLU  64           2HB      GLU  64  -5.492 -14.320  13.696
  524    HG2  GLU  64           1HG      GLU  64  -6.738 -12.672  15.130
  525    HG3  GLU  64           2HG      GLU  64  -8.227 -13.170  14.308
  526    H    SER  65           H        SER  65  -5.754 -11.523  10.293
  527    HA   SER  65           HA       SER  65  -3.852 -13.448   9.227
  528    HB2  SER  65           1HB      SER  65  -4.931 -10.805   8.241
  529    HB3  SER  65           2HB      SER  65  -3.705 -11.718   7.367
  530    HG   SER  65           HG       SER  65  -5.847 -12.210   6.678
  531    H    THR  66           H        THR  66  -1.639 -13.051   8.856
  532    HA   THR  66           HA       THR  66  -0.471 -10.873  10.501
  533    HB   THR  66           HB       THR  66   0.735 -13.544   9.710
  534    HG1  THR  66           HG1      THR  66   0.575 -13.838  12.029
  535   HG21  THR  66          1HG2      THR  66   2.498 -11.952   9.903
  536   HG22  THR  66          2HG2      THR  66   2.454 -12.792  11.453
  537   HG23  THR  66          3HG2      THR  66   1.749 -11.183  11.301
  538    H    LEU  67           H        LEU  67   0.518  -9.334   9.413
  539    HA   LEU  67           HA       LEU  67   1.372  -9.794   6.614
  540    HB2  LEU  67           1HB      LEU  67   1.041  -7.145   8.037
  541    HB3  LEU  67           2HB      LEU  67   1.313  -7.409   6.323
  542    HG   LEU  67           HG       LEU  67  -0.959  -8.818   6.522
  543   HD11  LEU  67          1HD1      LEU  67  -1.352  -8.665   8.860
  544   HD12  LEU  67          2HD1      LEU  67  -2.510  -7.593   8.081
  545   HD13  LEU  67          3HD1      LEU  67  -1.081  -6.923   8.864
  546   HD21  LEU  67          3HD2      LEU  67  -0.691  -6.898   5.059
  547   HD22  LEU  67          1HD2      LEU  67  -0.791  -5.797   6.436
  548   HD23  LEU  67          2HD2      LEU  67  -2.203  -6.739   5.954
  549    H    HIS  68           H        HIS  68   3.443  -8.887   6.027
  550    HA   HIS  68           HA       HIS  68   5.358  -8.795   8.283
  551    HB2  HIS  68           1HB      HIS  68   5.692  -9.669   5.401
  552    HB3  HIS  68           2HB      HIS  68   7.041  -9.443   6.509
  553    HD1  HIS  68           HD1      HIS  68   4.117 -11.675   5.796
  554    HD2  HIS  68           HD2      HIS  68   7.228 -11.437   8.562
  555    HE1  HIS  68           HE1      HIS  68   4.131 -13.874   7.046
  556    H    LEU  69           H        LEU  69   6.565  -6.994   8.513
  557    HA   LEU  69           HA       LEU  69   6.217  -4.819   6.531
  558    HB2  LEU  69           1HB      LEU  69   5.486  -4.324   8.863
  559    HB3  LEU  69           2HB      LEU  69   7.095  -4.726   9.439
  560    HG   LEU  69           HG       LEU  69   7.959  -2.872   7.904
  561   HD11  LEU  69          1HD1      LEU  69   6.209  -1.101   7.454
  562   HD12  LEU  69          2HD1      LEU  69   4.992  -2.318   7.799
  563   HD13  LEU  69          3HD1      LEU  69   6.093  -2.528   6.435
  564   HD21  LEU  69          3HD2      LEU  69   6.066  -2.057  10.118
  565   HD22  LEU  69          1HD2      LEU  69   7.454  -1.139   9.535
  566   HD23  LEU  69          2HD2      LEU  69   7.701  -2.669  10.376
  567    H    VAL  70           H        VAL  70   7.946  -4.093   5.424
  568    HA   VAL  70           HA       VAL  70  10.645  -4.962   6.185
  569    HB   VAL  70           HB       VAL  70   9.195  -4.935   3.586
  570   HG11  VAL  70          1HG1      VAL  70  11.450  -5.086   2.407
  571   HG12  VAL  70          2HG1      VAL  70  12.179  -4.503   3.902
  572   HG13  VAL  70          3HG1      VAL  70  11.052  -3.480   3.014
  573   HG21  VAL  70          3HG2      VAL  70   9.603  -6.999   4.908
  574   HG22  VAL  70          1HG2      VAL  70  11.326  -6.787   4.593
  575   HG23  VAL  70          2HG2      VAL  70  10.208  -7.048   3.253
  576    H    LEU  71           H        LEU  71  12.218  -3.444   6.020
  577    HA   LEU  71           HA       LEU  71  11.305  -0.636   5.741
  578    HB2  LEU  71           1HB      LEU  71  13.753  -1.639   7.208
  579    HB3  LEU  71           2HB      LEU  71  13.047  -0.024   7.272
  580    HG   LEU  71           HG       LEU  71  11.711  -2.573   8.237
  581   HD11  LEU  71          1HD1      LEU  71  13.583  -1.780   9.668
  582   HD12  LEU  71          2HD1      LEU  71  12.022  -1.619  10.474
  583   HD13  LEU  71          3HD1      LEU  71  12.807  -0.199   9.777
  584   HD21  LEU  71          3HD2      LEU  71  10.814   0.307   8.040
  585   HD22  LEU  71          1HD2      LEU  71  10.132  -0.766   9.262
  586   HD23  LEU  71          2HD2      LEU  71   9.950  -1.152   7.553
  587    H    ARG  72           H        ARG  72  12.340   0.741   4.418
  588    HA   ARG  72           HA       ARG  72  14.554  -0.331   2.747
  589    HB2  ARG  72           1HB      ARG  72  12.459  -0.066   1.485
  590    HB3  ARG  72           2HB      ARG  72  12.357   1.617   1.998
  591    HG2  ARG  72           1HG      ARG  72  14.406   2.163   0.822
  592    HG3  ARG  72           2HG      ARG  72  14.682   0.464   0.435
  593    HD2  ARG  72           1HD      ARG  72  12.750   0.390  -0.987
  594    HD3  ARG  72           2HD      ARG  72  12.217   1.979  -0.441
  595    HE   ARG  72           HE       ARG  72  14.799   1.718  -1.859
  596   HH11  ARG  72          1HH1      ARG  72  12.721   4.088  -1.056
  597   HH12  ARG  72          2HH1      ARG  72  12.369   4.650  -2.655
  598   HH21  ARG  72          1HH2      ARG  72  13.834   1.926  -4.221
  599   HH22  ARG  72          2HH2      ARG  72  13.000   3.426  -4.448
  600    H1   MET   1           1H       MET   1  32.111   2.411 -13.902
  601    H2   MET   1           2H       MET   1  33.732   2.041 -13.556
  602    H3   MET   1           3H       MET   1  32.633   2.315 -12.291
  603    HA   MET   1           HA       MET   1  32.254   0.120 -14.235
  604    HB2  MET   1           1HB      MET   1  33.303  -1.361 -12.532
  605    HB3  MET   1           2HB      MET   1  34.449  -0.205 -13.201
  606    HG2  MET   1           1HG      MET   1  34.036   1.280 -11.241
  607    HG3  MET   1           2HG      MET   1  33.000   0.029 -10.553
