*HEADER    TRANSFERASE                             30-APR-03   1P6S              
*TITLE     SOLUTION STRUCTURE OF THE PLECKSTRIN HOMOLOGY DOMAIN OF               
*TITLE    2 HUMAN PROTEIN KINASE B BETA (PKB/AKT)                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: RAC-BETA SERINE/THREONINE PROTEIN KINASE;                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: PLECKSTRIN HOMOLOGY DOMAIN (RESIDUES 1-111);               
*COMPND   5 SYNONYM: RAC-PK-BETA, PROTEIN KINASE AKT-2, PROTEIN KINASE           
*COMPND   6 B, BETA, PKB BETA;                                                   
*COMPND   7 EC: 2.7.1.-;                                                         
*COMPND   8 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 GENE: AKT2;                                                          
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PGEX-2T                                   
*KEYWDS    PLECKSTRIN HOMOLOGY DOMAIN, PKB, AKT, SIGNAL TRANSDUCTION             
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    D.AUGUIN, P.BARTHE, M.T.AUGE-SENEGAS, M.H.STERN, M.NOGUCHI,           
*AUTHOR   2 C.ROUMESTAND                                                         
*REVDAT   1   18-MAY-04 1P6S    0                                                

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assign (resid 110 and name HD* ) (resid  32 and name HA  )  6.00 4.20 0.00
assign (resid 110 and name HD* ) (resid  33 and name HN  )  6.00 4.20 0.00
assign (resid 110 and name HD* ) (resid 111 and name HN  )  6.00 4.20 0.00
assign (resid 110 and name HN  ) (resid 111 and name HN  )  2.80 1.00 0.00
assign (resid 111 and name HE# ) (resid 111 and name HN  )  4.80 3.00 0.00
assign (resid   7 and name N   ) (resid  29 and name O   )  3.30 0.60 0.00
assign (resid   7 and name HN  ) (resid  29 and name O   )  2.30 0.50 0.00
assign (resid   8 and name N   ) (resid  29 and name O   )  3.30 0.60 0.00
assign (resid   8 and name HN  ) (resid  29 and name O   )  2.30 0.50 0.00
assign (resid  10 and name N   ) (resid  27 and name O   )  3.30 0.60 0.00
assign (resid  10 and name HN  ) (resid  27 and name O   )  2.30 0.50 0.00
!assign (resid  11 and name N   ) (resid  95 and name OE* )  3.30 0.60 0.00
!assign (resid  11 and name HN  ) (resid  95 and name OE* )  2.30 0.50 0.00
assign (resid  12 and name N   ) (resid  25 and name O   )  3.30 0.60 0.00
assign (resid  12 and name HN  ) (resid  25 and name O   )  2.30 0.50 0.00
assign (resid  13 and name N   ) (resid  89 and name O   )  3.30 0.60 0.00
assign (resid  13 and name HN  ) (resid  89 and name O   )  2.30 0.50 0.00
assign (resid  23 and name N   ) (resid  14 and name O   )  3.30 0.60 0.00
assign (resid  23 and name HN  ) (resid  14 and name O   )  2.30 0.50 0.00
assign (resid  25 and name N   ) (resid  12 and name O   )  3.30 0.60 0.00
assign (resid  25 and name HN  ) (resid  12 and name O   )  2.30 0.50 0.00
assign (resid  26 and name N   ) (resid  38 and name O   )  3.30 0.60 0.00
assign (resid  26 and name HN  ) (resid  38 and name O   )  2.30 0.50 0.00
assign (resid  27 and name N   ) (resid  10 and name O   )  3.30 0.60 0.00
assign (resid  27 and name HN  ) (resid  10 and name O   )  2.30 0.50 0.00
assign (resid  28 and name N   ) (resid  36 and name O   )  3.30 0.60 0.00
assign (resid  28 and name HN  ) (resid  36 and name O   )  2.30 0.50 0.00
assign (resid  29 and name N   ) (resid   8 and name O   )  3.30 0.60 0.00
assign (resid  29 and name HN  ) (resid   8 and name O   )  2.30 0.50 0.00
assign (resid  30 and name N   ) (resid  34 and name O   )  3.30 0.60 0.00
assign (resid  30 and name HN  ) (resid  34 and name O   )  2.30 0.50 0.00
!assign (resid  31 and name N   ) (resid   4 and name O   )  3.30 0.60 0.00
!assign (resid  31 and name HN  ) (resid   4 and name O   )  2.30 0.50 0.00
!assign (resid  33 and name N   ) (resid  30 and name O   )  3.30 0.60 0.00
!assign (resid  33 and name HN  ) (resid  30 and name O   )  2.30 0.50 0.00
!assign (resid  34 and name N   ) (resid  30 and name O   )  3.30 0.60 0.00
!assign (resid  34 and name HN  ) (resid  30 and name O   )  2.30 0.50 0.00
assign (resid  35 and name N   ) (resid  55 and name O   )  3.30 0.60 0.00
assign (resid  35 and name HN  ) (resid  55 and name O   )  2.30 0.50 0.00
assign (resid  36 and name N   ) (resid  28 and name O   )  3.30 0.60 0.00
assign (resid  36 and name HN  ) (resid  28 and name O   )  2.30 0.50 0.00
assign (resid  37 and name N   ) (resid  53 and name O   )  3.30 0.60 0.00
assign (resid  37 and name HN  ) (resid  53 and name O   )  2.30 0.50 0.00
assign (resid  38 and name N   ) (resid  26 and name O   )  3.30 0.60 0.00
assign (resid  38 and name HN  ) (resid  26 and name O   )  2.30 0.50 0.00
assign (resid  57 and name N   ) (resid  33 and name O   )  3.30 0.60 0.00
assign (resid  57 and name HN  ) (resid  33 and name O   )  2.30 0.50 0.00
assign (resid  63 and name N   ) (resid  74 and name O   )  3.30 0.60 0.00
assign (resid  63 and name HN  ) (resid  74 and name O   )  2.30 0.50 0.00
assign (resid  72 and name N   ) (resid  65 and name O   )  3.30 0.60 0.00
assign (resid  72 and name HN  ) (resid  65 and name O   )  2.30 0.50 0.00
assign (resid  73 and name N   ) (resid  88 and name O   )  3.30 0.60 0.00
assign (resid  73 and name HN  ) (resid  88 and name O   )  2.30 0.50 0.00
assign (resid  74 and name N   ) (resid  63 and name O   )  3.30 0.60 0.00
assign (resid  74 and name HN  ) (resid  63 and name O   )  2.30 0.50 0.00
assign (resid  75 and name N   ) (resid  86 and name O   )  3.30 0.60 0.00
assign (resid  75 and name HN  ) (resid  86 and name O   )  2.30 0.50 0.00
assign (resid  88 and name N   ) (resid  73 and name O   )  3.30 0.60 0.00
assign (resid  88 and name HN  ) (resid  73 and name O   )  2.30 0.50 0.00
assign (resid  89 and name N   ) (resid  13 and name O   )  3.30 0.60 0.00
assign (resid  89 and name HN  ) (resid  13 and name O   )  2.30 0.50 0.00
assign (resid  98 and name N   ) (resid  94 and name O   )  3.30 0.60 0.00
assign (resid  98 and name HN  ) (resid  94 and name O   )  2.30 0.50 0.00
assign (resid  99 and name N   ) (resid  95 and name O   )  3.30 0.60 0.00
assign (resid  99 and name HN  ) (resid  95 and name O   )  2.30 0.50 0.00
assign (resid 100 and name N   ) (resid  96 and name O   )  3.30 0.60 0.00
assign (resid 100 and name HN  ) (resid  96 and name O   )  2.30 0.50 0.00
assign (resid 101 and name N   ) (resid  97 and name O   )  3.30 0.60 0.00
assign (resid 101 and name HN  ) (resid  97 and name O   )  2.30 0.50 0.00
assign (resid 102 and name N   ) (resid  98 and name O   )  3.30 0.60 0.00
assign (resid 102 and name HN  ) (resid  98 and name O   )  2.30 0.50 0.00
assign (resid 103 and name N   ) (resid  99 and name O   )  3.30 0.60 0.00
assign (resid 103 and name HN  ) (resid  99 and name O   )  2.30 0.50 0.00
assign (resid 104 and name N   ) (resid 100 and name O   )  3.30 0.60 0.00
assign (resid 104 and name HN  ) (resid 100 and name O   )  2.30 0.50 0.00
assign (resid 105 and name N   ) (resid 101 and name O   )  3.30 0.60 0.00
assign (resid 105 and name HN  ) (resid 101 and name O   )  2.30 0.50 0.00
assign (resid 106 and name N   ) (resid 102 and name O   )  3.30 0.60 0.00
assign (resid 106 and name HN  ) (resid 102 and name O   )  2.30 0.50 0.00
assign (resid 107 and name N   ) (resid 103 and name O   )  3.30 0.60 0.00
assign (resid 107 and name HN  ) (resid 103 and name O   )  2.30 0.50 0.00



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          1H        MET   1  17.884   6.137 -13.520
    2   2H    MET   1          2H        MET   1  17.033   7.503 -14.062
    3   3H    MET   1          3H        MET   1  16.288   5.975 -14.073
    4    HA   MET   1           HA       MET   1  17.052   7.580 -11.683
    5   1HB   MET   1          2HB       MET   1  14.811   7.505 -13.394
    6   2HB   MET   1          1HB       MET   1  14.323   6.618 -11.951
    7   1HG   MET   1          2HG       MET   1  14.895   8.478 -10.524
    8   2HG   MET   1          1HG       MET   1  15.641   9.345 -11.867
    9   1HE   MET   1          1HE       MET   1  11.342   9.212 -10.561
   10   2HE   MET   1          2HE       MET   1  12.812   9.551  -9.651
   11   3HE   MET   1          3HE       MET   1  12.518   7.925 -10.261
   12    H    ASN   2           H        ASN   2  17.664   6.302  -9.996
   13    HA   ASN   2           HA       ASN   2  16.262   3.799  -9.378
   14   1HB   ASN   2          2HB       ASN   2  18.497   2.517  -9.495
   15   2HB   ASN   2          1HB       ASN   2  17.740   2.913 -11.036
   16   1HD2  ASN   2          1HD2      ASN   2  19.164   3.826 -12.524
   17   2HD2  ASN   2          2HD2      ASN   2  20.557   4.711 -12.126
   18    H    GLU   3           H        GLU   3  16.599   6.225  -7.929
   19    HA   GLU   3           HA       GLU   3  18.392   5.342  -5.687
   20   1HB   GLU   3          2HB       GLU   3  18.817   7.750  -5.322
   21   2HB   GLU   3          1HB       GLU   3  19.242   7.288  -6.969
   22   1HG   GLU   3          2HG       GLU   3  16.437   8.117  -6.703
   23   2HG   GLU   3          1HG       GLU   3  17.577   9.392  -6.273
   24    H    VAL   4           H        VAL   4  15.573   4.665  -5.954
   25    HA   VAL   4           HA       VAL   4  14.106   6.494  -4.151
   26    HB   VAL   4           HB       VAL   4  13.448   3.921  -5.619
   27   1HG1  VAL   4          1HG1      VAL   4  11.277   3.952  -4.759
   28   2HG1  VAL   4          2HG1      VAL   4  11.378   5.649  -4.295
   29   3HG1  VAL   4          3HG1      VAL   4  12.215   4.425  -3.344
   30   1HG2  VAL   4          1HG2      VAL   4  12.073   6.537  -6.060
   31   2HG2  VAL   4          2HG2      VAL   4  12.455   5.263  -7.217
   32   3HG2  VAL   4          3HG2      VAL   4  13.718   6.367  -6.673
   33    H    SER   5           H        SER   5  14.200   6.238  -1.965
   34    HA   SER   5           HA       SER   5  15.152   3.640  -0.833
   35   1HB   SER   5          2HB       SER   5  15.028   6.516   0.062
   36   2HB   SER   5          1HB       SER   5  15.230   5.233   1.252
   37    HG   SER   5           HG       SER   5  17.226   6.081   0.414
   38    H    VAL   6           H        VAL   6  14.022   3.193   1.429
   39    HA   VAL   6           HA       VAL   6  11.132   2.994   0.910
   40    HB   VAL   6           HB       VAL   6  13.014   2.062   3.095
   41   1HG1  VAL   6          1HG1      VAL   6  10.757   0.628   3.529
   42   2HG1  VAL   6          2HG1      VAL   6  10.043   2.158   3.020
   43   3HG1  VAL   6          3HG1      VAL   6  11.133   2.110   4.405
   44   1HG2  VAL   6          1HG2      VAL   6  12.244  -0.178   2.151
   45   2HG2  VAL   6          2HG2      VAL   6  13.233   0.798   1.065
   46   3HG2  VAL   6          3HG2      VAL   6  11.484   0.731   0.845
   47    H    ILE   7           H        ILE   7   9.592   4.324   1.774
   48    HA   ILE   7           HA       ILE   7  10.468   6.598   3.462
   49    HB   ILE   7           HB       ILE   7   7.934   5.864   1.966
   50   1HG1  ILE   7          2HG1      ILE   7   9.734   6.508   0.490
   51   2HG1  ILE   7          1HG1      ILE   7   8.627   7.874   0.600
   52   1HG2  ILE   7          1HG2      ILE   7   7.280   8.262   2.464
   53   2HG2  ILE   7          2HG2      ILE   7   8.574   8.287   3.661
   54   3HG2  ILE   7          3HG2      ILE   7   7.222   7.171   3.847
   55   1HD1  ILE   7          1HD1      ILE   7  11.397   7.581   1.677
   56   2HD1  ILE   7          2HD1      ILE   7  10.253   8.534   2.623
   57   3HD1  ILE   7          3HD1      ILE   7  10.614   8.988   0.958
   58    H    LYS   8           H        LYS   8   8.037   3.951   3.575
   59    HA   LYS   8           HA       LYS   8   8.155   4.048   6.545
   60   1HB   LYS   8          2HB       LYS   8   6.283   5.510   5.152
   61   2HB   LYS   8          1HB       LYS   8   5.411   4.010   5.464
   62   1HG   LYS   8          2HG       LYS   8   4.939   5.084   7.442
   63   2HG   LYS   8          1HG       LYS   8   6.486   4.370   7.901
   64   1HD   LYS   8          2HD       LYS   8   7.619   6.381   7.758
   65   2HD   LYS   8          1HD       LYS   8   6.531   7.026   6.529
   66   1HE   LYS   8          2HE       LYS   8   5.796   8.264   8.350
   67   2HE   LYS   8          1HE       LYS   8   4.774   6.831   8.569
   68   1HZ   LYS   8          1HZ       LYS   8   6.385   5.876  10.030
   69   2HZ   LYS   8          2HZ       LYS   8   6.058   7.447  10.585
   70   3HZ   LYS   8          3HZ       LYS   8   7.494   7.127   9.733
   71    H    GLU   9           H        GLU   9   7.874   2.022   7.420
   72    HA   GLU   9           HA       GLU   9   6.822  -0.166   5.645
   73   1HB   GLU   9          2HB       GLU   9   9.152  -0.015   7.574
   74   2HB   GLU   9          1HB       GLU   9   8.478  -1.564   7.066
   75   1HG   GLU   9          2HG       GLU   9   9.146  -1.287   4.852
   76   2HG   GLU   9          1HG       GLU   9   9.187   0.470   4.975
   77    H    GLY  10           H        GLY  10   5.070  -1.241   6.548
   78   1HA   GLY  10          2HA       GLY  10   4.834  -1.530   9.458
   79   2HA   GLY  10          1HA       GLY  10   3.639  -0.446   8.752
   80    H    TRP  11           H        TRP  11   2.699  -2.669  10.004
   81    HA   TRP  11           HA       TRP  11   2.244  -4.799   7.985
   82   1HB   TRP  11          2HB       TRP  11   1.691  -4.368  10.920
   83   2HB   TRP  11          1HB       TRP  11   0.901  -5.684  10.052
   84    HD1  TRP  11           HD       TRP  11   4.305  -4.508  11.281
   85    HE1  TRP  11           1HE      TRP  11   5.985  -6.454  11.092
   86    HE3  TRP  11           3HE      TRP  11   1.457  -7.891   8.723
   87    HZ2  TRP  11           2HZ      TRP  11   6.107  -9.093   9.999
   88    HZ3  TRP  11           3HZ      TRP  11   2.382 -10.110   8.120
   89    HH2  TRP  11           HH       TRP  11   4.704 -10.714   8.752
   90    H    LEU  12           H        LEU  12   0.286  -5.060   6.915
   91    HA   LEU  12           HA       LEU  12  -1.942  -3.160   7.617
   92   1HB   LEU  12          2HB       LEU  12  -0.864  -4.086   4.936
   93   2HB   LEU  12          1HB       LEU  12  -2.378  -3.204   5.113
   94    HG   LEU  12           HG       LEU  12   0.306  -2.188   6.096
   95   1HD1  LEU  12          1HD1      LEU  12  -0.398  -2.427   3.474
   96   2HD1  LEU  12          2HD1      LEU  12   0.635  -1.141   4.095
   97   3HD1  LEU  12          3HD1      LEU  12  -1.087  -0.850   3.851
   98   1HD2  LEU  12          1HD2      LEU  12  -2.494  -1.294   6.330
   99   2HD2  LEU  12          2HD2      LEU  12  -1.390  -0.045   5.757
  100   3HD2  LEU  12          3HD2      LEU  12  -1.089  -0.848   7.297
  101    H    HIS  13           H        HIS  13  -4.092  -4.028   7.334
  102    HA   HIS  13           HA       HIS  13  -4.177  -7.013   7.395
  103   1HB   HIS  13          2HB       HIS  13  -5.675  -4.747   8.566
  104   2HB   HIS  13          1HB       HIS  13  -6.674  -6.112   8.069
  105    HD1  HIS  13           1HD      HIS  13  -6.622  -8.183   9.528
  106    HD2  HIS  13           2HD      HIS  13  -3.569  -5.497  10.471
  107    HE1  HIS  13           1HE      HIS  13  -5.520  -9.059  11.634
  108    H    LYS  14           H        LYS  14  -4.750  -8.021   5.533
  109    HA   LYS  14           HA       LYS  14  -6.653  -6.633   3.667
  110   1HB   LYS  14          2HB       LYS  14  -4.380  -6.727   2.769
  111   2HB   LYS  14          1HB       LYS  14  -4.279  -8.450   3.125
  112   1HG   LYS  14          2HG       LYS  14  -4.773  -8.193   0.764
  113   2HG   LYS  14          1HG       LYS  14  -6.212  -8.827   1.563
  114   1HD   LYS  14          2HD       LYS  14  -6.653  -6.146   1.800
  115   2HD   LYS  14          1HD       LYS  14  -5.770  -6.195   0.274
  116   1HE   LYS  14          2HE       LYS  14  -7.378  -8.069  -0.436
  117   2HE   LYS  14          1HE       LYS  14  -8.362  -7.604   0.964
  118   1HZ   LYS  14          1HZ       LYS  14  -9.133  -6.279  -0.801
  119   2HZ   LYS  14          2HZ       LYS  14  -7.563  -5.923  -1.343
  120   3HZ   LYS  14          3HZ       LYS  14  -8.138  -5.246   0.109
  121    H    ARG  15           H        ARG  15  -8.427  -7.858   3.044
  122    HA   ARG  15           HA       ARG  15  -9.208 -10.183   4.510
  123   1HB   ARG  15          2HB       ARG  15 -10.455  -8.367   2.992
  124   2HB   ARG  15          1HB       ARG  15 -10.287  -9.630   1.776
  125   1HG   ARG  15          2HG       ARG  15 -11.338 -10.332   4.504
  126   2HG   ARG  15          1HG       ARG  15 -12.416  -9.596   3.318
  127   1HD   ARG  15          2HD       ARG  15 -10.747 -12.068   2.739
  128   2HD   ARG  15          1HD       ARG  15 -12.436 -12.128   3.265
  129    HE   ARG  15           HE       ARG  15 -11.466 -10.983   0.690
  130   1HH1  ARG  15          1HH2      ARG  15 -14.098 -11.772   2.846
  131   2HH1  ARG  15          2HH2      ARG  15 -15.301 -11.605   1.617
  132   1HH2  ARG  15          1HH1      ARG  15 -13.056 -10.778  -0.888
  133   2HH2  ARG  15          2HH1      ARG  15 -14.718 -11.047  -0.483
  134    H    GLY  16           H        GLY  16  -8.938 -12.366   4.091
  135   1HA   GLY  16          2HA       GLY  16  -8.183 -13.384   1.470
  136   2HA   GLY  16          1HA       GLY  16  -6.837 -13.410   2.612
  137    H    GLU  17           H        GLU  17 -10.336 -14.203   2.733
  138    HA   GLU  17           HA       GLU  17  -9.723 -16.977   3.527
  139   1HB   GLU  17          2HB       GLU  17  -9.620 -15.203   5.513
  140   2HB   GLU  17          1HB       GLU  17 -11.375 -15.367   5.449
  141   1HG   GLU  17          2HG       GLU  17 -10.907 -17.086   6.915
  142   2HG   GLU  17          1HG       GLU  17 -10.751 -17.969   5.399
  143    H    TYR  18           H        TYR  18 -11.746 -18.265   3.700
  144    HA   TYR  18           HA       TYR  18 -13.653 -17.705   1.653
  145   1HB   TYR  18          2HB       TYR  18 -14.860 -19.633   2.646
  146   2HB   TYR  18          1HB       TYR  18 -13.135 -19.951   2.513
  147    HD1  TYR  18           1HD      TYR  18 -11.770 -20.286   4.464
  148    HD2  TYR  18           2HD      TYR  18 -15.865 -19.051   4.866
  149    HE1  TYR  18           1HE      TYR  18 -11.675 -20.762   6.893
  150    HE2  TYR  18           2HE      TYR  18 -15.767 -19.524   7.297
  151    HH   TYR  18           HH       TYR  18 -12.956 -19.913   8.983
  152    H    ILE  19           H        ILE  19 -13.550 -16.674   5.000
  153    HA   ILE  19           HA       ILE  19 -16.357 -15.654   4.793
  154    HB   ILE  19           HB       ILE  19 -15.400 -17.246   6.655
  155   1HG1  ILE  19          2HG1      ILE  19 -16.695 -15.352   8.287
  156   2HG1  ILE  19          1HG1      ILE  19 -17.362 -15.111   6.673
  157   1HG2  ILE  19          1HG2      ILE  19 -13.492 -15.427   6.977
  158   2HG2  ILE  19          2HG2      ILE  19 -14.115 -16.345   8.346
  159   3HG2  ILE  19          3HG2      ILE  19 -14.686 -14.703   8.054
  160   1HD1  ILE  19          1HD1      ILE  19 -17.102 -17.846   7.941
  161   2HD1  ILE  19          2HD1      ILE  19 -18.028 -17.405   6.507
  162   3HD1  ILE  19          3HD1      ILE  19 -18.552 -16.854   8.098
  163    H    LYS  20           H        LYS  20 -16.058 -13.575   6.757
  164    HA   LYS  20           HA       LYS  20 -14.567 -11.589   5.134
  165   1HB   LYS  20          2HB       LYS  20 -16.760 -11.604   7.175
  166   2HB   LYS  20          1HB       LYS  20 -15.817 -10.125   6.986
  167   1HG   LYS  20          2HG       LYS  20 -16.640  -9.702   4.894
  168   2HG   LYS  20          1HG       LYS  20 -16.711 -11.411   4.465
  169   1HD   LYS  20          2HD       LYS  20 -18.636 -11.482   6.265
  170   2HD   LYS  20          1HD       LYS  20 -18.720  -9.748   5.949
  171   1HE   LYS  20          2HE       LYS  20 -18.796 -10.402   3.437
  172   2HE   LYS  20          1HE       LYS  20 -19.201 -12.027   4.023
  173   1HZ   LYS  20          1HZ       LYS  20 -21.224 -10.780   3.749
  174   2HZ   LYS  20          2HZ       LYS  20 -20.619  -9.497   4.685
  175   3HZ   LYS  20          3HZ       LYS  20 -20.950 -11.000   5.408
  176    H    THR  21           H        THR  21 -12.515 -12.787   6.064
  177    HA   THR  21           HA       THR  21 -11.772 -11.528   8.689
  178    HB   THR  21           HB       THR  21 -10.728 -14.060   7.381
  179    HG1  THR  21           1HG      THR  21 -12.576 -13.591   9.479
  180   1HG2  THR  21          1HG2      THR  21 -10.061 -12.565   9.890
  181   2HG2  THR  21          2HG2      THR  21  -8.987 -13.397   8.765
  182   3HG2  THR  21          3HG2      THR  21  -9.966 -14.326   9.900
  183    H    TRP  22           H        TRP  22  -9.794 -10.443   8.775
  184    HA   TRP  22           HA       TRP  22  -8.397 -10.023   6.151
  185   1HB   TRP  22          2HB       TRP  22  -8.787  -8.206   8.560
  186   2HB   TRP  22          1HB       TRP  22  -7.884  -7.770   7.112
  187    HD1  TRP  22           HD       TRP  22 -11.447  -9.018   8.001
  188    HE1  TRP  22           1HE      TRP  22 -13.115  -7.889   6.401
  189    HE3  TRP  22           3HE      TRP  22  -8.211  -6.344   5.088
  190    HZ2  TRP  22           2HZ      TRP  22 -13.091  -6.084   4.187
  191    HZ3  TRP  22           3HZ      TRP  22  -9.064  -4.925   3.244
  192    HH2  TRP  22           HH       TRP  22 -11.498  -4.793   2.791
  193    H    ARG  23           H        ARG  23  -6.250 -10.594   6.111
  194    HA   ARG  23           HA       ARG  23  -4.964 -11.399   8.685
  195   1HB   ARG  23          2HB       ARG  23  -4.253 -11.963   5.788
  196   2HB   ARG  23          1HB       ARG  23  -3.492 -12.701   7.198
  197   1HG   ARG  23          2HG       ARG  23  -6.305 -13.038   7.490
  198   2HG   ARG  23          1HG       ARG  23  -5.892 -13.506   5.841
  199   1HD   ARG  23          2HD       ARG  23  -4.596 -15.291   6.525
  200   2HD   ARG  23          1HD       ARG  23  -4.106 -14.496   8.032
  201    HE   ARG  23           HE       ARG  23  -6.602 -16.005   7.605
  202   1HH1  ARG  23          1HH2      ARG  23  -4.848 -13.699   9.544
  203   2HH1  ARG  23          2HH2      ARG  23  -5.832 -13.953  10.942
  204   1HH2  ARG  23          1HH1      ARG  23  -7.871 -16.319   9.430
  205   2HH2  ARG  23          2HH1      ARG  23  -7.537 -15.434  10.881
  206    HA   PRO  24           HA       PRO  24  -2.308  -7.884   8.421
  207   1HB   PRO  24          2HB       PRO  24  -0.330  -8.741  10.107
  208   2HB   PRO  24          1HB       PRO  24  -1.916  -8.184  10.677
  209   1HG   PRO  24          2HG       PRO  24  -0.885 -10.952  10.355
  210   2HG   PRO  24          1HG       PRO  24  -1.946 -10.279  11.599
  211   1HD   PRO  24          2HD       PRO  24  -2.816 -11.796   9.490
  212   2HD   PRO  24          1HD       PRO  24  -3.827 -10.618  10.356
  213    H    ARG  25           H        ARG  25  -0.724  -7.313   6.988
  214    HA   ARG  25           HA       ARG  25   1.235  -9.383   6.055
  215   1HB   ARG  25          2HB       ARG  25  -0.954  -8.256   4.662
  216   2HB   ARG  25          1HB       ARG  25   0.480  -7.457   4.020
  217   1HG   ARG  25          2HG       ARG  25   0.502  -9.319   2.672
  218   2HG   ARG  25          1HG       ARG  25   1.402  -9.975   4.038
  219   1HD   ARG  25          2HD       ARG  25  -0.180 -11.595   4.179
  220   2HD   ARG  25          1HD       ARG  25  -1.313 -10.339   4.710
  221    HE   ARG  25           HE       ARG  25  -2.261 -10.355   2.547
  222   1HH1  ARG  25          1HH2      ARG  25   0.926 -11.749   2.472
  223   2HH1  ARG  25          2HH2      ARG  25   0.769 -12.320   0.851
  224   1HH2  ARG  25          1HH1      ARG  25  -2.443 -11.102   0.429
  225   2HH2  ARG  25          2HH1      ARG  25  -1.126 -11.950  -0.303
  226    H    TYR  26           H        TYR  26   3.335  -8.575   5.848
  227    HA   TYR  26           HA       TYR  26   3.921  -5.956   6.994
  228   1HB   TYR  26          2HB       TYR  26   5.298  -8.008   7.300
  229   2HB   TYR  26          1HB       TYR  26   5.672  -7.999   5.579
  230    HD1  TYR  26           1HD      TYR  26   5.581  -5.388   8.291
  231    HD2  TYR  26           2HD      TYR  26   7.821  -7.258   5.138
  232    HE1  TYR  26           1HE      TYR  26   7.465  -3.827   8.701
  233    HE2  TYR  26           2HE      TYR  26   9.703  -5.698   5.549
  234    HH   TYR  26           HH       TYR  26  10.451  -4.285   7.825
  235    H    PHE  27           H        PHE  27   3.414  -4.195   5.718
  236    HA   PHE  27           HA       PHE  27   4.001  -4.305   2.793
  237   1HB   PHE  27          2HB       PHE  27   2.168  -2.840   4.631
  238   2HB   PHE  27          1HB       PHE  27   2.698  -1.977   3.189
  239    HD1  PHE  27           1HD      PHE  27   1.933  -2.602   1.002
  240    HD2  PHE  27           2HD      PHE  27   0.973  -5.032   4.409
  241    HE1  PHE  27           1HE      PHE  27   0.289  -3.860  -0.362
  242    HE2  PHE  27           2HE      PHE  27  -0.670  -6.293   3.046
  243    HZ   PHE  27           HZ       PHE  27  -1.014  -5.707   0.661
  244    H    LEU  28           H        LEU  28   5.495  -2.916   1.859
  245    HA   LEU  28           HA       LEU  28   6.981  -1.043   3.687
  246   1HB   LEU  28          2HB       LEU  28   7.979  -2.744   1.371
  247   2HB   LEU  28          1HB       LEU  28   8.974  -1.646   2.326
  248    HG   LEU  28           HG       LEU  28   7.806  -3.157   4.294
  249   1HD1  LEU  28          1HD1      LEU  28   8.091  -4.825   1.797
  250   2HD1  LEU  28          2HD1      LEU  28   6.748  -4.773   2.938
  251   3HD1  LEU  28          3HD1      LEU  28   8.264  -5.549   3.396
  252   1HD2  LEU  28          1HD2      LEU  28   9.998  -3.414   4.750
  253   2HD2  LEU  28          2HD2      LEU  28  10.373  -2.748   3.162
  254   3HD2  LEU  28          3HD2      LEU  28  10.192  -4.490   3.367
  255    H    LEU  29           H        LEU  29   6.739   1.058   3.005
  256    HA   LEU  29           HA       LEU  29   5.855   1.574   0.204
  257   1HB   LEU  29          2HB       LEU  29   4.658   2.395   2.325
  258   2HB   LEU  29          1HB       LEU  29   6.014   3.507   2.524
  259    HG   LEU  29           HG       LEU  29   4.937   3.502  -0.204
  260   1HD1  LEU  29          1HD1      LEU  29   2.882   4.782   0.428
  261   2HD1  LEU  29          2HD1      LEU  29   3.169   4.341   2.112
  262   3HD1  LEU  29          3HD1      LEU  29   2.818   3.090   0.920
  263   1HD2  LEU  29          1HD2      LEU  29   5.193   5.873   0.046
  264   2HD2  LEU  29          2HD2      LEU  29   6.548   5.144   0.907
  265   3HD2  LEU  29          3HD2      LEU  29   5.162   5.758   1.806
  266    H    LYS  30           H        LYS  30   7.184   2.597  -1.241
  267    HA   LYS  30           HA       LYS  30   9.880   3.470  -0.276
  268   1HB   LYS  30          2HB       LYS  30   8.705   2.341  -2.790
  269   2HB   LYS  30          1HB       LYS  30  10.151   3.342  -2.923
  270   1HG   LYS  30          2HG       LYS  30  10.372   1.430  -0.734
  271   2HG   LYS  30          1HG       LYS  30  10.077   0.623  -2.275
  272   1HD   LYS  30          2HD       LYS  30  12.074   2.830  -2.298
  273   2HD   LYS  30          1HD       LYS  30  12.547   1.349  -1.466
  274   1HE   LYS  30          2HE       LYS  30  11.749   0.095  -3.575
  275   2HE   LYS  30          1HE       LYS  30  11.752   1.682  -4.370
  276   1HZ   LYS  30          1HZ       LYS  30  14.021   1.995  -3.876
  277   2HZ   LYS  30          2HZ       LYS  30  13.913   0.404  -4.464
  278   3HZ   LYS  30          3HZ       LYS  30  14.062   0.686  -2.796
  279    H    SER  31           H        SER  31  10.802   5.326  -1.698
  280    HA   SER  31           HA       SER  31   9.007   7.630  -1.495
  281   1HB   SER  31          2HB       SER  31  11.705   7.162  -1.296
  282   2HB   SER  31          1HB       SER  31  11.596   7.891  -2.895
  283    HG   SER  31           HG       SER  31  10.748   9.701  -2.018
  284    H    ASP  32           H        ASP  32   9.164   5.288  -3.840
  285    HA   ASP  32           HA       ASP  32   9.038   7.077  -6.198
  286   1HB   ASP  32          2HB       ASP  32  10.186   4.775  -5.993
  287   2HB   ASP  32          1HB       ASP  32   8.563   4.091  -6.044
  288    H    GLY  33           H        GLY  33   6.861   6.369  -3.829
  289   1HA   GLY  33          2HA       GLY  33   4.533   6.746  -3.788
  290   2HA   GLY  33          1HA       GLY  33   4.567   6.950  -5.541
  291    H    SER  34           H        SER  34   5.827   4.171  -3.734
  292    HA   SER  34           HA       SER  34   3.533   2.486  -4.570
  293   1HB   SER  34          2HB       SER  34   5.841   2.833  -6.152
  294   2HB   SER  34          1HB       SER  34   6.048   1.266  -5.374
  295    HG   SER  34           HG       SER  34   4.731   1.546  -7.457
  296    H    PHE  35           H        PHE  35   3.265   0.771  -3.135
  297    HA   PHE  35           HA       PHE  35   5.554   0.111  -1.337
  298   1HB   PHE  35          2HB       PHE  35   3.886  -0.004   0.547
  299   2HB   PHE  35          1HB       PHE  35   4.146   1.612  -0.089