  608    HE1  MET   1           3HE      MET   1  33.923  -1.327  -8.702
  609    HE2  MET   1           1HE      MET   1  34.514   0.325  -8.467
  610    HE3  MET   1           2HE      MET   1  35.582  -1.047  -8.179
  611    H    GLN   2           H        GLN   2  30.743  -1.437 -13.417
  612    HA   GLN   2           HA       GLN   2  28.763  -0.243 -11.599
  613    HB2  GLN   2           1HB      GLN   2  28.646  -2.613 -13.472
  614    HB3  GLN   2           2HB      GLN   2  27.341  -2.180 -12.368
  615    HG2  GLN   2           1HG      GLN   2  28.490  -0.280 -14.424
  616    HG3  GLN   2           2HG      GLN   2  27.062  -1.277 -14.699
  617   HE21  GLN   2          1HE2      GLN   2  26.938   1.594 -14.708
  618   HE22  GLN   2          2HE2      GLN   2  25.988   2.067 -13.386
  619    H    ILE   3           H        ILE   3  28.125  -1.167  -9.726
  620    HA   ILE   3           HA       ILE   3  29.380  -3.681  -8.842
  621    HB   ILE   3           HB       ILE   3  29.744  -2.762  -6.622
  622   HG12  ILE   3          1HG1      ILE   3  29.047  -0.040  -7.769
  623   HG13  ILE   3          2HG1      ILE   3  27.905  -0.992  -6.825
  624   HG21  ILE   3          1HG2      ILE   3  31.563  -2.632  -8.264
  625   HG22  ILE   3          2HG2      ILE   3  31.616  -1.246  -7.176
  626   HG23  ILE   3          3HG2      ILE   3  30.976  -1.062  -8.810
  627   HD11  ILE   3          3HD1      ILE   3  30.654  -0.439  -5.735
  628   HD12  ILE   3          1HD1      ILE   3  29.167  -0.819  -4.867
  629   HD13  ILE   3          2HD1      ILE   3  29.378   0.771  -5.594
  630    H    PHE   4           H        PHE   4  28.135  -4.587  -6.913
  631    HA   PHE   4           HA       PHE   4  25.260  -3.905  -7.125
  632    HB2  PHE   4           1HB      PHE   4  26.484  -6.657  -6.861
  633    HB3  PHE   4           2HB      PHE   4  24.767  -6.304  -6.820
  634    HD1  PHE   4           HD1      PHE   4  23.676  -5.239  -8.847
  635    HD2  PHE   4           HD2      PHE   4  27.658  -6.842  -8.927
  636    HE1  PHE   4           HE1      PHE   4  23.590  -5.327 -11.323
  637    HE2  PHE   4           HE2      PHE   4  27.572  -6.929 -11.406
  638    HZ   PHE   4           HZ       PHE   4  25.538  -6.171 -12.603
  639    H    VAL   5           H        VAL   5  24.112  -3.798  -5.241
  640    HA   VAL   5           HA       VAL   5  25.514  -4.509  -2.721
  641    HB   VAL   5           HB       VAL   5  23.578  -2.205  -3.101
  642   HG11  VAL   5          1HG1      VAL   5  23.509  -3.164  -0.853
  643   HG12  VAL   5          2HG1      VAL   5  24.385  -1.636  -0.787
  644   HG13  VAL   5          3HG1      VAL   5  25.271  -3.160  -0.763
  645   HG21  VAL   5          3HG2      VAL   5  25.530  -0.752  -2.813
  646   HG22  VAL   5          1HG2      VAL   5  25.806  -1.819  -4.189
  647   HG23  VAL   5          2HG2      VAL   5  26.586  -2.155  -2.644
  648    H    LYS   6           H        LYS   6  24.449  -6.051  -1.625
  649    HA   LYS   6           HA       LYS   6  21.621  -6.578  -2.303
  650    HB2  LYS   6           1HB      LYS   6  23.872  -8.266  -1.294
  651    HB3  LYS   6           2HB      LYS   6  22.233  -8.694  -0.791
  652    HG2  LYS   6           1HG      LYS   6  21.537  -8.755  -3.167
  653    HG3  LYS   6           2HG      LYS   6  23.177  -8.332  -3.667
  654    HD2  LYS   6           1HD      LYS   6  24.029 -10.377  -2.610
  655    HD3  LYS   6           2HD      LYS   6  22.391 -10.796  -2.108
  656    HE2  LYS   6           1HE      LYS   6  23.123 -11.961  -4.215
  657    HE3  LYS   6           2HE      LYS   6  21.672 -10.979  -4.420
  658    HZ1  LYS   6           3HZ      LYS   6  24.314  -9.790  -4.911
  659    HZ2  LYS   6           1HZ      LYS   6  22.809  -9.375  -5.574
  660    HZ3  LYS   6           2HZ      LYS   6  23.610 -10.778  -6.100
  661    H    THR   7           H        THR   7  20.012  -6.591  -0.794
  662    HA   THR   7           HA       THR   7  20.664  -5.317   1.777
  663    HB   THR   7           HB       THR   7  18.389  -4.602   1.884
  664    HG1  THR   7           HG1      THR   7  16.840  -5.387   0.561
  665   HG21  THR   7          1HG2      THR   7  19.706  -3.200   0.459
  666   HG22  THR   7          2HG2      THR   7  18.121  -3.391  -0.291
  667   HG23  THR   7          3HG2      THR   7  19.501  -4.302  -0.903
  668    H    LEU   8           H        LEU   8  19.319  -5.907   3.589
  669    HA   LEU   8           HA       LEU   8  19.595  -8.665   4.224
  670    HB2  LEU   8           1HB      LEU   8  17.894  -6.565   5.588
  671    HB3  LEU   8           2HB      LEU   8  18.368  -8.115   6.280
  672    HG   LEU   8           HG       LEU   8  20.286  -5.965   5.372
  673   HD11  LEU   8          1HD1      LEU   8  19.551  -6.804   8.189
  674   HD12  LEU   8          2HD1      LEU   8  18.904  -5.375   7.384
  675   HD13  LEU   8          3HD1      LEU   8  20.631  -5.490   7.726
  676   HD21  LEU   8          3HD2      LEU   8  20.618  -8.720   6.550
  677   HD22  LEU   8          1HD2      LEU   8  21.812  -7.477   6.921
  678   HD23  LEU   8          2HD2      LEU   8  21.530  -7.950   5.251
  679    H    THR   9           H        THR   9  17.052  -6.961   2.600
  680    HA   THR   9           HA       THR   9  15.117  -9.090   3.195
  681    HB   THR   9           HB       THR   9  13.447  -7.674   2.156
  682    HG1  THR   9           HG1      THR   9  14.592  -6.796   0.488
  683   HG21  THR   9          1HG2      THR   9  13.955  -7.116   4.463
  684   HG22  THR   9          2HG2      THR   9  13.707  -5.614   3.573
  685   HG23  THR   9          3HG2      THR   9  15.342  -6.148   3.964
  686    H    GLY  10           H        GLY  10  17.542  -8.797   1.069
  687    HA2  GLY  10           1HA      GLY  10  17.985 -10.441  -0.562
  688    HA3  GLY  10           2HA      GLY  10  16.262 -10.758  -0.688
  689    H    LYS  11           H        LYS  11  17.088  -7.433  -0.801
  690    HA   LYS  11           HA       LYS  11  16.383  -7.376  -3.641
  691    HB2  LYS  11           1HB      LYS  11  15.388  -5.761  -1.966