  300    HD1  PHE  35           1HD      PHE  35   1.735  -0.936   0.635
  301    HD2  PHE  35           2HD      PHE  35   2.444   2.525  -1.805
  302    HE1  PHE  35           1HE      PHE  35  -0.705  -0.680   0.293
  303    HE2  PHE  35           2HE      PHE  35   0.001   2.776  -2.156
  304    HZ   PHE  35           HZ       PHE  35  -1.574   1.178  -1.097
  305    H    ILE  36           H        ILE  36   5.804  -2.056  -0.930
  306    HA   ILE  36           HA       ILE  36   3.951  -3.903  -2.375
  307    HB   ILE  36           HB       ILE  36   6.854  -3.868  -1.582
  308   1HG1  ILE  36          2HG1      ILE  36   6.865  -4.754  -4.063
  309   2HG1  ILE  36          1HG1      ILE  36   5.219  -4.123  -4.093
  310   1HG2  ILE  36          1HG2      ILE  36   5.452  -6.350  -2.600
  311   2HG2  ILE  36          2HG2      ILE  36   5.808  -6.091  -0.893
  312   3HG2  ILE  36          3HG2      ILE  36   7.122  -6.196  -2.060
  313   1HD1  ILE  36          1HD1      ILE  36   5.908  -1.924  -3.831
  314   2HD1  ILE  36          2HD1      ILE  36   7.265  -2.574  -4.752
  315   3HD1  ILE  36          3HD1      ILE  36   7.399  -2.379  -3.004
  316    H    GLY  37           H        GLY  37   3.013  -5.655  -1.318
  317   1HA   GLY  37          2HA       GLY  37   3.152  -5.628   1.659
  318   2HA   GLY  37          1HA       GLY  37   1.818  -6.284   0.712
  319    H    TYR  38           H        TYR  38   3.983  -7.347   2.731
  320    HA   TYR  38           HA       TYR  38   4.729  -9.797   1.156
  321   1HB   TYR  38          2HB       TYR  38   6.089  -8.036   3.131
  322   2HB   TYR  38          1HB       TYR  38   6.376  -9.762   3.327
  323    HD1  TYR  38           1HD      TYR  38   6.926  -6.828   1.208
  324    HD2  TYR  38           2HD      TYR  38   7.433 -11.081   1.526
  325    HE1  TYR  38           1HE      TYR  38   8.567  -6.772  -0.648
  326    HE2  TYR  38           2HE      TYR  38   9.071 -11.026  -0.331
  327    HH   TYR  38           HH       TYR  38  10.585  -9.420  -1.412
  328    H    LYS  39           H        LYS  39   4.052 -11.774   2.036
  329    HA   LYS  39           HA       LYS  39   1.976 -11.912   3.992
  330   1HB   LYS  39          2HB       LYS  39   2.410 -13.656   2.332
  331   2HB   LYS  39          1HB       LYS  39   4.011 -13.948   3.010
  332   1HG   LYS  39          2HG       LYS  39   2.802 -14.495   5.213
  333   2HG   LYS  39          1HG       LYS  39   1.323 -14.550   4.256
  334   1HD   LYS  39          2HD       LYS  39   1.847 -16.707   3.824
  335   2HD   LYS  39          1HD       LYS  39   3.106 -16.076   2.764
  336   1HE   LYS  39          2HE       LYS  39   4.744 -16.152   4.575
  337   2HE   LYS  39          1HE       LYS  39   3.488 -16.642   5.729
  338   1HZ   LYS  39          1HZ       LYS  39   4.719 -18.557   4.821
  339   2HZ   LYS  39          2HZ       LYS  39   4.198 -18.143   3.257
  340   3HZ   LYS  39          3HZ       LYS  39   3.068 -18.616   4.436
  341    H    GLU  40           H        GLU  40   5.483 -12.540   4.282
  342    HA   GLU  40           HA       GLU  40   5.241 -12.198   7.255
  343   1HB   GLU  40          2HB       GLU  40   6.171 -14.384   5.609
  344   2HB   GLU  40          1HB       GLU  40   7.511 -13.774   6.578
  345   1HG   GLU  40          2HG       GLU  40   4.900 -14.098   7.973
  346   2HG   GLU  40          1HG       GLU  40   5.747 -15.579   7.526
  347    H    ARG  41           H        ARG  41   8.119 -12.259   7.621
  348    HA   ARG  41           HA       ARG  41   8.873  -9.701   6.244
  349   1HB   ARG  41          2HB       ARG  41   9.152 -10.748   9.044
  350   2HB   ARG  41          1HB       ARG  41  10.333  -9.580   8.449
  351   1HG   ARG  41          2HG       ARG  41   8.411  -8.100   7.763
  352   2HG   ARG  41          1HG       ARG  41   7.328  -9.221   8.585
  353   1HD   ARG  41          2HD       ARG  41   9.664  -7.815   9.930
  354   2HD   ARG  41          1HD       ARG  41   7.971  -7.293  10.048
  355    HE   ARG  41           HE       ARG  41   7.948 -10.022  10.686
  356   1HH1  ARG  41          1HH2      ARG  41   9.456  -7.129  11.891
  357   2HH1  ARG  41          2HH2      ARG  41   9.546  -7.711  13.517
  358   1HH2  ARG  41          1HH1      ARG  41   8.067 -10.772  12.805
  359   2HH2  ARG  41          2HH1      ARG  41   8.761  -9.770  14.035
  360    HA   PRO  42           HA       PRO  42  11.985 -13.066   5.241
  361   1HB   PRO  42          2HB       PRO  42  11.840 -12.831   2.517
  362   2HB   PRO  42          1HB       PRO  42  10.785 -13.914   3.448
  363   1HG   PRO  42          2HG       PRO  42  10.212 -11.226   2.311
  364   2HG   PRO  42          1HG       PRO  42   9.172 -12.655   2.414
  365   1HD   PRO  42          2HD       PRO  42   8.981 -10.522   4.106
  366   2HD   PRO  42          1HD       PRO  42   8.504 -12.175   4.545
  367    H    GLU  43           H        GLU  43  14.166 -12.586   4.608
  368    HA   GLU  43           HA       GLU  43  14.874 -10.096   3.240
  369   1HB   GLU  43          2HB       GLU  43  14.216  -9.923   5.914
  370   2HB   GLU  43          1HB       GLU  43  15.969 -10.097   5.971
  371   1HG   GLU  43          2HG       GLU  43  15.840  -7.806   5.708
  372   2HG   GLU  43          1HG       GLU  43  15.838  -8.284   4.011
  373    H    ALA  44           H        ALA  44  15.554 -12.896   2.912
  374    HA   ALA  44           HA       ALA  44  18.188 -13.427   4.023
  375   1HB   ALA  44          1HB       ALA  44  18.067 -15.349   2.428
  376   2HB   ALA  44          2HB       ALA  44  16.590 -14.654   1.760
  377   3HB   ALA  44          3HB       ALA  44  16.628 -15.203   3.436
  378    HA   PRO  45           HA       PRO  45  20.345 -11.034   0.944
  379   1HB   PRO  45          2HB       PRO  45  22.859 -11.584   1.863
  380   2HB   PRO  45          1HB       PRO  45  21.775 -10.424   2.654
  381   1HG   PRO  45          2HG       PRO  45  22.470 -13.195   3.434
  382   2HG   PRO  45          1HG       PRO  45  22.089 -11.796   4.447
  383   1HD   PRO  45          2HD       PRO  45  20.347 -13.876   3.864
  384   2HD   PRO  45          1HD       PRO  45  19.868 -12.271   4.455
  385    H    ASP  46           H        ASP  46  20.743 -14.456   1.569
  386    HA   ASP  46           HA       ASP  46  22.453 -14.891  -0.814
  387   1HB   ASP  46          2HB       ASP  46  21.191 -16.931   1.038
  388   2HB   ASP  46          1HB       ASP  46  22.646 -17.116   0.061
  389    H    GLN  47           H        GLN  47  19.087 -15.019   0.097
  390    HA   GLN  47           HA       GLN  47  18.378 -15.936  -2.643
  391   1HB   GLN  47          2HB       GLN  47  16.765 -17.554  -1.621
  392   2HB   GLN  47          1HB       GLN  47  18.436 -17.934  -1.209
  393   1HG   GLN  47          2HG       GLN  47  18.163 -17.382   1.004
  394   2HG   GLN  47          1HG       GLN  47  17.001 -16.106   0.650
  395   1HE2  GLN  47          1HE2      GLN  47  14.891 -17.252  -0.556
  396   2HE2  GLN  47          2HE2      GLN  47  14.264 -18.555   0.333
  397    H    THR  48           H        THR  48  18.086 -13.415  -2.331
  398    HA   THR  48           HA       THR  48  16.172 -12.131  -0.799
  399    HB   THR  48           HB       THR  48  17.688 -11.122  -2.488
  400    HG1  THR  48           1HG      THR  48  16.241  -9.553  -3.123
  401   1HG2  THR  48          1HG2      THR  48  17.429 -11.399  -4.773
  402   2HG2  THR  48          2HG2      THR  48  15.713 -11.781  -4.637
  403   3HG2  THR  48          3HG2      THR  48  16.921 -12.987  -4.199
  404    H    LEU  49           H        LEU  49  13.979 -12.210  -0.604
  405    HA   LEU  49           HA       LEU  49  12.464 -14.114  -2.300
  406   1HB   LEU  49          2HB       LEU  49  11.868 -12.579   0.248
  407   2HB   LEU  49          1HB       LEU  49  10.730 -13.694  -0.510
  408    HG   LEU  49           HG       LEU  49  12.983 -15.237  -0.438
  409   1HD1  LEU  49          1HD1      LEU  49  14.498 -14.291   0.944
  410   2HD1  LEU  49          2HD1      LEU  49  13.381 -14.652   2.260
  411   3HD1  LEU  49          3HD1      LEU  49  13.348 -13.068   1.486
  412   1HD2  LEU  49          1HD2      LEU  49  11.881 -15.944   1.913
  413   2HD2  LEU  49          2HD2      LEU  49  11.104 -16.295   0.369
  414   3HD2  LEU  49          3HD2      LEU  49  10.594 -14.897   1.315
  415    HA   PRO  50           HA       PRO  50  10.768 -10.814  -4.721
  416   1HB   PRO  50          2HB       PRO  50   8.715 -12.217  -5.870
  417   2HB   PRO  50          1HB       PRO  50  10.409 -12.389  -6.371
  418   1HG   PRO  50          2HG       PRO  50   8.772 -14.137  -4.601
  419   2HG   PRO  50          1HG       PRO  50   9.966 -14.579  -5.832
  420   1HD   PRO  50          2HD       PRO  50  10.498 -14.592  -3.164
  421   2HD   PRO  50          1HD       PRO  50  11.736 -14.297  -4.405
  422    HA   PRO  51           HA       PRO  51   7.414  -9.239  -2.328
  423   1HB   PRO  51          2HB       PRO  51   6.256  -7.549  -4.137
  424   2HB   PRO  51          1HB       PRO  51   7.808  -7.206  -3.349
  425   1HG   PRO  51          2HG       PRO  51   7.264  -8.239  -6.082
  426   2HG   PRO  51          1HG       PRO  51   8.500  -7.100  -5.530
  427   1HD   PRO  51          2HD       PRO  51   8.990  -9.734  -6.072
  428   2HD   PRO  51          1HD       PRO  51   9.948  -8.761  -4.935
  429    H    LEU  52           H        LEU  52   5.354  -9.964  -1.846
  430    HA   LEU  52           HA       LEU  52   3.998 -11.761  -3.751
  431   1HB   LEU  52          2HB       LEU  52   4.011 -11.132  -0.878
  432   2HB   LEU  52          1HB       LEU  52   2.393 -11.444  -1.508
  433    HG   LEU  52           HG       LEU  52   3.517 -13.502  -2.670
  434   1HD1  LEU  52          1HD1      LEU  52   5.450 -12.927  -0.401
  435   2HD1  LEU  52          2HD1      LEU  52   5.832 -12.869  -2.121
  436   3HD1  LEU  52          3HD1      LEU  52   5.417 -14.406  -1.363
  437   1HD2  LEU  52          1HD2      LEU  52   3.212 -13.536   0.347
  438   2HD2  LEU  52          2HD2      LEU  52   2.950 -14.876  -0.769
  439   3HD2  LEU  52          3HD2      LEU  52   1.843 -13.504  -0.766
  440    H    ASN  53           H        ASN  53   3.148  -8.749  -1.987
  441    HA   ASN  53           HA       ASN  53   0.953  -8.289  -3.983
  442   1HB   ASN  53          2HB       ASN  53   1.407  -7.572  -1.085
  443   2HB   ASN  53          1HB       ASN  53   0.215  -6.702  -2.051
  444   1HD2  ASN  53          1HD2      ASN  53  -1.730  -7.839  -2.679
  445   2HD2  ASN  53          2HD2      ASN  53  -2.106  -9.383  -2.083
  446    H    ASN  54           H        ASN  54   1.118  -6.477  -5.285
  447    HA   ASN  54           HA       ASN  54   3.304  -4.509  -4.653
  448   1HB   ASN  54          2HB       ASN  54   3.090  -6.242  -6.772
  449   2HB   ASN  54          1HB       ASN  54   2.343  -4.790  -7.437
  450   1HD2  ASN  54          1HD2      ASN  54   3.744  -3.116  -8.098
  451   2HD2  ASN  54          2HD2      ASN  54   5.412  -3.095  -7.786
  452    H    PHE  55           H        PHE  55   2.260  -2.697  -3.855
  453    HA   PHE  55           HA       PHE  55  -0.289  -1.831  -5.181
  454   1HB   PHE  55          2HB       PHE  55   0.276  -2.340  -2.564
  455   2HB   PHE  55          1HB       PHE  55   0.629  -0.615  -2.634
  456    HD1  PHE  55           1HD      PHE  55  -1.236   0.637  -4.305
  457    HD2  PHE  55           2HD      PHE  55  -1.870  -2.808  -1.816
  458    HE1  PHE  55           1HE      PHE  55  -3.663   1.135  -4.229
  459    HE2  PHE  55           2HE      PHE  55  -4.296  -2.307  -1.743
  460    HZ   PHE  55           HZ       PHE  55  -5.194  -0.336  -2.948
  461    H    SER  56           H        SER  56  -0.066  -0.108  -6.551
  462    HA   SER  56           HA       SER  56   2.229   1.778  -6.122
  463   1HB   SER  56          2HB       SER  56   2.194   0.360  -8.195
  464   2HB   SER  56          1HB       SER  56   0.673   1.125  -8.645
  465    HG   SER  56           HG       SER  56   2.935   1.994  -9.332
  466    H    VAL  57           H        VAL  57   1.732   3.922  -5.795
  467    HA   VAL  57           HA       VAL  57  -1.118   4.770  -6.203
  468    HB   VAL  57           HB       VAL  57  -0.327   4.448  -3.833
  469   1HG1  VAL  57          1HG1      VAL  57   1.138   6.656  -3.219
  470   2HG1  VAL  57          2HG1      VAL  57   1.782   6.280  -4.817
  471   3HG1  VAL  57          3HG1      VAL  57   1.845   5.073  -3.534
  472   1HG2  VAL  57          1HG2      VAL  57  -1.996   6.301  -4.775
  473   2HG2  VAL  57          2HG2      VAL  57  -0.748   7.390  -4.170
  474   3HG2  VAL  57          3HG2      VAL  57  -1.542   6.261  -3.072
  475    H    ALA  58           H        ALA  58   1.244   5.007  -8.079
  476    HA   ALA  58           HA       ALA  58   2.170   7.754  -8.105
  477   1HB   ALA  58          1HB       ALA  58   3.426   6.060  -9.238
  478   2HB   ALA  58          2HB       ALA  58   2.735   7.061 -10.515
  479   3HB   ALA  58          3HB       ALA  58   2.008   5.503 -10.125
  480    H    GLU  59           H        GLU  59  -0.460   6.028  -9.813
  481    HA   GLU  59           HA       GLU  59  -1.504   8.665 -10.788
  482   1HB   GLU  59          2HB       GLU  59  -1.476   5.839 -11.787
  483   2HB   GLU  59          1HB       GLU  59  -2.821   6.874 -12.265
  484   1HG   GLU  59          2HG       GLU  59  -1.415   8.402 -13.377
  485   2HG   GLU  59          1HG       GLU  59   0.024   7.837 -12.527
  486    H    CYS  60           H        CYS  60  -3.984   8.648 -10.977
  487    HA   CYS  60           HA       CYS  60  -6.087   8.586  -9.926
  488   1HB   CYS  60          2HB       CYS  60  -4.880   5.900  -9.813
  489   2HB   CYS  60          1HB       CYS  60  -6.167   6.153  -8.635
  490    H    GLN  61           H        GLN  61  -6.912   7.519  -7.452
  491    HA   GLN  61           HA       GLN  61  -5.024   8.529  -5.397
  492   1HB   GLN  61          2HB       GLN  61  -6.366  10.345  -4.767
  493   2HB   GLN  61          1HB       GLN  61  -6.537  10.357  -6.519
  494   1HG   GLN  61          2HG       GLN  61  -8.486   8.933  -4.681
  495   2HG   GLN  61          1HG       GLN  61  -8.709  10.595  -5.219
  496   1HE2  GLN  61          1HE2      GLN  61  -9.494   7.413  -6.013
  497   2HE2  GLN  61          2HE2      GLN  61  -9.842   7.640  -7.659
  498    H    LEU  62           H        LEU  62  -5.832   8.096  -3.178
  499    HA   LEU  62           HA       LEU  62  -7.710   5.748  -3.095
  500   1HB   LEU  62          2HB       LEU  62  -5.226   6.536  -1.557
  501   2HB   LEU  62          1HB       LEU  62  -6.346   5.333  -0.922
  502    HG   LEU  62           HG       LEU  62  -6.091   4.338  -3.387
  503   1HD1  LEU  62          1HD1      LEU  62  -3.534   4.581  -3.872
  504   2HD1  LEU  62          2HD1      LEU  62  -3.669   6.065  -2.930
  505   3HD1  LEU  62          3HD1      LEU  62  -4.623   5.864  -4.399
  506   1HD2  LEU  62          1HD2      LEU  62  -5.580   2.945  -1.553
  507   2HD2  LEU  62          2HD2      LEU  62  -4.306   4.021  -0.976
  508   3HD2  LEU  62          3HD2      LEU  62  -4.046   3.044  -2.421
  509    H    MET  63           H        MET  63  -9.104   5.648  -1.168
  510    HA   MET  63           HA       MET  63  -9.509   8.304   0.171
  511   1HB   MET  63          2HB       MET  63 -11.939   7.863  -0.029
  512   2HB   MET  63          1HB       MET  63 -11.164   7.891  -1.611
  513   1HG   MET  63          2HG       MET  63 -11.014   5.211  -0.656
  514   2HG   MET  63          1HG       MET  63 -12.667   5.766  -0.396
  515   1HE   MET  63          1HE       MET  63 -13.864   4.655  -1.529
  516   2HE   MET  63          2HE       MET  63 -13.666   3.986  -3.148
  517   3HE   MET  63          3HE       MET  63 -14.475   5.537  -2.936
  518    H    LYS  64           H        LYS  64  -9.880   8.208   2.380
  519    HA   LYS  64           HA       LYS  64  -9.415   5.637   3.741
  520   1HB   LYS  64          2HB       LYS  64  -9.890   8.499   4.640
  521   2HB   LYS  64          1HB       LYS  64  -9.563   7.175   5.759
  522   1HG   LYS  64          2HG       LYS  64  -7.380   6.834   4.899
  523   2HG   LYS  64          1HG       LYS  64  -7.717   7.775   3.445
  524   1HD   LYS  64          2HD       LYS  64  -7.871   9.050   6.171
  525   2HD   LYS  64          1HD       LYS  64  -6.326   8.895   5.335
  526   1HE   LYS  64          2HE       LYS  64  -6.826  10.747   4.131
  527   2HE   LYS  64          1HE       LYS  64  -8.220   9.894   3.437
  528   1HZ   LYS  64          1HZ       LYS  64  -9.598  10.577   5.192
  529   2HZ   LYS  64          2HZ       LYS  64  -8.720  11.973   4.785
  530   3HZ   LYS  64          3HZ       LYS  64  -8.293  11.069   6.160
  531    H    THR  65           H        THR  65 -11.041   4.358   4.576
  532    HA   THR  65           HA       THR  65 -13.773   5.560   4.867
  533    HB   THR  65           HB       THR  65 -13.369   4.222   2.752
  534    HG1  THR  65           1HG      THR  65 -15.305   3.074   3.007
  535   1HG2  THR  65          1HG2      THR  65 -13.371   1.709   3.098
  536   2HG2  THR  65          2HG2      THR  65 -13.007   2.015   4.795
  537   3HG2  THR  65          3HG2      THR  65 -11.869   2.517   3.546
  538    H    GLU  66           H        GLU  66 -15.204   3.764   6.051
  539    HA   GLU  66           HA       GLU  66 -13.618   2.649   8.342
  540   1HB   GLU  66          2HB       GLU  66 -15.382   3.435   9.817
  541   2HB   GLU  66          1HB       GLU  66 -14.877   4.785   8.807
  542   1HG   GLU  66          2HG       GLU  66 -17.162   3.050   7.906
  543   2HG   GLU  66          1HG       GLU  66 -17.442   4.289   9.127
  544    H    ARG  67           H        ARG  67 -14.926   1.490   5.756
  545    HA   ARG  67           HA       ARG  67 -16.456  -0.680   7.144
  546   1HB   ARG  67          2HB       ARG  67 -17.007   0.882   4.619
  547   2HB   ARG  67          1HB       ARG  67 -17.729  -0.707   4.879
  548   1HG   ARG  67          2HG       ARG  67 -19.011   0.017   6.685
  549   2HG   ARG  67          1HG       ARG  67 -17.925   1.356   7.051
  550   1HD   ARG  67          2HD       ARG  67 -19.433   2.668   5.959
  551   2HD   ARG  67          1HD       ARG  67 -18.810   1.936   4.468
  552    HE   ARG  67           HE       ARG  67 -20.699   0.139   5.640
  553   1HH1  ARG  67          1HH2      ARG  67 -20.525   3.234   4.065
  554   2HH1  ARG  67          2HH2      ARG  67 -22.119   3.122   3.403
  555   1HH2  ARG  67          1HH1      ARG  67 -22.778   0.002   4.773
  556   2HH2  ARG  67          2HH1      ARG  67 -23.392   1.297   3.802
  557    HA   PRO  68           HA       PRO  68 -17.158  -2.588   6.781
  558   1HB   PRO  68          2HB       PRO  68 -16.130  -4.915   7.788
  559   2HB   PRO  68          1HB       PRO  68 -16.932  -4.811   6.209
  560   1HG   PRO  68          2HG       PRO  68 -14.030  -4.889   6.854
  561   2HG   PRO  68          1HG       PRO  68 -14.912  -5.650   5.521
  562   1HD   PRO  68          2HD       PRO  68 -13.444  -3.368   5.247
  563   2HD   PRO  68          1HD       PRO  68 -14.839  -3.769   4.225
  564    H    ARG  69           H        ARG  69 -13.742  -2.356   7.648
  565    HA   ARG  69           HA       ARG  69 -14.496  -1.913  10.519
  566   1HB   ARG  69          2HB       ARG  69 -12.075  -2.958   9.068
  567   2HB   ARG  69          1HB       ARG  69 -11.898  -2.289  10.689
  568   1HG   ARG  69          2HG       ARG  69 -13.677  -3.858  11.483
  569   2HG   ARG  69          1HG       ARG  69 -13.710  -4.580   9.875
  570   1HD   ARG  69          2HD       ARG  69 -12.204  -5.998  10.994
  571   2HD   ARG  69          1HD       ARG  69 -11.097  -4.819  10.263
  572    HE   ARG  69           HE       ARG  69 -12.124  -4.051  12.910
  573   1HH1  ARG  69          1HH2      ARG  69  -9.605  -5.624  11.094
  574   2HH1  ARG  69          2HH2      ARG  69  -8.429  -5.453  12.349
  575   1HH2  ARG  69          1HH1      ARG  69 -10.579  -3.840  14.540
  576   2HH2  ARG  69          2HH1      ARG  69  -8.976  -4.448  14.292
  577    HA   PRO  70           HA       PRO  70 -13.286   2.308  10.244
  578   1HB   PRO  70          2HB       PRO  70 -11.999   2.690  12.637
  579   2HB   PRO  70          1HB       PRO  70 -13.762   2.524  12.496
  580   1HG   PRO  70          2HG       PRO  70 -11.728   0.482  13.266
  581   2HG   PRO  70          1HG       PRO  70 -13.324   0.802  13.966
  582   1HD   PRO  70          2HD       PRO  70 -12.884  -1.240  12.259
  583   2HD   PRO  70          1HD       PRO  70 -14.432  -0.366  12.318
  584    H    ASN  71           H        ASN  71 -11.392   3.714   9.987
  585    HA   ASN  71           HA       ASN  71  -9.220   4.179   9.211
  586   1HB   ASN  71          2HB       ASN  71  -8.521   1.818  10.985
  587   2HB   ASN  71          1HB       ASN  71  -7.450   3.132  10.510
  588   1HD2  ASN  71          1HD2      ASN  71  -9.745   2.132  12.886
  589   2HD2  ASN  71          2HD2      ASN  71  -9.873   3.614  13.702
  590    H    THR  72           H        THR  72 -10.399   3.080   7.208
  591    HA   THR  72           HA       THR  72  -8.684   0.794   6.280
  592    HB   THR  72           HB       THR  72 -11.627   1.424   5.934
  593    HG1  THR  72           1HG      THR  72 -11.783  -0.094   7.354
  594   1HG2  THR  72          1HG2      THR  72 -10.944   0.745   3.745
  595   2HG2  THR  72          2HG2      THR  72 -11.626  -0.691   4.506
  596   3HG2  THR  72          3HG2      THR  72  -9.877  -0.501   4.390
  597    H    PHE  73           H        PHE  73  -8.192   0.840   3.973
  598    HA   PHE  73           HA       PHE  73  -8.418   3.580   2.751
  599   1HB   PHE  73          2HB       PHE  73  -6.232   1.640   3.180
  600   2HB   PHE  73          1HB       PHE  73  -6.276   2.330   1.559
  601    HD1  PHE  73           1HD      PHE  73  -6.302   4.853   1.291
  602    HD2  PHE  73           2HD      PHE  73  -5.510   2.923   5.045
  603    HE1  PHE  73           1HE      PHE  73  -5.295   6.947   2.155
  604    HE2  PHE  73           2HE      PHE  73  -4.504   5.016   5.909
  605    HZ   PHE  73           HZ       PHE  73  -4.395   7.026   4.464
  606    H    VAL  74           H        VAL  74  -9.506   3.634   0.818
  607    HA   VAL  74           HA       VAL  74  -9.856   1.053  -0.686
  608    HB   VAL  74           HB       VAL  74 -11.724   3.428  -0.350
  609   1HG1  VAL  74          1HG1      VAL  74 -11.966   0.846  -1.916
  610   2HG1  VAL  74          2HG1      VAL  74 -12.079   2.495  -2.535
  611   3HG1  VAL  74          3HG1      VAL  74 -13.355   1.852  -1.501
  612   1HG2  VAL  74          1HG2      VAL  74 -12.979   2.109   1.125
  613   2HG2  VAL  74          2HG2      VAL  74 -11.328   1.668   1.564
  614   3HG2  VAL  74          3HG2      VAL  74 -12.280   0.603   0.529
  615    H    ILE  75           H        ILE  75  -9.483   1.134  -2.907
  616    HA   ILE  75           HA       ILE  75  -8.887   3.798  -4.137
  617    HB   ILE  75           HB       ILE  75  -6.790   2.696  -3.423
  618   1HG1  ILE  75          2HG1      ILE  75  -7.070   2.428  -6.427
  619   2HG1  ILE  75          1HG1      ILE  75  -7.008   3.994  -5.619
  620   1HG2  ILE  75          1HG2      ILE  75  -7.705   0.428  -5.223
  621   2HG2  ILE  75          2HG2      ILE  75  -7.582   0.361  -3.466
  622   3HG2  ILE  75          3HG2      ILE  75  -6.127   0.543  -4.445
  623   1HD1  ILE  75          1HD1      ILE  75  -4.760   3.819  -5.805
  624   2HD1  ILE  75          2HD1      ILE  75  -4.844   2.098  -6.178
  625   3HD1  ILE  75          3HD1      ILE  75  -4.868   2.638  -4.500
  626    H    ARG  76           H        ARG  76  -9.634   3.973  -6.265
  627    HA   ARG  76           HA       ARG  76 -10.919   1.526  -7.443
  628   1HB   ARG  76          2HB       ARG  76 -12.373   3.430  -6.537
  629   2HB   ARG  76          1HB       ARG  76 -11.723   4.420  -7.843
  630   1HG   ARG  76          2HG       ARG  76 -12.453   2.411  -9.368
  631   2HG   ARG  76          1HG       ARG  76 -13.503   2.005  -8.011
  632   1HD   ARG  76          2HD       ARG  76 -14.970   3.464  -8.980
  633   2HD   ARG  76          1HD       ARG  76 -13.934   4.726  -8.289
  634    HE   ARG  76           HE       ARG  76 -13.837   3.745 -11.096
  635   1HH1  ARG  76          1HH2      ARG  76 -12.596   5.834  -8.590
  636   2HH1  ARG  76          2HH2      ARG  76 -11.709   6.820  -9.696
  637   1HH2  ARG  76          1HH1      ARG  76 -12.684   5.051 -12.516
  638   2HH2  ARG  76          2HH1      ARG  76 -11.762   6.385 -11.910
  639    H    CYS  77           H        CYS  77  -8.588   1.343  -8.367
  640    HA   CYS  77           HA       CYS  77  -8.588   2.420 -11.096
  641   1HB   CYS  77          2HB       CYS  77  -7.607   4.088  -9.216
  642   2HB   CYS  77          1HB       CYS  77  -6.153   3.144  -9.537
  643    H    LEU  78           H        LEU  78  -8.388   0.220 -11.755
  644    HA   LEU  78           HA       LEU  78  -6.017  -1.312 -10.787
  645   1HB   LEU  78          2HB       LEU  78  -8.698  -1.870 -11.889
  646   2HB   LEU  78          1HB       LEU  78  -7.433  -2.913 -12.536
  647    HG   LEU  78           HG       LEU  78  -8.485  -3.861 -10.486
  648   1HD1  LEU  78          1HD1      LEU  78  -5.613  -3.007 -10.019
  649   2HD1  LEU  78          2HD1      LEU  78  -6.093  -4.319 -11.096
  650   3HD1  LEU  78          3HD1      LEU  78  -6.412  -4.437  -9.367
  651   1HD2  LEU  78          1HD2      LEU  78  -8.898  -1.580  -9.445
  652   2HD2  LEU  78          2HD2      LEU  78  -7.182  -1.540  -9.034
  653   3HD2  LEU  78          3HD2      LEU  78  -8.224  -2.786  -8.348
  654    H    GLN  79           H        GLN  79  -4.177  -1.091 -12.002
  655    HA   GLN  79           HA       GLN  79  -4.446  -0.342 -14.889
  656   1HB   GLN  79          2HB       GLN  79  -2.113  -0.168 -12.948
  657   2HB   GLN  79          1HB       GLN  79  -2.119   0.457 -14.595
  658   1HG   GLN  79          2HG       GLN  79  -4.258   1.336 -12.671
  659   2HG   GLN  79          1HG       GLN  79  -2.661   2.078 -12.597
  660   1HE2  GLN  79          1HE2      GLN  79  -2.582   3.969 -13.825
  661   2HE2  GLN  79          2HE2      GLN  79  -3.423   4.224 -15.277
  662    H    TRP  80           H        TRP  80  -2.040  -2.211 -12.965
  663    HA   TRP  80           HA       TRP  80  -2.376  -4.561 -14.719
  664   1HB   TRP  80          2HB       TRP  80  -0.583  -2.469 -15.357
  665   2HB   TRP  80          1HB       TRP  80   0.420  -3.777 -14.730
  666    HD1  TRP  80           HD       TRP  80  -2.048  -2.960 -17.531
  667    HE1  TRP  80           1HE      TRP  80  -1.815  -4.737 -19.385
  668    HE3  TRP  80           3HE      TRP  80   1.149  -6.217 -15.237
  669    HZ2  TRP  80           2HZ      TRP  80  -0.452  -7.211 -19.836
  670    HZ3  TRP  80           3HZ      TRP  80   1.898  -8.272 -16.401
  671    HH2  TRP  80           HH       TRP  80   1.103  -8.773 -18.695
  672    H    THR  81           H        THR  81  -2.915  -4.905 -12.195
  673    HA   THR  81           HA       THR  81  -0.402  -5.733 -10.777
  674    HB   THR  81           HB       THR  81  -1.851  -5.569  -8.743
  675    HG1  THR  81           1HG      THR  81  -3.901  -5.659  -9.137
  676   1HG2  THR  81          1HG2      THR  81  -1.870  -3.190  -8.639
  677   2HG2  THR  81          2HG2      THR  81  -2.074  -3.043 -10.385
  678   3HG2  THR  81          3HG2      THR  81  -0.541  -3.608  -9.721
  679    H    THR  82           H        THR  82  -0.235  -7.882 -10.060
  680    HA   THR  82           HA       THR  82  -1.766  -9.918 -11.418
  681    HB   THR  82           HB       THR  82  -0.483 -11.412  -9.837
  682    HG1  THR  82           1HG      THR  82   0.577 -10.564  -8.203
  683   1HG2  THR  82          1HG2      THR  82   0.532 -10.677 -11.942
  684   2HG2  THR  82          2HG2      THR  82   1.753 -10.742 -10.670
  685   3HG2  THR  82          3HG2      THR  82   1.085  -9.189 -11.173
  686    H    VAL  83           H        VAL  83  -1.985  -8.436  -8.209
  687    HA   VAL  83           HA       VAL  83  -4.301 -10.197  -7.523
  688    HB   VAL  83           HB       VAL  83  -2.346 -10.007  -5.971
  689   1HG1  VAL  83          1HG1      VAL  83  -3.188  -7.095  -5.900
  690   2HG1  VAL  83          2HG1      VAL  83  -1.625  -7.738  -6.400
  691   3HG1  VAL  83          3HG1      VAL  83  -2.117  -7.832  -4.711
  692   1HG2  VAL  83          1HG2      VAL  83  -3.654  -9.927  -4.034
  693   2HG2  VAL  83          2HG2      VAL  83  -4.866 -10.244  -5.274
  694   3HG2  VAL  83          3HG2      VAL  83  -4.654  -8.610  -4.645
  695    H    ILE  84           H        ILE  84  -6.306  -9.213  -6.888
  696    HA   ILE  84           HA       ILE  84  -6.707  -6.457  -7.968
  697    HB   ILE  84           HB       ILE  84  -8.610  -8.711  -7.222
  698   1HG1  ILE  84          2HG1      ILE  84  -8.840  -8.230  -9.928
  699   2HG1  ILE  84          1HG1      ILE  84  -7.117  -7.971  -9.658
  700   1HG2  ILE  84          1HG2      ILE  84  -9.950  -6.810  -7.008