  692    HB3  LYS  11           2HB      LYS  11  16.979  -5.033  -1.827
  693    HG2  LYS  11           1HG      LYS  11  16.997  -4.558  -4.246
  694    HG3  LYS  11           2HG      LYS  11  15.400  -5.291  -4.403
  695    HD2  LYS  11           1HD      LYS  11  14.476  -3.617  -2.839
  696    HD3  LYS  11           2HD      LYS  11  16.072  -2.877  -2.691
  697    HE2  LYS  11           1HE      LYS  11  14.718  -1.639  -4.322
  698    HE3  LYS  11           2HE      LYS  11  16.073  -2.428  -5.129
  699    HZ1  LYS  11           3HZ      LYS  11  13.693  -2.645  -6.096
  700    HZ2  LYS  11           1HZ      LYS  11  13.502  -3.834  -4.901
  701    HZ3  LYS  11           2HZ      LYS  11  14.720  -4.000  -6.074
  702    H    THR  12           H        THR  12  17.828  -6.564  -5.270
  703    HA   THR  12           HA       THR  12  20.639  -6.137  -4.369
  704    HB   THR  12           HB       THR  12  19.693  -7.327  -7.000
  705    HG1  THR  12           HG1      THR  12  20.815  -9.169  -6.085
  706   HG21  THR  12          1HG2      THR  12  22.174  -7.770  -7.241
  707   HG22  THR  12          2HG2      THR  12  22.433  -6.731  -5.841
  708   HG23  THR  12          3HG2      THR  12  21.735  -6.063  -7.315
  709    H    ILE  13           H        ILE  13  21.458  -4.159  -4.832
  710    HA   ILE  13           HA       ILE  13  20.033  -2.472  -6.825
  711    HB   ILE  13           HB       ILE  13  21.912  -1.335  -4.746
  712   HG12  ILE  13          1HG1      ILE  13  19.006  -2.103  -4.340
  713   HG13  ILE  13          2HG1      ILE  13  20.399  -2.676  -3.422
  714   HG21  ILE  13          1HG2      ILE  13  20.649   0.666  -5.102
  715   HG22  ILE  13          2HG2      ILE  13  19.364  -0.208  -5.936
  716   HG23  ILE  13          3HG2      ILE  13  20.940  -0.013  -6.703
  717   HD11  ILE  13          3HD1      ILE  13  19.375  -0.982  -2.081
  718   HD12  ILE  13          1HD1      ILE  13  19.237   0.117  -3.454
  719   HD13  ILE  13          2HD1      ILE  13  20.824  -0.253  -2.776
  720    H    THR  14           H        THR  14  21.175  -1.547  -8.483
  721    HA   THR  14           HA       THR  14  24.019  -2.318  -8.729
  722    HB   THR  14           HB       THR  14  22.050  -1.441 -10.869
  723    HG1  THR  14           HG1      THR  14  21.464  -3.446 -10.573
  724   HG21  THR  14          1HG2      THR  14  24.945  -2.284 -10.902
  725   HG22  THR  14          2HG2      THR  14  24.204  -0.852 -11.618
  726   HG23  THR  14          3HG2      THR  14  23.919  -2.438 -12.329
  727    H    LEU  15           H        LEU  15  25.546  -0.733  -8.741
  728    HA   LEU  15           HA       LEU  15  24.634   2.090  -8.956
  729    HB2  LEU  15           1HB      LEU  15  26.759   0.993  -7.103
  730    HB3  LEU  15           2HB      LEU  15  26.292   2.680  -7.251
  731    HG   LEU  15           HG       LEU  15  24.373   0.468  -6.460
  732   HD11  LEU  15          1HD1      LEU  15  24.629   1.389  -4.153
  733   HD12  LEU  15          2HD1      LEU  15  25.937   2.415  -4.739
  734   HD13  LEU  15          3HD1      LEU  15  26.115   0.661  -4.762
  735   HD21  LEU  15          3HD2      LEU  15  24.224   3.486  -6.595
  736   HD22  LEU  15          1HD2      LEU  15  23.168   2.579  -5.514
  737   HD23  LEU  15          2HD2      LEU  15  23.097   2.300  -7.251
  738    H    GLU  16           H        GLU  16  26.109   3.546  -9.906
  739    HA   GLU  16           HA       GLU  16  28.265   2.259 -11.483
  740    HB2  GLU  16           1HB      GLU  16  26.615   3.592 -12.805
  741    HB3  GLU  16           2HB      GLU  16  26.992   5.005 -11.826
  742    HG2  GLU  16           1HG      GLU  16  29.343   4.902 -12.571
  743    HG3  GLU  16           2HG      GLU  16  28.968   3.485 -13.551
  744    H    VAL  17           H        VAL  17  30.285   2.533 -10.716
  745    HA   VAL  17           HA       VAL  17  30.909   4.941  -9.121
  746    HB   VAL  17           HB       VAL  17  32.096   3.529  -7.475
  747   HG11  VAL  17          1HG1      VAL  17  30.162   2.889  -6.247
  748   HG12  VAL  17          2HG1      VAL  17  29.234   2.591  -7.716
  749   HG13  VAL  17          3HG1      VAL  17  29.640   4.242  -7.250
  750   HG21  VAL  17          3HG2      VAL  17  32.556   1.584  -8.849
  751   HG22  VAL  17          1HG2      VAL  17  30.832   1.294  -9.090
  752   HG23  VAL  17          2HG2      VAL  17  31.549   1.073  -7.495
  753    H    GLU  18           H        GLU  18  33.224   5.116  -8.668
  754    HA   GLU  18           HA       GLU  18  34.894   4.056 -10.869
  755    HB2  GLU  18           1HB      GLU  18  35.011   6.749  -9.468
  756    HB3  GLU  18           2HB      GLU  18  36.260   6.157 -10.560
  757    HG2  GLU  18           1HG      GLU  18  33.362   6.293 -11.406
  758    HG3  GLU  18           2HG      GLU  18  34.429   7.687 -11.557
  759    HA   PRO  19           HA       PRO  19  37.193   2.202  -7.566
  760    HB2  PRO  19           1HB      PRO  19  39.793   3.044  -8.758
  761    HB3  PRO  19           2HB      PRO  19  39.204   1.415  -8.357
  762    HG2  PRO  19           1HG      PRO  19  39.319   2.260 -10.908
  763    HG3  PRO  19           2HG      PRO  19  38.016   1.214 -10.323
  764    HD2  PRO  19           1HD      PRO  19  37.924   4.186 -10.855
  765    HD3  PRO  19           2HD      PRO  19  36.707   2.922 -11.178
  766    H    SER  20           H        SER  20  37.893   5.500  -8.460
  767    HA   SER  20           HA       SER  20  39.341   6.087  -6.011
  768    HB2  SER  20           1HB      SER  20  39.248   8.444  -6.901
  769    HB3  SER  20           2HB      SER  20  40.074   7.278  -7.929
  770    HG   SER  20           HG       SER  20  37.317   7.715  -8.243
  771    H    ASP  21           H        ASP  21  36.089   5.635  -6.611
  772    HA   ASP  21           HA       ASP  21  35.017   7.891  -5.203
  773    HB2  ASP  21           1HB      ASP  21  33.945   5.178  -5.979
  774    HB3  ASP  21           2HB      ASP  21  33.012   6.270  -4.956
  775    H    THR  22           H        THR  22  34.489   8.053  -3.096
  776    HA   THR  22           HA       THR  22  35.894   6.332  -1.231