  701   2HG2  ILE  84          2HG2      ILE  84 -10.152  -7.188  -8.718
  702   3HG2  ILE  84          3HG2      ILE  84  -9.042  -5.909  -8.223
  703   1HD1  ILE  84          1HD1      ILE  84  -6.741 -10.162  -9.036
  704   2HD1  ILE  84          2HD1      ILE  84  -8.100 -10.409 -10.133
  705   3HD1  ILE  84          3HD1      ILE  84  -8.370 -10.370  -8.392
  706    H    GLU  85           H        GLU  85  -5.920  -5.247  -6.138
  707    HA   GLU  85           HA       GLU  85  -7.238  -5.715  -3.503
  708   1HB   GLU  85          2HB       GLU  85  -4.880  -4.073  -4.469
  709   2HB   GLU  85          1HB       GLU  85  -5.466  -4.014  -2.808
  710   1HG   GLU  85          2HG       GLU  85  -5.178  -6.521  -2.703
  711   2HG   GLU  85          1HG       GLU  85  -4.389  -6.436  -4.277
  712    H    ARG  86           H        ARG  86  -9.242  -4.692  -3.490
  713    HA   ARG  86           HA       ARG  86  -9.583  -2.023  -4.732
  714   1HB   ARG  86          2HB       ARG  86 -11.242  -3.911  -4.908
  715   2HB   ARG  86          1HB       ARG  86 -11.512  -3.773  -3.170
  716   1HG   ARG  86          2HG       ARG  86 -13.210  -2.405  -3.965
  717   2HG   ARG  86          1HG       ARG  86 -11.917  -1.222  -3.757
  718   1HD   ARG  86          2HD       ARG  86 -11.427  -1.173  -6.081
  719   2HD   ARG  86          1HD       ARG  86 -12.320  -2.676  -6.386
  720    HE   ARG  86           HE       ARG  86 -13.501  -0.016  -6.066
  721   1HH1  ARG  86          1HH2      ARG  86 -13.983  -3.451  -5.776
  722   2HH1  ARG  86          2HH2      ARG  86 -15.700  -3.346  -5.957
  723   1HH2  ARG  86          1HH1      ARG  86 -15.743   0.108  -6.300
  724   2HH2  ARG  86          2HH1      ARG  86 -16.695  -1.338  -6.252
  725    H    THR  87           H        THR  87  -9.970  -3.509  -1.489
  726    HA   THR  87           HA       THR  87  -9.356  -0.840  -0.274
  727    HB   THR  87           HB       THR  87 -11.794  -1.260  -0.268
  728    HG1  THR  87           1HG      THR  87 -12.003  -1.282   2.103
  729   1HG2  THR  87          1HG2      THR  87 -11.082  -3.759   1.298
  730   2HG2  THR  87          2HG2      THR  87 -11.697  -3.730  -0.354
  731   3HG2  THR  87          3HG2      THR  87 -12.714  -3.174   0.974
  732    H    PHE  88           H        PHE  88  -8.040  -0.955   1.563
  733    HA   PHE  88           HA       PHE  88  -7.381  -3.667   2.629
  734   1HB   PHE  88          2HB       PHE  88  -5.130  -3.419   2.158
  735   2HB   PHE  88          1HB       PHE  88  -5.796  -2.480   0.829
  736    HD1  PHE  88           1HD      PHE  88  -4.567  -2.118   4.353
  737    HD2  PHE  88           2HD      PHE  88  -5.128  -0.250   0.527
  738    HE1  PHE  88           1HE      PHE  88  -3.298  -0.142   5.130
  739    HE2  PHE  88           2HE      PHE  88  -3.855   1.731   1.311
  740    HZ   PHE  88           HZ       PHE  88  -2.935   1.780   3.617
  741    H    HIS  89           H        HIS  89  -6.729  -3.650   4.857
  742    HA   HIS  89           HA       HIS  89  -7.583  -1.189   6.328
  743   1HB   HIS  89          2HB       HIS  89  -7.343  -4.126   7.038
  744   2HB   HIS  89          1HB       HIS  89  -7.765  -2.883   8.213
  745    HD1  HIS  89           1HD      HIS  89 -10.103  -4.213   8.375
  746    HD2  HIS  89           2HD      HIS  89  -9.389  -2.281   4.751
  747    HE1  HIS  89           1HE      HIS  89 -12.333  -4.067   7.189
  748    H    VAL  90           H        VAL  90  -6.304  -0.491   8.175
  749    HA   VAL  90           HA       VAL  90  -3.396  -1.151   7.904
  750    HB   VAL  90           HB       VAL  90  -3.106   1.044   9.061
  751   1HG1  VAL  90          1HG1      VAL  90  -3.070   1.100   6.670
  752   2HG1  VAL  90          2HG1      VAL  90  -4.113   2.430   7.173
  753   3HG1  VAL  90          3HG1      VAL  90  -4.823   0.933   6.571
  754   1HG2  VAL  90          1HG2      VAL  90  -5.675   0.659   9.946
  755   2HG2  VAL  90          2HG2      VAL  90  -5.930   1.808   8.632
  756   3HG2  VAL  90          3HG2      VAL  90  -4.843   2.212   9.959
  757    H    ASP  91           H        ASP  91  -2.139  -1.260   9.940
  758    HA   ASP  91           HA       ASP  91  -3.254  -3.051  11.879
  759   1HB   ASP  91          2HB       ASP  91  -0.783  -2.253  11.094
  760   2HB   ASP  91          1HB       ASP  91  -0.927  -1.346  12.599
  761    H    SER  92           H        SER  92  -2.864   0.500  11.906
  762    HA   SER  92           HA       SER  92  -4.705   0.645  14.242
  763   1HB   SER  92          2HB       SER  92  -1.915   0.668  14.473
  764   2HB   SER  92          1HB       SER  92  -2.365   2.367  14.560
  765    HG   SER  92           HG       SER  92  -2.502   1.525  16.611
  766    HA   PRO  93           HA       PRO  93  -6.029   4.418  12.370
  767   1HB   PRO  93          2HB       PRO  93  -6.212   6.182  14.467
  768   2HB   PRO  93          1HB       PRO  93  -7.375   4.867  14.201
  769   1HG   PRO  93          2HG       PRO  93  -5.052   4.989  16.066
  770   2HG   PRO  93          1HG       PRO  93  -6.677   4.336  16.332
  771   1HD   PRO  93          2HD       PRO  93  -4.550   2.757  15.811
  772   2HD   PRO  93          1HD       PRO  93  -6.194   2.343  15.280
  773    H    ASP  94           H        ASP  94  -3.350   4.870  14.690
  774    HA   ASP  94           HA       ASP  94  -2.305   7.304  13.589
  775   1HB   ASP  94          2HB       ASP  94  -0.172   6.442  14.726
  776   2HB   ASP  94          1HB       ASP  94  -1.590   6.568  15.761
  777    H    GLU  95           H        GLU  95  -1.833   3.880  12.738
  778    HA   GLU  95           HA       GLU  95   0.302   4.300  10.827
  779   1HB   GLU  95          2HB       GLU  95  -0.874   2.165  12.055
  780   2HB   GLU  95          1HB       GLU  95  -1.609   2.060  10.454
  781   1HG   GLU  95          2HG       GLU  95   0.839   2.408   9.589
  782   2HG   GLU  95          1HG       GLU  95   1.300   1.894  11.210
  783    H    ARG  96           H        ARG  96  -3.258   4.106  10.545
  784    HA   ARG  96           HA       ARG  96  -3.523   4.221   7.727
  785   1HB   ARG  96          2HB       ARG  96  -5.410   3.840   9.181
  786   2HB   ARG  96          1HB       ARG  96  -5.147   5.363  10.023
  787   1HG   ARG  96          2HG       ARG  96  -5.455   6.342   7.545
  788   2HG   ARG  96          1HG       ARG  96  -6.391   4.861   7.356
  789   1HD   ARG  96          2HD       ARG  96  -8.005   6.402   8.136
  790   2HD   ARG  96          1HD       ARG  96  -7.499   5.584   9.628
  791    HE   ARG  96           HE       ARG  96  -5.927   7.974   8.879
  792   1HH1  ARG  96          1HH2      ARG  96  -8.498   6.586  10.772
  793   2HH1  ARG  96          2HH2      ARG  96  -8.474   7.853  11.948
  794   1HH2  ARG  96          1HH1      ARG  96  -5.917   9.621  10.424
  795   2HH2  ARG  96          2HH1      ARG  96  -7.024   9.567  11.752
  796    H    GLU  97           H        GLU  97  -3.080   6.865  10.083
  797    HA   GLU  97           HA       GLU  97  -3.226   9.005   8.125
  798   1HB   GLU  97          2HB       GLU  97  -2.977   8.629  10.956
  799   2HB   GLU  97          1HB       GLU  97  -1.681   9.707  10.436
  800   1HG   GLU  97          2HG       GLU  97  -4.436  10.176   9.362
  801   2HG   GLU  97          1HG       GLU  97  -4.085  10.669  11.020
  802    H    GLU  98           H        GLU  98  -0.586   7.071   9.526
  803    HA   GLU  98           HA       GLU  98   1.628   8.577   8.518
  804   1HB   GLU  98          2HB       GLU  98   1.167   5.666   9.220
  805   2HB   GLU  98          1HB       GLU  98   2.752   6.275   8.748
  806   1HG   GLU  98          2HG       GLU  98   1.764   8.090  10.679
  807   2HG   GLU  98          1HG       GLU  98   1.428   6.477  11.306
  808    H    TRP  99           H        TRP  99  -0.293   5.925   7.073
  809    HA   TRP  99           HA       TRP  99   1.291   5.641   4.675
  810   1HB   TRP  99          2HB       TRP  99  -1.658   5.115   5.201
  811   2HB   TRP  99          1HB       TRP  99  -0.731   4.458   3.857
  812    HD1  TRP  99           HD       TRP  99  -2.046   3.277   6.883
  813    HE1  TRP  99           1HE      TRP  99  -0.633   1.423   7.966
  814    HE3  TRP  99           3HE      TRP  99   2.349   3.923   4.356
  815    HZ2  TRP  99           2HZ      TRP  99   2.006   0.354   7.797
  816    HZ3  TRP  99           3HZ      TRP  99   4.297   2.467   4.847
  817    HH2  TRP  99           HH       TRP  99   4.129   0.690   6.561
  818    H    MET 100           H        MET 100  -1.745   7.420   5.345
  819    HA   MET 100           HA       MET 100  -2.087   8.627   2.787
  820   1HB   MET 100          2HB       MET 100  -3.496   8.504   5.059
  821   2HB   MET 100          1HB       MET 100  -2.774  10.092   5.310
  822   1HG   MET 100          2HG       MET 100  -3.895   9.610   2.608
  823   2HG   MET 100          1HG       MET 100  -5.072   9.702   3.917
  824   1HE   MET 100          1HE       MET 100  -2.525  12.655   1.878
  825   2HE   MET 100          2HE       MET 100  -4.179  12.399   1.329
  826   3HE   MET 100          3HE       MET 100  -3.095  11.022   1.505
  827    H    ARG 101           H        ARG 101  -0.273   9.720   5.664
  828    HA   ARG 101           HA       ARG 101   0.514  12.296   4.687
  829   1HB   ARG 101          2HB       ARG 101   0.642  11.108   7.034
  830   2HB   ARG 101          1HB       ARG 101   2.225  10.572   6.469
  831   1HG   ARG 101          2HG       ARG 101   2.756  12.592   7.516
  832   2HG   ARG 101          1HG       ARG 101   2.552  13.101   5.839
  833   1HD   ARG 101          2HD       ARG 101   0.353  13.957   6.262
  834   2HD   ARG 101          1HD       ARG 101   0.279  13.175   7.851
  835    HE   ARG 101           HE       ARG 101   1.718  15.646   7.225
  836   1HH1  ARG 101          1HH2      ARG 101   1.496  12.870   9.306
  837   2HH1  ARG 101          2HH2      ARG 101   2.313  13.640  10.621
  838   1HH2  ARG 101          1HH1      ARG 101   2.789  16.641   8.944
  839   2HH2  ARG 101          2HH1      ARG 101   3.045  15.770  10.417
  840    H    ALA 102           H        ALA 102   2.131   9.103   4.506
  841    HA   ALA 102           HA       ALA 102   4.521   9.975   3.191
  842   1HB   ALA 102          1HB       ALA 102   4.754   7.584   2.692
  843   2HB   ALA 102          2HB       ALA 102   3.036   7.332   3.008
  844   3HB   ALA 102          3HB       ALA 102   4.118   7.787   4.326
  845    H    ILE 103           H        ILE 103   1.420   8.751   1.874
  846    HA   ILE 103           HA       ILE 103   2.106   8.757  -0.888
  847    HB   ILE 103           HB       ILE 103  -0.507   9.308   0.569
  848   1HG1  ILE 103          2HG1      ILE 103   0.280   6.755  -0.828
  849   2HG1  ILE 103          1HG1      ILE 103   0.827   7.067   0.820
  850   1HG2  ILE 103          1HG2      ILE 103  -1.626   8.730  -1.529
  851   2HG2  ILE 103          2HG2      ILE 103  -0.069   8.488  -2.322
  852   3HG2  ILE 103          3HG2      ILE 103  -0.551  10.102  -1.796
  853   1HD1  ILE 103          1HD1      ILE 103  -1.715   7.662   1.222
  854   2HD1  ILE 103          2HD1      ILE 103  -1.187   5.980   1.231
  855   3HD1  ILE 103          3HD1      ILE 103  -1.961   6.654  -0.203
  856    H    GLN 104           H        GLN 104   0.776  11.371   1.167
  857    HA   GLN 104           HA       GLN 104   0.581  13.346  -0.931
  858   1HB   GLN 104          2HB       GLN 104  -0.293  13.108   1.614
  859   2HB   GLN 104          1HB       GLN 104   1.110  14.140   1.897
  860   1HG   GLN 104          2HG       GLN 104  -0.869  14.790  -0.285
  861   2HG   GLN 104          1HG       GLN 104  -1.163  15.289   1.380
  862   1HE2  GLN 104          1HE2      GLN 104   0.122  16.441  -1.457
  863   2HE2  GLN 104          2HE2      GLN 104   1.245  17.547  -0.829
  864    H    MET 105           H        MET 105   3.118  12.641   1.500
  865    HA   MET 105           HA       MET 105   4.890  14.785   0.743
  866   1HB   MET 105          2HB       MET 105   5.140  12.146   2.192
  867   2HB   MET 105          1HB       MET 105   6.556  13.161   1.921
  868   1HG   MET 105          2HG       MET 105   5.601  14.980   3.157
  869   2HG   MET 105          1HG       MET 105   4.020  14.199   3.206
  870   1HE   MET 105          1HE       MET 105   4.065  14.648   5.954
  871   2HE   MET 105          2HE       MET 105   5.559  15.470   5.513
  872   3HE   MET 105          3HE       MET 105   5.550  14.339   6.864
  873    H    VAL 106           H        VAL 106   4.725  11.344  -0.225
  874    HA   VAL 106           HA       VAL 106   7.016  11.465  -1.998
  875    HB   VAL 106           HB       VAL 106   4.633   9.593  -1.759
  876   1HG1  VAL 106          1HG1      VAL 106   6.951   9.644  -3.630
  877   2HG1  VAL 106          2HG1      VAL 106   5.335   8.975  -3.858
  878   3HG1  VAL 106          3HG1      VAL 106   6.536   8.083  -2.924
  879   1HG2  VAL 106          1HG2      VAL 106   6.046   8.230  -0.432
  880   2HG2  VAL 106          2HG2      VAL 106   6.377   9.864   0.142
  881   3HG2  VAL 106          3HG2      VAL 106   7.501   9.073  -0.963
  882    H    ALA 107           H        ALA 107   3.530  12.021  -2.378
  883    HA   ALA 107           HA       ALA 107   3.331  12.058  -5.212
  884   1HB   ALA 107          1HB       ALA 107   1.470  13.810  -4.556
  885   2HB   ALA 107          2HB       ALA 107   1.911  13.365  -2.908
  886   3HB   ALA 107          3HB       ALA 107   1.317  12.135  -4.024
  887    H    ASN 108           H        ASN 108   4.500  14.540  -2.941
  888    HA   ASN 108           HA       ASN 108   4.549  16.800  -4.670
  889   1HB   ASN 108          2HB       ASN 108   6.018  15.831  -2.251
  890   2HB   ASN 108          1HB       ASN 108   6.700  17.211  -3.110
  891   1HD2  ASN 108          1HD2      ASN 108   4.204  16.232  -0.911
  892   2HD2  ASN 108          2HD2      ASN 108   3.399  17.724  -0.836
  893    H    SER 109           H        SER 109   6.967  14.205  -4.204
  894    HA   SER 109           HA       SER 109   8.717  15.316  -6.314
  895   1HB   SER 109          2HB       SER 109   9.360  14.136  -4.083
  896   2HB   SER 109          1HB       SER 109   8.972  12.642  -4.933
  897    HG   SER 109           HG       SER 109  11.232  13.808  -5.008
  898    H    LEU 110           H        LEU 110   6.321  12.758  -5.891
  899    HA   LEU 110           HA       LEU 110   6.912  11.160  -8.196
  900   1HB   LEU 110          2HB       LEU 110   5.430  10.594  -6.255