  777    HB   THR  22           HB       THR  22  35.198   7.913   0.461
  778    HG1  THR  22           HG1      THR  22  33.631   8.860  -1.666
  779   HG21  THR  22          1HG2      THR  22  37.210   8.503  -0.745
  780   HG22  THR  22          2HG2      THR  22  36.279   9.972  -0.449
  781   HG23  THR  22          3HG2      THR  22  36.262   9.224  -2.047
  782    H    ILE  23           H        ILE  23  34.848   5.390   0.585
  783    HA   ILE  23           HA       ILE  23  32.466   3.962  -0.024
  784    HB   ILE  23           HB       ILE  23  33.902   4.474   2.573
  785   HG12  ILE  23          1HG1      ILE  23  35.248   3.257   0.980
  786   HG13  ILE  23          2HG1      ILE  23  34.747   2.161   2.251
  787   HG21  ILE  23          1HG2      ILE  23  31.671   3.889   3.177
  788   HG22  ILE  23          2HG2      ILE  23  32.633   2.422   3.353
  789   HG23  ILE  23          3HG2      ILE  23  31.600   2.633   1.941
  790   HD11  ILE  23          3HD1      ILE  23  34.321   0.883   0.366
  791   HD12  ILE  23          1HD1      ILE  23  33.858   2.275  -0.599
  792   HD13  ILE  23          2HD1      ILE  23  32.745   1.636   0.610
  793    H    GLU  24           H        GLU  24  33.062   6.929   1.827
  794    HA   GLU  24           HA       GLU  24  30.431   7.256   2.811
  795    HB2  GLU  24           1HB      GLU  24  32.345   8.627   3.602
  796    HB3  GLU  24           2HB      GLU  24  32.440   9.396   2.021
  797    HG2  GLU  24           1HG      GLU  24  30.165  10.290   2.299
  798    HG3  GLU  24           2HG      GLU  24  30.035   9.493   3.866
  799    H    ASN  25           H        ASN  25  31.980   8.095  -0.258
  800    HA   ASN  25           HA       ASN  25  29.771   9.568  -1.309
  801    HB2  ASN  25           1HB      ASN  25  32.011   8.078  -2.688
  802    HB3  ASN  25           2HB      ASN  25  30.805   9.044  -3.544
  803   HD21  ASN  25          1HD2      ASN  25  32.602  10.513  -4.215
  804   HD22  ASN  25          2HD2      ASN  25  33.210  11.652  -3.116
  805    H    VAL  26           H        VAL  26  30.695   6.150  -1.397
  806    HA   VAL  26           HA       VAL  26  28.594   5.292  -3.128
  807    HB   VAL  26           HB       VAL  26  30.140   3.794  -0.987
  808   HG11  VAL  26          1HG1      VAL  26  29.314   1.769  -2.306
  809   HG12  VAL  26          2HG1      VAL  26  28.137   2.855  -3.047
  810   HG13  VAL  26          3HG1      VAL  26  28.113   2.583  -1.305
  811   HG21  VAL  26          3HG2      VAL  26  31.350   4.732  -3.049
  812   HG22  VAL  26          1HG2      VAL  26  30.405   3.580  -3.991
  813   HG23  VAL  26          2HG2      VAL  26  31.521   3.003  -2.753
  814    H    LYS  27           H        LYS  27  28.759   5.574   0.428
  815    HA   LYS  27           HA       LYS  27  26.224   4.487   0.982
  816    HB2  LYS  27           1HB      LYS  27  27.765   6.683   2.389
  817    HB3  LYS  27           2HB      LYS  27  26.278   5.971   2.996
  818    HG2  LYS  27           1HG      LYS  27  27.741   3.686   2.643
  819    HG3  LYS  27           2HG      LYS  27  29.048   4.842   3.008
  820    HD2  LYS  27           1HD      LYS  27  27.545   5.603   4.956
  821    HD3  LYS  27           2HD      LYS  27  26.710   4.077   4.703
  822    HE2  LYS  27           1HE      LYS  27  29.692   4.350   5.173
  823    HE3  LYS  27           2HE      LYS  27  28.516   3.892   6.404
  824    HZ1  LYS  27           3HZ      LYS  27  28.021   1.912   5.301
  825    HZ2  LYS  27           1HZ      LYS  27  29.710   2.027   5.204
  826    HZ3  LYS  27           2HZ      LYS  27  28.756   2.415   3.854
  827    H    ALA  28           H        ALA  28  27.297   7.748   0.108
  828    HA   ALA  28           HA       ALA  28  24.831   9.052   0.497
  829    HB1  ALA  28           3HB      ALA  28  27.027   9.778  -1.455
  830    HB2  ALA  28           1HB      ALA  28  26.967  10.262   0.239
  831    HB3  ALA  28           2HB      ALA  28  25.743  10.846  -0.889
  832    H    LYS  29           H        LYS  29  26.166   7.315  -2.264
  833    HA   LYS  29           HA       LYS  29  24.122   8.030  -4.108
  834    HB2  LYS  29           1HB      LYS  29  25.998   5.656  -3.978
  835    HB3  LYS  29           2HB      LYS  29  24.886   5.939  -5.315
  836    HG2  LYS  29           1HG      LYS  29  25.929   8.141  -5.723
  837    HG3  LYS  29           2HG      LYS  29  27.044   7.859  -4.384
  838    HD2  LYS  29           1HD      LYS  29  27.925   5.860  -5.534
  839    HD3  LYS  29           2HD      LYS  29  26.818   6.142  -6.875
  840    HE2  LYS  29           1HE      LYS  29  28.557   8.453  -6.135
  841    HE3  LYS  29           2HE      LYS  29  29.370   7.068  -6.860
  842    HZ1  LYS  29           3HZ      LYS  29  27.109   8.624  -7.983
  843    HZ2  LYS  29           1HZ      LYS  29  27.634   7.148  -8.632
  844    HZ3  LYS  29           2HZ      LYS  29  28.683   8.484  -8.605
  845    H    ILE  30           H        ILE  30  24.494   5.391  -1.760
  846    HA   ILE  30           HA       ILE  30  22.113   3.955  -2.465
  847    HB   ILE  30           HB       ILE  30  23.767   4.037   0.066
  848   HG12  ILE  30          1HG1      ILE  30  23.423   2.030  -2.192
  849   HG13  ILE  30          2HG1      ILE  30  24.825   3.070  -1.931
  850   HG21  ILE  30          1HG2      ILE  30  21.520   3.441   0.747
  851   HG22  ILE  30          2HG2      ILE  30  22.416   1.934   0.625
  852   HG23  ILE  30          3HG2      ILE  30  21.310   2.403  -0.662
  853   HD11  ILE  30          3HD1      ILE  30  25.520   1.050  -0.980
  854   HD12  ILE  30          1HD1      ILE  30  23.914   0.676  -0.358
  855   HD13  ILE  30          2HD1      ILE  30  24.899   1.915   0.424
  856    H    GLN  31           H        GLN  31  22.763   6.624  -0.192
  857    HA   GLN  31           HA       GLN  31  20.240   6.681   1.052
  858    HB2  GLN  31           1HB      GLN  31  22.171   7.993   1.847
  859    HB3  GLN  31           2HB      GLN  31  22.134   8.956   0.370
  860    HG2  GLN  31           1HG      GLN  31  19.888   9.788   0.968
  861    HG3  GLN  31           2HG      GLN  31  19.900   8.791   2.422
  862   HE21  GLN  31          1HE2      GLN  31  19.570  11.291   3.160
  863   HE22  GLN  31          2HE2      GLN  31  21.008  12.057   3.634
  864    H    ASP  32           H        ASP  32  21.482   8.247  -1.838
  865    HA   ASP  32           HA       ASP  32  19.206   9.767  -2.476
  866    HB2  ASP  32           1HB      ASP  32  21.405  10.077  -3.547
  867    HB3  ASP  32           2HB      ASP  32  21.221   8.529  -4.369
  868    H    LYS  33           H        LYS  33  20.073   6.440  -3.329
  869    HA   LYS  33           HA       LYS  33  17.739   6.073  -4.982
  870    HB2  LYS  33           1HB      LYS  33  19.663   4.032  -3.894
  871    HB3  LYS  33           2HB      LYS  33  18.534   3.776  -5.219
  872    HG2  LYS  33           1HG      LYS  33  19.952   6.051  -6.048
  873    HG3  LYS  33           2HG      LYS  33  21.188   5.051  -5.291
  874    HD2  LYS  33           1HD      LYS  33  20.433   3.124  -6.691
  875    HD3  LYS  33           2HD      LYS  33  19.310   4.212  -7.510
  876    HE2  LYS  33           1HE      LYS  33  21.182   5.620  -8.247
  877    HE3  LYS  33           2HE      LYS  33  22.318   4.579  -7.389
  878    HZ1  LYS  33           3HZ      LYS  33  22.033   4.147  -9.842
  879    HZ2  LYS  33           1HZ      LYS  33  20.489   3.550  -9.475
  880    HZ3  LYS  33           2HZ      LYS  33  21.866   2.798  -8.823
  881    H    GLU  34           H        GLU  34  18.627   4.960  -1.692
  882    HA   GLU  34           HA       GLU  34  15.965   3.662  -1.518
  883    HB2  GLU  34           1HB      GLU  34  18.555   3.174  -0.064
  884    HB3  GLU  34           2HB      GLU  34  17.034   2.368   0.333
  885    HG2  GLU  34           1HG      GLU  34  18.232   2.451  -2.430
  886    HG3  GLU  34           2HG      GLU  34  18.564   1.106  -1.314
  887    H    GLY  35           H        GLY  35  17.625   6.345  -0.144
  888    HA2  GLY  35           1HA      GLY  35  16.710   7.944   1.265
  889    HA3  GLY  35           2HA      GLY  35  15.324   6.893   1.539
  890    H    ILE  36           H        ILE  36  18.245   5.275   2.034
  891    HA   ILE  36           HA       ILE  36  17.779   5.153   4.906
  892    HB   ILE  36           HB       ILE  36  19.976   3.868   3.287
  893   HG12  ILE  36          1HG1      ILE  36  17.438   2.441   4.100
  894   HG13  ILE  36          2HG1      ILE  36  17.446   3.396   2.623
  895   HG21  ILE  36          1HG2      ILE  36  18.689   2.938   5.866
  896   HG22  ILE  36          2HG2      ILE  36  20.102   3.989   5.856
  897   HG23  ILE  36          3HG2      ILE  36  20.193   2.379   5.146
  898   HD11  ILE  36          3HD1      ILE  36  19.336   1.121   3.281
  899   HD12  ILE  36          1HD1      ILE  36  19.432   2.121   1.832
  900   HD13  ILE  36          2HD1      ILE  36  18.028   1.087   2.098
  901    HA   PRO  37           HA       PRO  37  20.769   8.548   5.341
  902    HB2  PRO  37           1HB      PRO  37  20.708   7.896   8.251
  903    HB3  PRO  37           2HB      PRO  37  20.409   9.451   7.450
  904    HG2  PRO  37           1HG      PRO  37  18.416   7.991   8.500
  905    HG3  PRO  37           2HG      PRO  37  18.200   8.962   7.034
  906    HD2  PRO  37           1HD      PRO  37  18.524   5.981   7.273
  907    HD3  PRO  37           2HD      PRO  37  17.532   6.944   6.149
  908    HA   PRO  38           HA       PRO  38  24.528   6.100   5.172
  909    HB2  PRO  38           1HB      PRO  38  25.827   8.631   6.183
  910    HB3  PRO  38           2HB      PRO  38  26.288   7.624   4.798
  911    HG2  PRO  38           1HG      PRO  38  25.036   9.943   4.452
  912    HG3  PRO  38           2HG      PRO  38  24.677   8.538   3.427
  913    HD2  PRO  38           1HD      PRO  38  23.029   9.726   5.627
  914    HD3  PRO  38           2HD      PRO  38  22.529   8.883   4.141
  915    H    ASP  39           H        ASP  39  23.853   7.966   8.117
  916    HA   ASP  39           HA       ASP  39  25.875   6.643   9.620
  917    HB2  ASP  39           1HB      ASP  39  23.458   8.235  10.470
  918    HB3  ASP  39           2HB      ASP  39  24.623   7.510  11.608
  919    H    GLN  40           H        GLN  40  22.813   5.583   8.552
  920    HA   GLN  40           HA       GLN  40  22.611   3.564  10.698
  921    HB2  GLN  40           1HB      GLN  40  20.669   4.433   8.552
  922    HB3  GLN  40           2HB      GLN  40  20.385   3.063   9.624
  923    HG2  GLN  40           1HG      GLN  40  20.667   4.549  11.573
  924    HG3  GLN  40           2HG      GLN  40  20.841   5.928  10.493
  925   HE21  GLN  40          1HE2      GLN  40  18.647   5.415  12.479
  926   HE22  GLN  40          2HE2      GLN  40  17.210   5.427  11.573
  927    H    GLN  41           H        GLN  41  24.150   3.823   7.846
  928    HA   GLN  41           HA       GLN  41  23.563   1.052   6.961
  929    HB2  GLN  41           1HB      GLN  41  24.718   3.456   5.586
  930    HB3  GLN  41           2HB      GLN  41  24.844   1.845   4.887
  931    HG2  GLN  41           1HG      GLN  41  22.366   1.645   5.027
  932    HG3  GLN  41           2HG      GLN  41  22.299   3.308   5.625
  933   HE21  GLN  41          1HE2      GLN  41  21.997   4.856   4.043
  934   HE22  GLN  41          2HE2      GLN  41  22.414   4.668   2.408
  935    H    ARG  42           H        ARG  42  25.028  -0.493   6.841
  936    HA   ARG  42           HA       ARG  42  27.867   0.083   7.424
  937    HB2  ARG  42           1HB      ARG  42  26.171  -2.168   8.485
  938    HB3  ARG  42           2HB      ARG  42  27.929  -2.237   8.474
  939    HG2  ARG  42           1HG      ARG  42  27.989  -0.172   9.832
  940    HG3  ARG  42           2HG      ARG  42  26.223  -0.141   9.841
  941    HD2  ARG  42           1HD      ARG  42  26.182  -2.341  10.947
  942    HD3  ARG  42           2HD      ARG  42  27.943  -2.384  10.936
  943    HE   ARG  42           HE       ARG  42  26.795  -0.066  12.263
  944   HH11  ARG  42          1HH1      ARG  42  27.654  -3.399  12.573
  945   HH12  ARG  42          2HH1      ARG  42  28.104  -3.274  14.241