  901   2HB   LEU 110          1HB       LEU 110   4.257  11.769  -6.845
  902    HG   LEU 110           HG       LEU 110   4.909  10.105  -9.050
  903   1HD1  LEU 110          1HD1      LEU 110   5.699   8.598  -7.068
  904   2HD1  LEU 110          2HD1      LEU 110   4.653   7.897  -8.302
  905   3HD1  LEU 110          3HD1      LEU 110   3.975   8.398  -6.753
  906   1HD2  LEU 110          1HD2      LEU 110   2.743  11.277  -8.433
  907   2HD2  LEU 110          2HD2      LEU 110   2.456   9.979  -7.275
  908   3HD2  LEU 110          3HD2      LEU 110   2.552   9.618  -8.999
  909    H    LYS 111           H        LYS 111   4.665  13.917  -7.749
  910    HA   LYS 111           HA       LYS 111   3.677  15.386  -9.304
  911   1HB   LYS 111          2HB       LYS 111   5.997  14.447 -11.023
  912   2HB   LYS 111          1HB       LYS 111   5.126  15.973 -11.176
  913   1HG   LYS 111          2HG       LYS 111   5.919  15.934  -8.504
  914   2HG   LYS 111          1HG       LYS 111   7.302  15.256  -9.361
  915   1HD   LYS 111          2HD       LYS 111   7.828  17.472  -9.626
  916   2HD   LYS 111          1HD       LYS 111   6.746  17.313 -11.010
  917   1HE   LYS 111          2HE       LYS 111   5.238  17.838  -8.570
  918   2HE   LYS 111          1HE       LYS 111   6.433  19.112  -8.881
  919   1HZ   LYS 111          1HZ       LYS 111   4.479  18.030 -10.846
  920   2HZ   LYS 111          2HZ       LYS 111   5.671  19.192 -11.191
  921   3HZ   LYS 111          3HZ       LYS 111   4.410  19.559 -10.113
  Start of MODEL    2
    1   1H    MET   1          1H        MET   1  19.354   2.382 -11.528
    2   2H    MET   1          2H        MET   1  20.296   1.325 -12.464
    3   3H    MET   1          3H        MET   1  19.706   0.828 -10.949
    4    HA   MET   1           HA       MET   1  17.916   1.556 -13.210
    5   1HB   MET   1          2HB       MET   1  19.552  -0.843 -12.610
    6   2HB   MET   1          1HB       MET   1  17.863  -1.174 -12.995
    7   1HG   MET   1          2HG       MET   1  18.549  -1.063 -15.158
    8   2HG   MET   1          1HG       MET   1  18.508   0.682 -14.913
    9   1HE   MET   1          1HE       MET   1  22.014  -2.055 -15.603
   10   2HE   MET   1          2HE       MET   1  20.495  -1.901 -16.481
   11   3HE   MET   1          3HE       MET   1  20.495  -2.549 -14.843
   12    H    ASN   2           H        ASN   2  16.067   2.139 -12.127
   13    HA   ASN   2           HA       ASN   2  14.304   2.116 -10.560
   14   1HB   ASN   2          2HB       ASN   2  14.755  -0.441 -11.716
   15   2HB   ASN   2          1HB       ASN   2  14.362  -0.721 -10.020
   16   1HD2  ASN   2          1HD2      ASN   2  12.464   1.090  -9.356
   17   2HD2  ASN   2          2HD2      ASN   2  11.127   1.023 -10.401
   18    H    GLU   3           H        GLU   3  16.320   3.050  -9.179
   19    HA   GLU   3           HA       GLU   3  16.758   1.303  -6.786
   20   1HB   GLU   3          2HB       GLU   3  18.619   2.968  -6.358
   21   2HB   GLU   3          1HB       GLU   3  18.788   2.066  -7.861
   22   1HG   GLU   3          2HG       GLU   3  17.250   4.566  -8.142
   23   2HG   GLU   3          1HG       GLU   3  18.927   4.808  -7.654
   24    H    VAL   4           H        VAL   4  14.243   2.273  -6.785
   25    HA   VAL   4           HA       VAL   4  13.932   4.911  -5.606
   26    HB   VAL   4           HB       VAL   4  12.171   2.450  -5.831
   27   1HG1  VAL   4          1HG1      VAL   4  10.352   3.665  -4.996
   28   2HG1  VAL   4          2HG1      VAL   4  11.148   5.219  -5.246
   29   3HG1  VAL   4          3HG1      VAL   4  11.657   4.169  -3.924
   30   1HG2  VAL   4          1HG2      VAL   4  12.130   5.097  -7.316
   31   2HG2  VAL   4          2HG2      VAL   4  11.124   3.687  -7.652
   32   3HG2  VAL   4          3HG2      VAL   4  12.862   3.619  -7.941
   33    H    SER   5           H        SER   5  13.749   5.459  -3.427
   34    HA   SER   5           HA       SER   5  14.744   3.487  -1.453
   35   1HB   SER   5          2HB       SER   5  14.716   5.602  -0.025
   36   2HB   SER   5          1HB       SER   5  15.735   5.677  -1.460
   37    HG   SER   5           HG       SER   5  14.335   7.517  -1.170
   38    H    VAL   6           H        VAL   6  13.604   3.427   0.723
   39    HA   VAL   6           HA       VAL   6  10.679   3.111   0.309
   40    HB   VAL   6           HB       VAL   6  12.637   2.334   2.493
   41   1HG1  VAL   6          1HG1      VAL   6  10.548   2.724   3.606
   42   2HG1  VAL   6          2HG1      VAL   6  10.658   0.983   3.354
   43   3HG1  VAL   6          3HG1      VAL   6   9.637   1.962   2.302
   44   1HG2  VAL   6          1HG2      VAL   6  12.204   0.064   1.697
   45   2HG2  VAL   6          2HG2      VAL   6  12.711   1.065   0.336
   46   3HG2  VAL   6          3HG2      VAL   6  11.006   0.665   0.550
   47    H    ILE   7           H        ILE   7   9.163   4.408   1.341
   48    HA   ILE   7           HA       ILE   7  10.197   6.796   2.791
   49    HB   ILE   7           HB       ILE   7   7.810   6.051   1.158
   50   1HG1  ILE   7          2HG1      ILE   7   8.191   8.293   0.243
   51   2HG1  ILE   7          1HG1      ILE   7   9.369   8.633   1.508
   52   1HG2  ILE   7          1HG2      ILE   7   7.727   8.040   3.438
   53   2HG2  ILE   7          2HG2      ILE   7   6.612   6.712   3.122
   54   3HG2  ILE   7          3HG2      ILE   7   6.624   8.123   2.065
   55   1HD1  ILE   7          1HD1      ILE   7  10.924   7.077   0.637
   56   2HD1  ILE   7          2HD1      ILE   7  10.277   7.882  -0.790
   57   3HD1  ILE   7          3HD1      ILE   7   9.700   6.276  -0.346
   58    H    LYS   8           H        LYS   8   7.870   4.099   3.204
   59    HA   LYS   8           HA       LYS   8   8.225   4.255   6.127
   60   1HB   LYS   8          2HB       LYS   8   6.159   5.691   4.792
   61   2HB   LYS   8          1HB       LYS   8   5.390   4.345   5.632
   62   1HG   LYS   8          2HG       LYS   8   7.442   6.053   7.031
   63   2HG   LYS   8          1HG       LYS   8   5.757   6.562   6.944
   64   1HD   LYS   8          2HD       LYS   8   5.003   4.647   8.137
   65   2HD   LYS   8          1HD       LYS   8   6.543   3.812   7.923
   66   1HE   LYS   8          2HE       LYS   8   7.652   5.207   9.494
   67   2HE   LYS   8          1HE       LYS   8   6.368   6.428   9.439
   68   1HZ   LYS   8          1HZ       LYS   8   6.227   3.692  10.578
   69   2HZ   LYS   8          2HZ       LYS   8   4.837   4.610  10.245
   70   3HZ   LYS   8          3HZ       LYS   8   5.973   5.165  11.378
   71    H    GLU   9           H        GLU   9   7.888   2.253   7.040
   72    HA   GLU   9           HA       GLU   9   6.547   0.137   5.372
   73   1HB   GLU   9          2HB       GLU   9   8.903  -0.099   7.282
   74   2HB   GLU   9          1HB       GLU   9   8.225  -1.404   6.313
   75   1HG   GLU   9          2HG       GLU   9   8.697   0.341   4.335
   76   2HG   GLU   9          1HG       GLU   9   9.923   0.899   5.470
   77    H    GLY  10           H        GLY  10   5.083  -1.201   6.505
   78   1HA   GLY  10          2HA       GLY  10   5.019  -1.323   9.408
   79   2HA   GLY  10          1HA       GLY  10   3.737  -0.299   8.773
   80    H    TRP  11           H        TRP  11   2.928  -2.495  10.131
   81    HA   TRP  11           HA       TRP  11   2.414  -4.688   8.189
   82   1HB   TRP  11          2HB       TRP  11   2.148  -4.233  11.149
   83   2HB   TRP  11          1HB       TRP  11   1.243  -5.546  10.395
   84    HD1  TRP  11           HD       TRP  11   4.764  -4.424  11.247
   85    HE1  TRP  11           1HE      TRP  11   6.390  -6.386  10.857
   86    HE3  TRP  11           3HE      TRP  11   1.622  -7.728   8.954
   87    HZ2  TRP  11           2HZ      TRP  11   6.360  -9.007   9.715
   88    HZ3  TRP  11           3HZ      TRP  11   2.445  -9.948   8.221
   89    HH2  TRP  11           HH       TRP  11   4.812 -10.590   8.598
   90    H    LEU  12           H        LEU  12   0.532  -4.731   7.039
   91    HA   LEU  12           HA       LEU  12  -1.812  -3.164   8.080
   92   1HB   LEU  12          2HB       LEU  12  -0.874  -3.533   5.214
   93   2HB   LEU  12          1HB       LEU  12  -2.224  -2.530   5.745
   94    HG   LEU  12           HG       LEU  12   0.649  -2.131   6.640
   95   1HD1  LEU  12          1HD1      LEU  12  -0.439   0.003   5.030
   96   2HD1  LEU  12          2HD1      LEU  12  -0.512  -1.518   4.140
   97   3HD1  LEU  12          3HD1      LEU  12   1.028  -0.939   4.775
   98   1HD2  LEU  12          1HD2      LEU  12  -1.169   0.136   6.809
   99   2HD2  LEU  12          2HD2      LEU  12  -0.169  -0.586   8.068
  100   3HD2  LEU  12          3HD2      LEU  12  -1.773  -1.237   7.735
  101    H    HIS  13           H        HIS  13  -3.924  -4.035   7.381
  102    HA   HIS  13           HA       HIS  13  -3.828  -7.000   7.091
  103   1HB   HIS  13          2HB       HIS  13  -5.603  -4.962   8.314
  104   2HB   HIS  13          1HB       HIS  13  -6.414  -6.371   7.631
  105    HD1  HIS  13           1HD      HIS  13  -6.672  -8.204   9.294
  106    HD2  HIS  13           2HD      HIS  13  -3.201  -5.998   9.984
  107    HE1  HIS  13           1HE      HIS  13  -5.563  -9.226  11.328
  108    H    LYS  14           H        LYS  14  -4.467  -7.973   5.245
  109    HA   LYS  14           HA       LYS  14  -6.043  -6.404   3.225
  110   1HB   LYS  14          2HB       LYS  14  -3.462  -7.061   2.956
  111   2HB   LYS  14          1HB       LYS  14  -4.155  -8.605   2.458
  112   1HG   LYS  14          2HG       LYS  14  -5.307  -6.103   1.284
  113   2HG   LYS  14          1HG       LYS  14  -3.738  -6.649   0.695
  114   1HD   LYS  14          2HD       LYS  14  -4.655  -8.372  -0.448
  115   2HD   LYS  14          1HD       LYS  14  -5.658  -8.844   0.925
  116   1HE   LYS  14          2HE       LYS  14  -7.232  -6.967   0.360
  117   2HE   LYS  14          1HE       LYS  14  -6.270  -6.657  -1.097
  118   1HZ   LYS  14          1HZ       LYS  14  -8.193  -8.235  -1.394
  119   2HZ   LYS  14          2HZ       LYS  14  -7.350  -9.341  -0.415
  120   3HZ   LYS  14          3HZ       LYS  14  -6.685  -8.828  -1.897
  121    H    ARG  15           H        ARG  15  -7.865  -7.501   2.435
  122    HA   ARG  15           HA       ARG  15  -8.780  -9.885   3.790
  123   1HB   ARG  15          2HB       ARG  15 -10.241  -8.107   2.878
  124   2HB   ARG  15          1HB       ARG  15  -9.735  -8.536   1.245
  125   1HG   ARG  15          2HG       ARG  15 -11.337 -10.113   1.171
  126   2HG   ARG  15          1HG       ARG  15 -10.580 -10.935   2.535
  127   1HD   ARG  15          2HD       ARG  15 -12.705 -10.475   3.409
  128   2HD   ARG  15          1HD       ARG  15 -11.809  -9.045   3.944
  129    HE   ARG  15           HE       ARG  15 -12.978  -7.752   2.343
  130   1HH1  ARG  15          1HH2      ARG  15 -13.361 -11.155   1.703
  131   2HH1  ARG  15          2HH2      ARG  15 -14.619 -10.908   0.539
  132   1HH2  ARG  15          1HH1      ARG  15 -14.623  -7.456   0.830
  133   2HH2  ARG  15          2HH1      ARG  15 -15.326  -8.830   0.045
  134    H    GLY  16           H        GLY  16  -8.770 -12.039   3.070
  135   1HA   GLY  16          2HA       GLY  16  -6.732 -12.794   1.158
  136   2HA   GLY  16          1HA       GLY  16  -7.849 -13.897   1.960
  137    H    GLU  17           H        GLU  17  -9.962 -14.223   0.998
  138    HA   GLU  17           HA       GLU  17 -10.142 -13.358  -1.870
  139   1HB   GLU  17          2HB       GLU  17 -10.942 -15.657  -2.338
  140   2HB   GLU  17          1HB       GLU  17  -9.341 -15.679  -1.605
  141   1HG   GLU  17          2HG       GLU  17 -11.592 -15.778   0.315
  142   2HG   GLU  17          1HG       GLU  17 -11.436 -17.192  -0.725
  143    H    TYR  18           H        TYR  18 -12.712 -15.140  -1.805
  144    HA   TYR  18           HA       TYR  18 -14.633 -13.077  -1.491
  145   1HB   TYR  18          2HB       TYR  18 -16.225 -14.849  -1.820
  146   2HB   TYR  18          1HB       TYR  18 -14.791 -15.274  -2.749
  147    HD1  TYR  18           1HD      TYR  18 -16.741 -16.004   0.312
  148    HD2  TYR  18           2HD      TYR  18 -13.409 -17.172  -2.136
  149    HE1  TYR  18           1HE      TYR  18 -16.588 -18.151   1.542
  150    HE2  TYR  18           2HE      TYR  18 -13.256 -19.318  -0.903
  151    HH   TYR  18           HH       TYR  18 -14.021 -20.066   1.596
  152    H    ILE  19           H        ILE  19 -13.194 -15.154   0.948
  153    HA   ILE  19           HA       ILE  19 -15.247 -14.984   2.950
  154    HB   ILE  19           HB       ILE  19 -13.178 -16.507   2.766
  155   1HG1  ILE  19          2HG1      ILE  19 -13.499 -15.171   5.463
  156   2HG1  ILE  19          1HG1      ILE  19 -14.742 -16.221   4.780
  157   1HG2  ILE  19          1HG2      ILE  19 -11.088 -15.742   3.500
  158   2HG2  ILE  19          2HG2      ILE  19 -11.778 -14.346   4.327
  159   3HG2  ILE  19          3HG2      ILE  19 -11.679 -14.368   2.567
  160   1HD1  ILE  19          1HD1      ILE  19 -13.266 -17.519   6.245
  161   2HD1  ILE  19          2HD1      ILE  19 -11.859 -16.994   5.320
  162   3HD1  ILE  19          3HD1      ILE  19 -13.065 -18.041   4.572
  163    H    LYS  20           H        LYS  20 -15.343 -13.550   4.808
  164    HA   LYS  20           HA       LYS  20 -14.348 -10.815   4.218
  165   1HB   LYS  20          2HB       LYS  20 -16.747 -11.779   5.017
  166   2HB   LYS  20          1HB       LYS  20 -16.036 -11.431   6.593
  167   1HG   LYS  20          2HG       LYS  20 -15.649  -9.306   4.576
  168   2HG   LYS  20          1HG       LYS  20 -17.327  -9.577   5.045
  169   1HD   LYS  20          2HD       LYS  20 -15.160  -9.330   7.128
  170   2HD   LYS  20          1HD       LYS  20 -15.927  -7.896   6.447
  171   1HE   LYS  20          2HE       LYS  20 -17.727 -10.093   7.404
  172   2HE   LYS  20          1HE       LYS  20 -16.932  -9.081   8.625
  173   1HZ   LYS  20          1HZ       LYS  20 -19.155  -8.295   7.543
  174   2HZ   LYS  20          2HZ       LYS  20 -18.148  -7.802   6.267
  175   3HZ   LYS  20          3HZ       LYS  20 -17.912  -7.176   7.829
  176    H    THR  21           H        THR  21 -12.131 -12.115   4.848
  177    HA   THR  21           HA       THR  21 -11.596 -11.417   7.717
  178    HB   THR  21           HB       THR  21 -10.336 -13.714   6.195
  179    HG1  THR  21           1HG      THR  21 -11.872 -15.026   7.061
  180   1HG2  THR  21          1HG2      THR  21  -9.198 -12.804   8.234