  946   HH21  ARG  42          1HH2      ARG  42  27.496   0.134  14.426
  947   HH22  ARG  42          2HH2      ARG  42  28.012  -1.275  15.290
  948    H    LEU  43           H        LEU  43  29.133  -0.555   5.757
  949    HA   LEU  43           HA       LEU  43  28.008  -2.455   3.785
  950    HB2  LEU  43           1HB      LEU  43  30.133  -0.306   3.547
  951    HB3  LEU  43           2HB      LEU  43  29.764  -1.495   2.296
  952    HG   LEU  43           HG       LEU  43  27.697   0.400   3.464
  953   HD11  LEU  43          1HD1      LEU  43  28.004   1.676   1.341
  954   HD12  LEU  43          2HD1      LEU  43  29.369   0.634   0.941
  955   HD13  LEU  43          3HD1      LEU  43  29.453   1.694   2.347
  956   HD21  LEU  43          3HD2      LEU  43  27.762  -1.564   1.157
  957   HD22  LEU  43          1HD2      LEU  43  26.645  -0.203   1.144
  958   HD23  LEU  43          2HD2      LEU  43  26.551  -1.403   2.424
  959    H    ILE  44           H        ILE  44  28.849  -4.359   3.485
  960    HA   ILE  44           HA       ILE  44  31.517  -4.980   4.624
  961    HB   ILE  44           HB       ILE  44  28.916  -6.504   4.723
  962   HG12  ILE  44          1HG1      ILE  44  30.127  -6.999   7.082
  963   HG13  ILE  44          2HG1      ILE  44  30.932  -5.493   6.723
  964   HG21  ILE  44          1HG2      ILE  44  30.376  -8.466   5.571
  965   HG22  ILE  44          2HG2      ILE  44  31.709  -7.658   4.745
  966   HG23  ILE  44          3HG2      ILE  44  30.303  -8.197   3.829
  967   HD11  ILE  44          3HD1      ILE  44  27.927  -5.825   6.719
  968   HD12  ILE  44          1HD1      ILE  44  28.829  -4.320   6.525
  969   HD13  ILE  44          2HD1      ILE  44  28.866  -5.177   8.065
  970    H    PHE  45           H        PHE  45  32.904  -6.068   3.395
  971    HA   PHE  45           HA       PHE  45  31.997  -7.322   0.897
  972    HB2  PHE  45           1HB      PHE  45  32.727  -5.095   0.213
  973    HB3  PHE  45           2HB      PHE  45  34.256  -5.308   1.061
  974    HD1  PHE  45           HD1      PHE  45  32.139  -6.701  -1.677
  975    HD2  PHE  45           HD2      PHE  45  36.074  -6.436   0.027
  976    HE1  PHE  45           HE1      PHE  45  33.084  -7.817  -3.682
  977    HE2  PHE  45           HE2      PHE  45  37.016  -7.553  -1.975
  978    HZ   PHE  45           HZ       PHE  45  35.521  -8.244  -3.830
  979    H    ALA  46           H        ALA  46  32.856  -9.266   0.708
  980    HA   ALA  46           HA       ALA  46  34.033 -11.143   1.243
  981    HB1  ALA  46           3HB      ALA  46  36.207  -9.064   1.027
  982    HB2  ALA  46           1HB      ALA  46  35.661 -10.200  -0.206
  983    HB3  ALA  46           2HB      ALA  46  36.540 -10.787   1.206
  984    H    GLY  47           H        GLY  47  32.813  -9.942   3.475
  985    HA2  GLY  47           1HA      GLY  47  32.756 -10.537   5.725
  986    HA3  GLY  47           2HA      GLY  47  34.359 -11.212   5.541
  987    H    LYS  48           H        LYS  48  34.634  -8.058   4.437
  988    HA   LYS  48           HA       LYS  48  35.487  -7.146   7.138
  989    HB2  LYS  48           1HB      LYS  48  36.415  -6.110   4.472
  990    HB3  LYS  48           2HB      LYS  48  37.142  -5.784   6.036
  991    HG2  LYS  48           1HG      LYS  48  37.717  -8.188   6.280
  992    HG3  LYS  48           2HG      LYS  48  37.022  -8.505   4.694
  993    HD2  LYS  48           1HD      LYS  48  39.311  -6.581   5.212
  994    HD3  LYS  48           2HD      LYS  48  39.514  -8.238   4.645
  995    HE2  LYS  48           1HE      LYS  48  37.842  -7.507   2.747
  996    HE3  LYS  48           2HE      LYS  48  38.338  -5.877   3.201
  997    HZ1  LYS  48           3HZ      LYS  48  39.671  -7.524   1.507
  998    HZ2  LYS  48           1HZ      LYS  48  40.544  -7.684   2.951
  999    HZ3  LYS  48           2HZ      LYS  48  40.317  -6.147   2.265
 1000    H    GLN  49           H        GLN  49  34.803  -5.214   7.948
 1001    HA   GLN  49           HA       GLN  49  32.561  -3.902   6.642
 1002    HB2  GLN  49           1HB      GLN  49  32.817  -4.328   9.128
 1003    HB3  GLN  49           2HB      GLN  49  34.034  -3.054   9.154
 1004    HG2  GLN  49           1HG      GLN  49  32.443  -1.404   8.386
 1005    HG3  GLN  49           2HG      GLN  49  31.224  -2.641   8.088
 1006   HE21  GLN  49          1HE2      GLN  49  32.622  -0.578  10.530
 1007   HE22  GLN  49          2HE2      GLN  49  31.665  -1.124  11.821
 1008    H    LEU  50           H        LEU  50  32.734  -2.149   5.354
 1009    HA   LEU  50           HA       LEU  50  35.382  -1.082   4.776
 1010    HB2  LEU  50           1HB      LEU  50  32.731  -0.319   3.533
 1011    HB3  LEU  50           2HB      LEU  50  34.343  -0.023   2.905
 1012    HG   LEU  50           HG       LEU  50  33.157  -2.769   3.400
 1013   HD11  LEU  50          1HD1      LEU  50  33.607  -1.274   0.801
 1014   HD12  LEU  50          2HD1      LEU  50  32.040  -1.575   1.546
 1015   HD13  LEU  50          3HD1      LEU  50  33.006  -2.920   0.948
 1016   HD21  LEU  50          3HD2      LEU  50  35.181  -3.332   1.821
 1017   HD22  LEU  50          1HD2      LEU  50  35.489  -3.049   3.531
 1018   HD23  LEU  50          2HD2      LEU  50  35.802  -1.779   2.356
 1019    H    GLU  51           H        GLU  51  36.150   0.905   5.293
 1020    HA   GLU  51           HA       GLU  51  34.561   2.499   7.161
 1021    HB2  GLU  51           1HB      GLU  51  37.475   2.603   6.359
 1022    HB3  GLU  51           2HB      GLU  51  36.729   3.777   7.447
 1023    HG2  GLU  51           1HG      GLU  51  36.046   1.989   8.960
 1024    HG3  GLU  51           2HG      GLU  51  36.774   0.776   7.914
 1025    H    ASP  52           H        ASP  52  34.185   4.703   6.996
 1026    HA   ASP  52           HA       ASP  52  33.413   5.569   4.419
 1027    HB2  ASP  52           1HB      ASP  52  33.520   6.995   7.072
 1028    HB3  ASP  52           2HB      ASP  52  32.835   7.681   5.606
 1029    H    GLY  53           H        GLY  53  36.424   5.988   6.082