  181   2HG2  THR  21          2HG2      THR  21  -9.700 -14.486   8.403
  182   3HG2  THR  21          3HG2      THR  21 -10.643 -13.204   9.164
  183    H    TRP  22           H        TRP  22  -9.623 -10.330   8.045
  184    HA   TRP  22           HA       TRP  22  -8.044  -9.699   5.569
  185   1HB   TRP  22          2HB       TRP  22  -8.426  -8.057   8.099
  186   2HB   TRP  22          1HB       TRP  22  -7.631  -7.526   6.619
  187    HD1  TRP  22           HD       TRP  22 -11.092  -8.571   7.917
  188    HE1  TRP  22           1HE      TRP  22 -12.893  -7.489   6.432
  189    HE3  TRP  22           3HE      TRP  22  -8.126  -6.417   4.369
  190    HZ2  TRP  22           2HZ      TRP  22 -13.060  -5.920   4.055
  191    HZ3  TRP  22           3HZ      TRP  22  -9.132  -5.139   2.501
  192    HH2  TRP  22           HH       TRP  22 -11.595  -4.888   2.338
  193    H    ARG  23           H        ARG  23  -5.927 -10.339   5.612
  194    HA   ARG  23           HA       ARG  23  -4.819 -11.425   8.161
  195   1HB   ARG  23          2HB       ARG  23  -4.209 -11.735   5.213
  196   2HB   ARG  23          1HB       ARG  23  -3.126 -12.364   6.457
  197   1HG   ARG  23          2HG       ARG  23  -4.565 -14.035   7.059
  198   2HG   ARG  23          1HG       ARG  23  -5.994 -13.031   6.808
  199   1HD   ARG  23          2HD       ARG  23  -6.321 -14.213   4.896
  200   2HD   ARG  23          1HD       ARG  23  -4.923 -13.344   4.235
  201    HE   ARG  23           HE       ARG  23  -3.796 -15.379   5.763
  202   1HH1  ARG  23          1HH2      ARG  23  -6.083 -15.200   3.146
  203   2HH1  ARG  23          2HH2      ARG  23  -5.655 -16.749   2.508
  204   1HH2  ARG  23          1HH1      ARG  23  -3.248 -17.399   4.923
  205   2HH2  ARG  23          2HH1      ARG  23  -4.056 -17.992   3.510
  206    HA   PRO  24           HA       PRO  24  -2.075  -7.972   8.479
  207   1HB   PRO  24          2HB       PRO  24  -0.222  -9.080  10.161
  208   2HB   PRO  24          1HB       PRO  24  -1.827  -8.555  10.704
  209   1HG   PRO  24          2HG       PRO  24  -0.838 -11.291  10.094
  210   2HG   PRO  24          1HG       PRO  24  -1.947 -10.747  11.361
  211   1HD   PRO  24          2HD       PRO  24  -2.750 -11.967   9.048
  212   2HD   PRO  24          1HD       PRO  24  -3.768 -10.858   9.992
  213    H    ARG  25           H        ARG  25  -0.607  -7.368   6.951
  214    HA   ARG  25           HA       ARG  25   1.529  -9.300   6.110
  215   1HB   ARG  25          2HB       ARG  25  -0.404  -7.642   4.471
  216   2HB   ARG  25          1HB       ARG  25   1.103  -8.250   3.784
  217   1HG   ARG  25          2HG       ARG  25  -0.080 -10.426   5.156
  218   2HG   ARG  25          1HG       ARG  25  -1.371  -9.663   4.229
  219   1HD   ARG  25          2HD       ARG  25   1.023  -9.787   2.612
  220   2HD   ARG  25          1HD       ARG  25   0.625 -11.402   3.231
  221    HE   ARG  25           HE       ARG  25  -1.831 -10.393   2.470
  222   1HH1  ARG  25          1HH2      ARG  25   1.246 -10.820   0.910
  223   2HH1  ARG  25          2HH2      ARG  25   0.557 -10.957  -0.671
  224   1HH2  ARG  25          1HH1      ARG  25  -2.718 -10.578   0.417
  225   2HH2  ARG  25          2HH1      ARG  25  -1.683 -10.816  -0.951
  226    H    TYR  26           H        TYR  26   3.547  -8.300   5.739
  227    HA   TYR  26           HA       TYR  26   3.961  -5.657   6.895
  228   1HB   TYR  26          2HB       TYR  26   5.496  -7.699   6.912
  229   2HB   TYR  26          1HB       TYR  26   5.846  -7.347   5.222
  230    HD1  TYR  26           1HD      TYR  26   7.863  -6.253   4.896
  231    HD2  TYR  26           2HD      TYR  26   5.538  -5.335   8.391
  232    HE1  TYR  26           1HE      TYR  26   9.579  -4.611   5.606
  233    HE2  TYR  26           2HE      TYR  26   7.252  -3.689   9.098
  234    HH   TYR  26           HH       TYR  26   9.846  -2.709   7.013
  235    H    PHE  27           H        PHE  27   2.971  -4.032   5.645
  236    HA   PHE  27           HA       PHE  27   3.577  -3.952   2.721
  237   1HB   PHE  27          2HB       PHE  27   1.351  -3.244   4.476
  238   2HB   PHE  27          1HB       PHE  27   1.773  -1.925   3.386
  239    HD1  PHE  27           1HD      PHE  27   1.956  -2.406   0.889
  240    HD2  PHE  27           2HD      PHE  27   0.213  -5.168   3.679
  241    HE1  PHE  27           1HE      PHE  27   0.835  -3.585  -0.982
  242    HE2  PHE  27           2HE      PHE  27  -0.906  -6.350   1.807
  243    HZ   PHE  27           HZ       PHE  27  -0.595  -5.558  -0.524
  244    H    LEU  28           H        LEU  28   4.918  -2.377   1.920
  245    HA   LEU  28           HA       LEU  28   5.643  -0.080   3.713
  246   1HB   LEU  28          2HB       LEU  28   7.991  -0.402   2.876
  247   2HB   LEU  28          1HB       LEU  28   7.399  -1.762   3.827
  248    HG   LEU  28           HG       LEU  28   6.674  -2.201   1.091
  249   1HD1  LEU  28          1HD1      LEU  28   9.656  -2.007   1.329
  250   2HD1  LEU  28          2HD1      LEU  28   8.739  -0.556   0.926
  251   3HD1  LEU  28          3HD1      LEU  28   8.646  -1.974  -0.116
  252   1HD2  LEU  28          1HD2      LEU  28   6.970  -4.020   2.622
  253   2HD2  LEU  28          2HD2      LEU  28   8.597  -3.487   3.044
  254   3HD2  LEU  28          3HD2      LEU  28   8.277  -4.161   1.446
  255    H    LEU  29           H        LEU  29   5.696   1.896   2.676
  256    HA   LEU  29           HA       LEU  29   5.042   1.920  -0.242
  257   1HB   LEU  29          2HB       LEU  29   3.965   3.210   1.927
  258   2HB   LEU  29          1HB       LEU  29   5.082   4.433   1.325
  259    HG   LEU  29           HG       LEU  29   2.932   3.032  -0.298
  260   1HD1  LEU  29          1HD1      LEU  29   2.068   4.730   1.273
  261   2HD1  LEU  29          2HD1      LEU  29   1.917   5.278  -0.396
  262   3HD1  LEU  29          3HD1      LEU  29   3.209   5.909   0.626
  263   1HD2  LEU  29          1HD2      LEU  29   5.080   5.036  -1.028
  264   2HD2  LEU  29          2HD2      LEU  29   3.620   4.836  -1.997
  265   3HD2  LEU  29          3HD2      LEU  29   4.735   3.485  -1.794
  266    H    LYS  30           H        LYS  30   6.625   2.435  -1.678
  267    HA   LYS  30           HA       LYS  30   9.218   3.500  -0.689
  268   1HB   LYS  30          2HB       LYS  30   8.179   2.125  -3.160
  269   2HB   LYS  30          1HB       LYS  30   9.735   2.953  -3.205
  270   1HG   LYS  30          2HG       LYS  30   9.662   1.407  -0.810
  271   2HG   LYS  30          1HG       LYS  30   9.135   0.365  -2.133
  272   1HD   LYS  30          2HD       LYS  30  11.504   2.110  -2.632
  273   2HD   LYS  30          1HD       LYS  30  11.731   0.724  -1.566
  274   1HE   LYS  30          2HE       LYS  30  10.763  -0.759  -3.333
  275   2HE   LYS  30          1HE       LYS  30  10.665   0.647  -4.413
  276   1HZ   LYS  30          1HZ       LYS  30  12.762  -0.567  -4.702
  277   2HZ   LYS  30          2HZ       LYS  30  13.141  -0.310  -3.066
  278   3HZ   LYS  30          3HZ       LYS  30  13.029   1.009  -4.133
  279    H    SER  31           H        SER  31  10.297   5.024  -2.446
  280    HA   SER  31           HA       SER  31   8.710   7.466  -2.584
  281   1HB   SER  31          2HB       SER  31  11.283   7.022  -2.293
  282   2HB   SER  31          1HB       SER  31  11.291   6.968  -4.053
  283    HG   SER  31           HG       SER  31  10.286   9.043  -4.013
  284    H    ASP  32           H        ASP  32   8.713   4.731  -4.558
  285    HA   ASP  32           HA       ASP  32   8.441   6.124  -7.145
  286   1HB   ASP  32          2HB       ASP  32   9.515   3.835  -6.639
  287   2HB   ASP  32          1HB       ASP  32   7.870   3.230  -6.460
  288    H    GLY  33           H        GLY  33   6.387   5.567  -4.509
  289   1HA   GLY  33          2HA       GLY  33   4.071   6.037  -4.353
  290   2HA   GLY  33          1HA       GLY  33   4.013   6.189  -6.112
  291    H    SER  34           H        SER  34   5.314   3.462  -4.258
  292    HA   SER  34           HA       SER  34   3.044   1.764  -5.217
  293   1HB   SER  34          2HB       SER  34   5.041   1.704  -6.748
  294   2HB   SER  34          1HB       SER  34   6.003   1.105  -5.400
  295    HG   SER  34           HG       SER  34   3.764  -0.111  -6.656
  296    H    PHE  35           H        PHE  35   2.262   0.561  -3.557
  297    HA   PHE  35           HA       PHE  35   3.787   0.358  -1.014
  298   1HB   PHE  35          2HB       PHE  35   1.095   0.695  -1.809
  299   2HB   PHE  35          1HB       PHE  35   1.175  -0.922  -1.116
  300    HD1  PHE  35           1HD      PHE  35   0.283   2.213  -0.255
  301    HD2  PHE  35           2HD      PHE  35   3.061  -0.802   1.028
  302    HE1  PHE  35           1HE      PHE  35   0.289   3.189   2.022
  303    HE2  PHE  35           2HE      PHE  35   3.068   0.176   3.307
  304    HZ   PHE  35           HZ       PHE  35   1.680   2.170   3.801
  305    H    ILE  36           H        ILE  36   4.987  -1.497  -0.654
  306    HA   ILE  36           HA       ILE  36   4.373  -3.917  -2.304
  307    HB   ILE  36           HB       ILE  36   6.765  -2.723  -0.941
  308   1HG1  ILE  36          2HG1      ILE  36   7.791  -3.570  -3.126
  309   2HG1  ILE  36          1HG1      ILE  36   6.154  -4.002  -3.617
  310   1HG2  ILE  36          1HG2      ILE  36   6.910  -4.876   0.051
  311   2HG2  ILE  36          2HG2      ILE  36   7.931  -4.980  -1.383
  312   3HG2  ILE  36          3HG2      ILE  36   6.311  -5.675  -1.403
  313   1HD1  ILE  36          1HD1      ILE  36   6.775  -1.224  -2.627
  314   2HD1  ILE  36          2HD1      ILE  36   5.436  -1.760  -3.642
  315   3HD1  ILE  36          3HD1      ILE  36   7.066  -1.667  -4.309
  316    H    GLY  37           H        GLY  37   3.290  -5.535  -1.325
  317   1HA   GLY  37          2HA       GLY  37   3.099  -5.594   1.640
  318   2HA   GLY  37          1HA       GLY  37   2.005  -6.413   0.527
  319    H    TYR  38           H        TYR  38   4.157  -7.112   2.776
  320    HA   TYR  38           HA       TYR  38   5.367  -9.442   1.314
  321   1HB   TYR  38          2HB       TYR  38   6.301  -7.453   3.272
  322   2HB   TYR  38          1HB       TYR  38   6.694  -9.105   3.732
  323    HD1  TYR  38           1HD      TYR  38   7.954  -6.352   2.080
  324    HD2  TYR  38           2HD      TYR  38   7.452 -10.582   1.527
  325    HE1  TYR  38           1HE      TYR  38   9.844  -6.365   0.475
  326    HE2  TYR  38           2HE      TYR  38   9.342 -10.593  -0.079
  327    HH   TYR  38           HH       TYR  38  10.399  -8.579  -1.690
  328    H    LYS  39           H        LYS  39   4.917 -11.498   2.144
  329    HA   LYS  39           HA       LYS  39   2.706 -11.933   3.921
  330   1HB   LYS  39          2HB       LYS  39   4.363 -13.402   2.204
  331   2HB   LYS  39          1HB       LYS  39   4.675 -14.099   3.794
  332   1HG   LYS  39          2HG       LYS  39   2.655 -15.097   3.847
  333   2HG   LYS  39          1HG       LYS  39   1.834 -13.606   3.390
  334   1HD   LYS  39          2HD       LYS  39   1.361 -14.887   1.524
  335   2HD   LYS  39          1HD       LYS  39   2.889 -14.172   1.007
  336   1HE   LYS  39          2HE       LYS  39   4.107 -16.177   1.793
  337   2HE   LYS  39          1HE       LYS  39   2.573 -16.900   2.319
  338   1HZ   LYS  39          1HZ       LYS  39   3.134 -17.633   0.082
  339   2HZ   LYS  39          2HZ       LYS  39   3.224 -16.023  -0.451
  340   3HZ   LYS  39          3HZ       LYS  39   1.736 -16.673   0.050
  341    H    GLU  40           H        GLU  40   6.228 -12.095   4.423
  342    HA   GLU  40           HA       GLU  40   5.811 -11.722   7.363
  343   1HB   GLU  40          2HB       GLU  40   7.196 -13.897   5.838
  344   2HB   GLU  40          1HB       GLU  40   7.943 -13.363   7.343
  345   1HG   GLU  40          2HG       GLU  40   6.492 -14.691   8.441
  346   2HG   GLU  40          1HG       GLU  40   5.206 -13.595   7.936
  347    H    ARG  41           H        ARG  41   7.066 -10.011   8.046
  348    HA   ARG  41           HA       ARG  41   8.536  -8.284   6.460
  349   1HB   ARG  41          2HB       ARG  41   9.659  -7.632   8.640
  350   2HB   ARG  41          1HB       ARG  41   7.903  -7.726   8.709
  351   1HG   ARG  41          2HG       ARG  41   7.968  -9.843   9.833
  352   2HG   ARG  41          1HG       ARG  41   9.688 -10.039   9.509
  353   1HD   ARG  41          2HD       ARG  41   8.539  -7.800  11.207
  354   2HD   ARG  41          1HD       ARG  41   9.225  -9.299  11.865
  355    HE   ARG  41           HE       ARG  41  11.206  -8.457  10.161
  356   1HH1  ARG  41          1HH2      ARG  41   9.382  -6.866  12.662
  357   2HH1  ARG  41          2HH2      ARG  41  10.667  -5.786  13.076
  358   1HH2  ARG  41          1HH1      ARG  41  12.872  -7.047  10.718
  359   2HH2  ARG  41          2HH1      ARG  41  12.636  -5.886  11.979
  360    HA   PRO  42           HA       PRO  42  12.091 -10.985   5.752
  361   1HB   PRO  42          2HB       PRO  42  12.467 -10.247   3.151
  362   2HB   PRO  42          1HB       PRO  42  11.269 -11.455   3.645
  363   1HG   PRO  42          2HG       PRO  42  10.869  -8.733   2.671
  364   2HG   PRO  42          1HG       PRO  42   9.727 -10.078   2.768
  365   1HD   PRO  42          2HD       PRO  42   9.998  -7.829   4.547
  366   2HD   PRO  42          1HD       PRO  42   8.793  -9.133   4.586
  367    H    GLU  43           H        GLU  43  14.364 -10.436   5.486
  368    HA   GLU  43           HA       GLU  43  14.962  -7.504   5.334
  369   1HB   GLU  43          2HB       GLU  43  15.442  -9.502   7.472
  370   2HB   GLU  43          1HB       GLU  43  16.824  -8.470   7.100
  371   1HG   GLU  43          2HG       GLU  43  15.873  -6.733   8.166
  372   2HG   GLU  43          1HG       GLU  43  14.423  -6.873   7.172
  373    H    ALA  44           H        ALA  44  16.455 -10.774   5.315
  374    HA   ALA  44           HA       ALA  44  18.108 -11.700   3.912
  375   1HB   ALA  44          1HB       ALA  44  17.901  -9.295   2.125
  376   2HB   ALA  44          2HB       ALA  44  16.497 -10.347   2.294
  377   3HB   ALA  44          3HB       ALA  44  18.018 -11.000   1.691
  378    HA   PRO  45           HA       PRO  45  21.870  -9.666   4.947
  379   1HB   PRO  45          2HB       PRO  45  23.582 -10.588   3.019
  380   2HB   PRO  45          1HB       PRO  45  22.980 -11.605   4.343