 1030    HA2  GLY  53           1HA      GLY  53  37.144   8.329   4.449
 1031    HA3  GLY  53           2HA      GLY  53  38.086   7.640   5.762
 1032    H    ARG  54           H        ARG  54  37.111   5.104   3.798
 1033    HA   ARG  54           HA       ARG  54  39.687   5.175   2.290
 1034    HB2  ARG  54           1HB      ARG  54  37.973   2.863   3.171
 1035    HB3  ARG  54           2HB      ARG  54  39.439   2.702   2.215
 1036    HG2  ARG  54           1HG      ARG  54  39.210   3.704   5.083
 1037    HG3  ARG  54           2HG      ARG  54  39.932   2.223   4.534
 1038    HD2  ARG  54           1HD      ARG  54  41.556   3.636   3.158
 1039    HD3  ARG  54           2HD      ARG  54  40.995   5.017   4.098
 1040    HE   ARG  54           HE       ARG  54  42.676   2.855   5.037
 1041   HH11  ARG  54          1HH1      ARG  54  41.300   5.906   5.636
 1042   HH12  ARG  54          2HH1      ARG  54  41.511   5.848   7.353
 1043   HH21  ARG  54          1HH2      ARG  54  42.593   2.557   7.382
 1044   HH22  ARG  54          2HH2      ARG  54  42.244   3.957   8.340
 1045    H    THR  55           H        THR  55  39.660   3.989   0.169
 1046    HA   THR  55           HA       THR  55  37.182   4.613  -1.334
 1047    HB   THR  55           HB       THR  55  38.524   4.705  -3.335
 1048    HG1  THR  55           HG1      THR  55  40.760   4.225  -1.659
 1049   HG21  THR  55          1HG2      THR  55  38.373   6.702  -1.790
 1050   HG22  THR  55          2HG2      THR  55  39.758   6.705  -2.883
 1051   HG23  THR  55          3HG2      THR  55  39.972   6.264  -1.187
 1052    H    LEU  56           H        LEU  56  36.772   3.275  -3.254
 1053    HA   LEU  56           HA       LEU  56  36.422   0.534  -2.630
 1054    HB2  LEU  56           1HB      LEU  56  36.479   1.853  -5.352
 1055    HB3  LEU  56           2HB      LEU  56  35.864   0.239  -5.018
 1056    HG   LEU  56           HG       LEU  56  34.772   2.783  -3.785
 1057   HD11  LEU  56          1HD1      LEU  56  33.890   1.150  -6.171
 1058   HD12  LEU  56          2HD1      LEU  56  34.301   2.864  -6.125
 1059   HD13  LEU  56          3HD1      LEU  56  32.828   2.291  -5.344
 1060   HD21  LEU  56          3HD2      LEU  56  32.794   1.151  -3.383
 1061   HD22  LEU  56          1HD2      LEU  56  34.210   0.926  -2.367
 1062   HD23  LEU  56          2HD2      LEU  56  33.943  -0.136  -3.741
 1063    H    SER  57           H        SER  57  38.947   2.125  -4.634
 1064    HA   SER  57           HA       SER  57  40.104  -0.278  -5.488
 1065    HB2  SER  57           1HB      SER  57  42.117   1.019  -5.985
 1066    HB3  SER  57           2HB      SER  57  40.644   1.844  -6.563
 1067    HG   SER  57           HG       SER  57  41.792   3.376  -5.492
 1068    H    ASP  58           H        ASP  58  40.475   1.465  -2.488
 1069    HA   ASP  58           HA       ASP  58  42.871   0.263  -1.605
 1070    HB2  ASP  58           1HB      ASP  58  40.496   1.329  -0.064
 1071    HB3  ASP  58           2HB      ASP  58  41.981   0.802   0.699
 1072    H    TYR  59           H        TYR  59  39.578  -0.900  -1.729
 1073    HA   TYR  59           HA       TYR  59  40.279  -3.303  -0.166
 1074    HB2  TYR  59           1HB      TYR  59  37.634  -2.159  -1.086
 1075    HB3  TYR  59           2HB      TYR  59  37.788  -3.761  -0.366
 1076    HD1  TYR  59           HD1      TYR  59  38.835  -3.971   1.937
 1077    HD2  TYR  59           HD2      TYR  59  37.606  -0.214   0.267
 1078    HE1  TYR  59           HE1      TYR  59  38.830  -2.968   4.205
 1079    HE2  TYR  59           HE2      TYR  59  37.596   0.777   2.527
 1080    HH   TYR  59           HH       TYR  59  38.402  -1.157   5.410
 1081    H    ASN  60           H        ASN  60  40.855  -2.541  -3.152
 1082    HA   ASN  60           HA       ASN  60  40.954  -3.561  -5.171
 1083    HB2  ASN  60           1HB      ASN  60  40.971  -6.023  -3.420
 1084    HB3  ASN  60           2HB      ASN  60  41.454  -5.972  -5.115
 1085   HD21  ASN  60          1HD2      ASN  60  42.881  -6.172  -2.220
 1086   HD22  ASN  60          2HD2      ASN  60  44.252  -5.204  -2.468
 1087    H    ILE  61           H        ILE  61  38.325  -2.851  -4.482
 1088    HA   ILE  61           HA       ILE  61  36.606  -5.106  -5.168
 1089    HB   ILE  61           HB       ILE  61  36.034  -2.150  -4.743
 1090   HG12  ILE  61          1HG1      ILE  61  35.385  -4.591  -3.061
 1091   HG13  ILE  61          2HG1      ILE  61  36.748  -3.517  -2.763
 1092   HG21  ILE  61          1HG2      ILE  61  34.085  -4.453  -5.064
 1093   HG22  ILE  61          2HG2      ILE  61  34.392  -3.234  -6.300
 1094   HG23  ILE  61          3HG2      ILE  61  33.663  -2.769  -4.765
 1095   HD11  ILE  61          3HD1      ILE  61  33.836  -2.671  -2.797
 1096   HD12  ILE  61          1HD1      ILE  61  35.213  -1.626  -2.444
 1097   HD13  ILE  61          2HD1      ILE  61  34.798  -2.941  -1.344
 1098    H    GLN  62           H        GLN  62  36.291  -5.746  -7.172
 1099    HA   GLN  62           HA       GLN  62  37.070  -3.976  -9.400
 1100    HB2  GLN  62           1HB      GLN  62  36.944  -6.984  -9.088
 1101    HB3  GLN  62           2HB      GLN  62  37.228  -6.193 -10.640
 1102    HG2  GLN  62           1HG      GLN  62  39.203  -5.060  -9.724
 1103    HG3  GLN  62           2HG      GLN  62  38.910  -5.793  -8.149
 1104   HE21  GLN  62          1HE2      GLN  62  39.927  -7.769  -7.782
 1105   HE22  GLN  62          2HE2      GLN  62  40.581  -8.759  -8.994
 1106    H    LYS  63           H        LYS  63  35.932  -4.430 -11.486
 1107    HA   LYS  63           HA       LYS  63  33.284  -3.689 -11.318
 1108    HB2  LYS  63           1HB      LYS  63  32.983  -4.451 -13.658
 1109    HB3  LYS  63           2HB      LYS  63  34.431  -3.464 -13.433
 1110    HG2  LYS  63           1HG      LYS  63  35.764  -5.566 -13.192
 1111    HG3  LYS  63           2HG      LYS  63  34.314  -6.484 -13.598
 1112    HD2  LYS  63           1HD      LYS  63  34.167  -5.305 -15.760
 1113    HD3  LYS  63           2HD      LYS  63  35.618  -4.384 -15.357
 1114    HE2  LYS  63           1HE      LYS  63  36.970  -6.382 -15.333
 1115    HE3  LYS  63           2HE      LYS  63  35.545  -7.410 -15.470
 1116    HZ1  LYS  63           3HZ      LYS  63  35.115  -6.171 -17.624
 1117    HZ2  LYS  63           1HZ      LYS  63  36.400  -7.279 -17.620
 1118    HZ3  LYS  63           2HZ      LYS  63  36.715  -5.614 -17.504
 1119    H    GLU  64           H        GLU  64  31.348  -4.631 -11.302
 1120    HA   GLU  64           HA       GLU  64  29.713  -6.156 -10.863
 1121    HB2  GLU  64           1HB      GLU  64  31.629  -8.160 -12.058
 1122    HB3  GLU  64           2HB      GLU  64  29.959  -8.500 -11.631
 1123    HG2  GLU  64           1HG      GLU  64  29.264  -6.606 -13.132
 1124    HG3  GLU  64           2HG      GLU  64  30.936  -6.533 -13.719
 1125    H    SER  65           H        SER  65  31.868  -5.607  -8.899
 1126    HA   SER  65           HA       SER  65  31.953  -8.002  -7.250
 1127    HB2  SER  65           1HB      SER  65  32.654  -5.103  -6.772
 1128    HB3  SER  65           2HB      SER  65  32.759  -6.328  -5.511
 1129    HG   SER  65           HG       SER  65  34.743  -6.038  -6.643
 1130    H    THR  66           H        THR  66  30.723  -8.350  -5.364
 1131    HA   THR  66           HA       THR  66  28.210  -6.777  -5.208
 1132    HB   THR  66           HB       THR  66  28.732  -9.653  -4.391
 1133    HG1  THR  66           HG1      THR  66  27.219  -9.994  -6.147
 1134   HG21  THR  66          1HG2      THR  66  27.058  -8.758  -2.951
 1135   HG22  THR  66          2HG2      THR  66  26.178  -9.613  -4.218
 1136   HG23  THR  66          3HG2      THR  66  26.307  -7.854  -4.267
 1137    H    LEU  67           H        LEU  67  27.972  -5.605  -3.448
 1138    HA   LEU  67           HA       LEU  67  29.597  -6.182  -1.037
 1139    HB2  LEU  67           1HB      LEU  67  28.066  -3.652  -1.677
 1140    HB3  LEU  67           2HB      LEU  67  29.215  -3.903  -0.375
 1141    HG   LEU  67           HG       LEU  67  30.876  -4.477  -2.398
 1142   HD11  LEU  67          1HD1      LEU  67  29.378  -4.321  -4.236
 1143   HD12  LEU  67          2HD1      LEU  67  30.394  -2.885  -4.286
 1144   HD13  LEU  67          3HD1      LEU  67  28.744  -2.774  -3.679
 1145   HD21  LEU  67          3HD2      LEU  67  31.266  -2.687  -0.805
 1146   HD22  LEU  67          1HD2      LEU  67  30.033  -1.687  -1.580
 1147   HD23  LEU  67          2HD2      LEU  67  31.525  -2.075  -2.440
 1148    H    HIS  68           H        HIS  68  28.478  -5.993   1.005
 1149    HA   HIS  68           HA       HIS  68  25.599  -6.663   0.824
 1150    HB2  HIS  68           1HB      HIS  68  27.722  -7.451   2.839
 1151    HB3  HIS  68           2HB      HIS  68  26.002  -7.748   3.074
 1152    HD1  HIS  68           HD1      HIS  68  28.957  -8.830   1.042
 1153    HD2  HIS  68           HD2      HIS  68  24.914  -9.789   1.381
 1154    HE1  HIS  68           HE1      HIS  68  28.619 -10.967  -0.268
 1155    H    LEU  69           H        LEU  69  24.194  -5.385   1.894
 1156    HA   LEU  69           HA       LEU  69  25.283  -3.121   3.465
 1157    HB2  LEU  69           1HB      LEU  69  23.912  -2.530   1.468
 1158    HB3  LEU  69           2HB      LEU  69  22.583  -3.477   2.114
 1159    HG   LEU  69           HG       LEU  69  22.668  -1.945   4.159
 1160   HD11  LEU  69          1HD1      LEU  69  23.631   0.331   3.618
 1161   HD12  LEU  69          2HD1      LEU  69  24.470  -0.423   2.274
 1162   HD13  LEU  69          3HD1      LEU  69  24.826  -0.919   3.930
 1163   HD21  LEU  69          3HD2      LEU  69  22.032  -0.656   1.498
 1164   HD22  LEU  69          1HD2      LEU  69  21.338  -0.228   3.062
 1165   HD23  LEU  69          2HD2      LEU  69  20.974  -1.793   2.335
 1166    H    VAL  70           H        VAL  70  24.807  -2.961   5.583
 1167    HA   VAL  70           HA       VAL  70  22.779  -4.723   6.768
 1168    HB   VAL  70           HB       VAL  70  25.582  -4.078   7.533
 1169   HG11  VAL  70          1HG1      VAL  70  25.059  -4.917   9.884
 1170   HG12  VAL  70          2HG1      VAL  70  23.355  -4.689   9.496
 1171   HG13  VAL  70          3HG1      VAL  70  24.443  -3.303   9.532
 1172   HG21  VAL  70          3HG2      VAL  70  24.906  -6.224   6.479
 1173   HG22  VAL  70          1HG2      VAL  70  23.993  -6.586   7.943
 1174   HG23  VAL  70          2HG2      VAL  70  25.745  -6.390   8.020
 1175    H    LEU  71           H        LEU  71  21.506  -3.813   8.303
 1176    HA   LEU  71           HA       LEU  71  21.542  -0.852   8.451
 1177    HB2  LEU  71           1HB      LEU  71  19.194  -2.691   8.949
 1178    HB3  LEU  71           2HB      LEU  71  19.165  -0.939   8.755
 1179    HG   LEU  71           HG       LEU  71  19.978  -2.938   6.620
 1180   HD11  LEU  71          1HD1      LEU  71  17.544  -2.893   7.123
 1181   HD12  LEU  71          2HD1      LEU  71  17.898  -2.258   5.516
 1182   HD13  LEU  71          3HD1      LEU  71  17.536  -1.152   6.841
 1183   HD21  LEU  71          3HD2      LEU  71  19.925   0.082   6.739
 1184   HD22  LEU  71          1HD2      LEU  71  19.749  -0.762   5.200
 1185   HD23  LEU  71          2HD2      LEU  71  21.211  -0.975   6.157
 1186    H    ARG  72           H        ARG  72  21.490   0.164  10.371
 1187    HA   ARG  72           HA       ARG  72  21.594  -1.501  12.831
 1188    HB2  ARG  72           1HB      ARG  72  23.767  -0.486  12.283
 1189    HB3  ARG  72           2HB      ARG  72  23.012   1.107  12.219
 1190    HG2  ARG  72           1HG      ARG  72  22.432   0.993  14.570
 1191    HG3  ARG  72           2HG      ARG  72  22.989  -0.678  14.668
 1192    HD2  ARG  72           1HD      ARG  72  25.265  -0.027  14.270
 1193    HD3  ARG  72           2HD      ARG  72  24.783   1.618  13.861
 1194    HE   ARG  72           HE       ARG  72  24.256   0.580  16.581
 1195   HH11  ARG  72          1HH1      ARG  72  24.356   3.465  15.081
 1196   HH12  ARG  72          2HH1      ARG  72  25.596   4.194  16.046
 1197   HH21  ARG  72          1HH2      ARG  72  26.533   1.219  17.560
 1198   HH22  ARG  72          2HH2      ARG  72  26.829   2.923  17.451