  381   1HG   PRO  45          2HG       PRO  45  22.137 -11.505   1.501
  382   2HG   PRO  45          1HG       PRO  45  22.227 -12.883   2.607
  383   1HD   PRO  45          2HD       PRO  45  19.901 -11.571   1.917
  384   2HD   PRO  45          1HD       PRO  45  20.116 -12.550   3.383
  385    H    ASP  46           H        ASP  46  21.222  -9.554   1.422
  386    HA   ASP  46           HA       ASP  46  22.148  -6.697   1.413
  387   1HB   ASP  46          2HB       ASP  46  22.358  -8.913  -0.655
  388   2HB   ASP  46          1HB       ASP  46  22.746  -7.228  -0.999
  389    H    GLN  47           H        GLN  47  20.300  -8.849  -0.785
  390    HA   GLN  47           HA       GLN  47  17.768  -7.517  -0.382
  391   1HB   GLN  47          2HB       GLN  47  19.222  -5.771  -1.547
  392   2HB   GLN  47          1HB       GLN  47  19.222  -6.835  -2.954
  393   1HG   GLN  47          2HG       GLN  47  17.424  -5.294  -3.298
  394   2HG   GLN  47          1HG       GLN  47  16.674  -6.813  -2.808
  395   1HE2  GLN  47          1HE2      GLN  47  15.512  -6.849  -0.810
  396   2HE2  GLN  47          2HE2      GLN  47  15.332  -5.484   0.182
  397    H    THR  48           H        THR  48  17.931 -10.104  -0.329
  398    HA   THR  48           HA       THR  48  17.282 -11.123  -3.075
  399    HB   THR  48           HB       THR  48  19.353 -11.975  -1.941
  400    HG1  THR  48           1HG      THR  48  18.633 -13.444  -3.305
  401   1HG2  THR  48          1HG2      THR  48  18.208 -13.806  -0.111
  402   2HG2  THR  48          2HG2      THR  48  17.523 -12.226   0.266
  403   3HG2  THR  48          3HG2      THR  48  19.272 -12.448   0.251
  404    H    LEU  49           H        LEU  49  15.233  -9.900  -1.872
  405    HA   LEU  49           HA       LEU  49  13.562 -12.087  -0.669
  406   1HB   LEU  49          2HB       LEU  49  13.423  -9.069  -0.344
  407   2HB   LEU  49          1HB       LEU  49  12.355 -10.226   0.448
  408    HG   LEU  49           HG       LEU  49  15.367 -10.259   0.767
  409   1HD1  LEU  49          1HD1      LEU  49  14.544  -9.393   3.148
  410   2HD1  LEU  49          2HD1      LEU  49  13.228  -8.722   2.185
  411   3HD1  LEU  49          3HD1      LEU  49  14.898  -8.266   1.840
  412   1HD2  LEU  49          1HD2      LEU  49  14.779 -12.316   1.570
  413   2HD2  LEU  49          2HD2      LEU  49  13.083 -11.867   1.755
  414   3HD2  LEU  49          3HD2      LEU  49  14.257 -11.407   2.988
  415    HA   PRO  50           HA       PRO  50  11.290 -11.409  -4.479
  416   1HB   PRO  50          2HB       PRO  50   9.523 -13.467  -4.129
  417   2HB   PRO  50          1HB       PRO  50  11.186 -13.712  -4.694
  418   1HG   PRO  50          2HG       PRO  50  10.017 -14.163  -2.007
  419   2HG   PRO  50          1HG       PRO  50  11.286 -15.059  -2.854
  420   1HD   PRO  50          2HD       PRO  50  11.729 -13.221  -0.844
  421   2HD   PRO  50          1HD       PRO  50  12.934 -13.713  -2.053
  422    HA   PRO  51           HA       PRO  51   8.079  -8.986  -2.531
  423   1HB   PRO  51          2HB       PRO  51   6.907  -8.059  -4.828
  424   2HB   PRO  51          1HB       PRO  51   8.425  -7.407  -4.180
  425   1HG   PRO  51          2HG       PRO  51   7.997  -9.366  -6.383
  426   2HG   PRO  51          1HG       PRO  51   9.151  -8.028  -6.273
  427   1HD   PRO  51          2HD       PRO  51   9.848 -10.616  -5.848
  428   2HD   PRO  51          1HD       PRO  51  10.656  -9.253  -5.044
  429    H    LEU  52           H        LEU  52   5.961  -9.439  -1.937
  430    HA   LEU  52           HA       LEU  52   4.666 -11.799  -3.227
  431   1HB   LEU  52          2HB       LEU  52   4.850 -10.582  -0.542
  432   2HB   LEU  52          1HB       LEU  52   3.231 -11.136  -0.959
  433    HG   LEU  52           HG       LEU  52   4.556 -12.911   0.160
  434   1HD1  LEU  52          1HD1      LEU  52   3.799 -13.313  -2.741
  435   2HD1  LEU  52          2HD1      LEU  52   2.850 -13.702  -1.307
  436   3HD1  LEU  52          3HD1      LEU  52   4.288 -14.646  -1.695
  437   1HD2  LEU  52          1HD2      LEU  52   6.787 -12.247  -0.629
  438   2HD2  LEU  52          2HD2      LEU  52   6.338 -12.646  -2.286
  439   3HD2  LEU  52          3HD2      LEU  52   6.461 -13.920  -1.075
  440    H    ASN  53           H        ASN  53   3.677  -8.631  -1.852
  441    HA   ASN  53           HA       ASN  53   1.467  -8.533  -3.888
  442   1HB   ASN  53          2HB       ASN  53   1.480  -8.408  -1.068
  443   2HB   ASN  53          1HB       ASN  53   1.184  -6.754  -1.608
  444   1HD2  ASN  53          1HD2      ASN  53  -0.740  -6.379  -2.996
  445   2HD2  ASN  53          2HD2      ASN  53  -2.007  -7.508  -3.027
  446    H    ASN  54           H        ASN  54   1.515  -6.794  -5.297
  447    HA   ASN  54           HA       ASN  54   3.407  -4.545  -4.655
  448   1HB   ASN  54          2HB       ASN  54   2.809  -6.112  -7.160
  449   2HB   ASN  54          1HB       ASN  54   3.445  -4.474  -7.283
  450   1HD2  ASN  54          1HD2      ASN  54   5.530  -4.077  -5.941
  451   2HD2  ASN  54          2HD2      ASN  54   6.637  -5.360  -5.839
  452    H    PHE  55           H        PHE  55   2.093  -2.849  -4.071
  453    HA   PHE  55           HA       PHE  55  -0.494  -2.407  -5.500
  454   1HB   PHE  55          2HB       PHE  55   0.149  -2.404  -2.872
  455   2HB   PHE  55          1HB       PHE  55   0.464  -0.711  -3.234
  456    HD1  PHE  55           1HD      PHE  55  -1.908  -2.610  -1.809
  457    HD2  PHE  55           2HD      PHE  55  -1.543   0.069  -5.147
  458    HE1  PHE  55           1HE      PHE  55  -4.338  -2.133  -1.690
  459    HE2  PHE  55           2HE      PHE  55  -3.975   0.543  -5.031
  460    HZ   PHE  55           HZ       PHE  55  -5.373  -0.556  -3.301
  461    H    SER  56           H        SER  56  -0.401  -0.971  -7.220
  462    HA   SER  56           HA       SER  56   1.821   1.036  -7.266
  463   1HB   SER  56          2HB       SER  56   0.080  -0.332  -9.309
  464   2HB   SER  56          1HB       SER  56   0.936   1.150  -9.728
  465    HG   SER  56           HG       SER  56   2.575  -0.131 -10.026
  466    H    VAL  57           H        VAL  57   1.330   3.141  -6.856
  467    HA   VAL  57           HA       VAL  57  -1.355   4.200  -7.575
  468    HB   VAL  57           HB       VAL  57  -1.542   3.335  -5.284
  469   1HG1  VAL  57          1HG1      VAL  57  -0.123   4.119  -3.482
  470   2HG1  VAL  57          2HG1      VAL  57   0.719   5.223  -4.566
  471   3HG1  VAL  57          3HG1      VAL  57   0.909   3.481  -4.761
  472   1HG2  VAL  57          1HG2      VAL  57  -2.631   5.177  -4.438
  473   2HG2  VAL  57          2HG2      VAL  57  -2.365   5.762  -6.079
  474   3HG2  VAL  57          3HG2      VAL  57  -1.286   6.264  -4.778
  475    H    ALA  58           H        ALA  58   0.605   4.977  -9.114
  476    HA   ALA  58           HA       ALA  58   2.136   7.259  -8.022
  477   1HB   ALA  58          1HB       ALA  58   3.098   7.270 -10.278
  478   2HB   ALA  58          2HB       ALA  58   1.837   6.176 -10.845
  479   3HB   ALA  58          3HB       ALA  58   3.035   5.612  -9.680
  480    H    GLU  59           H        GLU  59  -0.411   6.730 -10.484
  481    HA   GLU  59           HA       GLU  59  -1.230   9.598 -10.146
  482   1HB   GLU  59          2HB       GLU  59  -0.741   7.894 -12.584
  483   2HB   GLU  59          1HB       GLU  59  -1.881   9.236 -12.671
  484   1HG   GLU  59          2HG       GLU  59   0.828   9.715 -11.473
  485   2HG   GLU  59          1HG       GLU  59   0.675   9.627 -13.227
  486    H    CYS  60           H        CYS  60  -2.472   7.827  -8.539
  487    HA   CYS  60           HA       CYS  60  -5.096   7.287  -9.894
  488   1HB   CYS  60          2HB       CYS  60  -3.194   5.510  -8.686
  489   2HB   CYS  60          1HB       CYS  60  -4.656   5.510  -7.700
  490    H    GLN  61           H        GLN  61  -6.952   7.357  -8.389
  491    HA   GLN  61           HA       GLN  61  -6.510   9.325  -6.185
  492   1HB   GLN  61          2HB       GLN  61  -8.086   9.931  -7.938
  493   2HB   GLN  61          1HB       GLN  61  -8.938   8.400  -7.757
  494   1HG   GLN  61          2HG       GLN  61  -8.677  10.033  -5.290
  495   2HG   GLN  61          1HG       GLN  61  -9.734  10.688  -6.540
  496   1HE2  GLN  61          1HE2      GLN  61  -9.951   8.887  -3.820
  497   2HE2  GLN  61          2HE2      GLN  61 -11.222   7.843  -4.239
  498    H    LEU  62           H        LEU  62  -6.708   8.661  -4.084
  499    HA   LEU  62           HA       LEU  62  -7.996   6.002  -3.536
  500   1HB   LEU  62          2HB       LEU  62  -6.331   5.715  -1.809
  501   2HB   LEU  62          1HB       LEU  62  -5.484   6.231  -3.264
  502    HG   LEU  62           HG       LEU  62  -6.228   8.609  -1.929
  503   1HD1  LEU  62          1HD1      LEU  62  -4.739   6.834   0.000
  504   2HD1  LEU  62          2HD1      LEU  62  -6.502   6.916   0.033
  505   3HD1  LEU  62          3HD1      LEU  62  -5.544   8.372   0.310
  506   1HD2  LEU  62          1HD2      LEU  62  -3.720   8.742  -1.566
  507   2HD2  LEU  62          2HD2      LEU  62  -4.208   8.399  -3.226
  508   3HD2  LEU  62          3HD2      LEU  62  -3.615   7.097  -2.195
  509    H    MET  63           H        MET  63  -9.098   5.854  -1.423
  510    HA   MET  63           HA       MET  63  -9.871   8.487  -0.229
  511   1HB   MET  63          2HB       MET  63 -12.226   7.822  -0.379
  512   2HB   MET  63          1HB       MET  63 -11.495   7.772  -1.981
  513   1HG   MET  63          2HG       MET  63 -11.073   5.214  -0.832
  514   2HG   MET  63          1HG       MET  63 -12.753   5.636  -0.506
  515   1HE   MET  63          1HE       MET  63 -14.214   6.667  -1.984
  516   2HE   MET  63          2HE       MET  63 -14.665   5.066  -2.565
  517   3HE   MET  63          3HE       MET  63 -14.379   6.366  -3.719
  518    H    LYS  64           H        LYS  64 -10.535   8.340   1.980
  519    HA   LYS  64           HA       LYS  64  -9.614   5.874   3.367
  520   1HB   LYS  64          2HB       LYS  64  -9.587   7.339   5.339
  521   2HB   LYS  64          1HB       LYS  64  -8.755   8.128   4.001
  522   1HG   LYS  64          2HG       LYS  64 -11.430   8.900   3.700
  523   2HG   LYS  64          1HG       LYS  64 -11.148   8.970   5.439
  524   1HD   LYS  64          2HD       LYS  64  -9.031  10.105   3.667
  525   2HD   LYS  64          1HD       LYS  64 -10.532  11.019   3.821
  526   1HE   LYS  64          2HE       LYS  64 -10.284  10.837   6.341
  527   2HE   LYS  64          1HE       LYS  64  -8.662  10.173   6.059
  528   1HZ   LYS  64          1HZ       LYS  64  -8.103  12.122   4.763
  529   2HZ   LYS  64          2HZ       LYS  64  -8.623  12.601   6.309
  530   3HZ   LYS  64          3HZ       LYS  64  -9.663  12.756   4.976
  531    H    THR  65           H        THR  65 -10.995   4.650   4.690
  532    HA   THR  65           HA       THR  65 -13.827   5.509   5.017
  533    HB   THR  65           HB       THR  65 -13.816   4.369   2.883
  534    HG1  THR  65           1HG      THR  65 -15.105   2.558   3.399
  535   1HG2  THR  65          1HG2      THR  65 -11.821   2.690   4.226
  536   2HG2  THR  65          2HG2      THR  65 -12.036   3.024   2.508
  537   3HG2  THR  65          3HG2      THR  65 -12.993   1.765   3.290
  538    H    GLU  66           H        GLU  66 -14.998   3.615   6.305
  539    HA   GLU  66           HA       GLU  66 -13.089   2.439   8.297
  540   1HB   GLU  66          2HB       GLU  66 -14.820   3.079  10.022
  541   2HB   GLU  66          1HB       GLU  66 -14.046   4.455   9.242
  542   1HG   GLU  66          2HG       GLU  66 -16.364   3.645   7.716
  543   2HG   GLU  66          1HG       GLU  66 -16.815   3.913   9.399
  544    H    ARG  67           H        ARG  67 -14.542   1.237   5.957
  545    HA   ARG  67           HA       ARG  67 -16.085  -0.840   7.470
  546   1HB   ARG  67          2HB       ARG  67 -17.217   1.054   5.891
  547   2HB   ARG  67          1HB       ARG  67 -16.861  -0.171   4.674
  548   1HG   ARG  67          2HG       ARG  67 -19.009  -0.773   5.417
  549   2HG   ARG  67          1HG       ARG  67 -17.957  -1.833   6.354
  550   1HD   ARG  67          2HD       ARG  67 -18.428   0.790   7.627
  551   2HD   ARG  67          1HD       ARG  67 -19.884  -0.208   7.464
  552    HE   ARG  67           HE       ARG  67 -17.472  -0.906   9.025
  553   1HH1  ARG  67          1HH2      ARG  67 -20.483  -1.925   7.597
  554   2HH1  ARG  67          2HH2      ARG  67 -20.626  -3.318   8.611
  555   1HH2  ARG  67          1HH1      ARG  67 -17.666  -2.731  10.326
  556   2HH2  ARG  67          2HH1      ARG  67 -19.042  -3.769  10.156
  557    HA   PRO  68           HA       PRO  68 -16.751  -2.764   7.302
  558   1HB   PRO  68          2HB       PRO  68 -15.592  -5.020   8.328
  559   2HB   PRO  68          1HB       PRO  68 -16.548  -5.013   6.833
  560   1HG   PRO  68          2HG       PRO  68 -13.594  -5.019   7.190
  561   2HG   PRO  68          1HG       PRO  68 -14.590  -5.872   6.001
  562   1HD   PRO  68          2HD       PRO  68 -13.202  -3.602   5.439
  563   2HD   PRO  68          1HD       PRO  68 -14.696  -4.068   4.600
  564    H    ARG  69           H        ARG  69 -13.249  -2.578   7.862
  565    HA   ARG  69           HA       ARG  69 -13.711  -2.013  10.762
  566   1HB   ARG  69          2HB       ARG  69 -11.205  -2.561   9.140
  567   2HB   ARG  69          1HB       ARG  69 -11.260  -2.377  10.891
  568   1HG   ARG  69          2HG       ARG  69 -13.098  -4.288  10.691
  569   2HG   ARG  69          1HG       ARG  69 -12.238  -4.637   9.191
  570   1HD   ARG  69          2HD       ARG  69 -10.972  -4.471  11.955
  571   2HD   ARG  69          1HD       ARG  69 -11.262  -5.958  11.033
  572    HE   ARG  69           HE       ARG  69  -9.839  -4.399   9.254
  573   1HH1  ARG  69          1HH2      ARG  69  -9.333  -5.421  12.548
  574   2HH1  ARG  69          2HH2      ARG  69  -7.607  -5.350  12.429
  575   1HH2  ARG  69          1HH1      ARG  69  -7.580  -4.306   9.127
  576   2HH2  ARG  69          2HH1      ARG  69  -6.619  -4.717  10.509
  577    HA   PRO  70           HA       PRO  70 -12.891   2.283  10.204
  578   1HB   PRO  70          2HB       PRO  70 -11.621   2.888  12.552
  579   2HB   PRO  70          1HB       PRO  70 -13.363   2.564  12.449
  580   1HG   PRO  70          2HG       PRO  70 -11.154   0.767  13.320
  581   2HG   PRO  70          1HG       PRO  70 -12.785   0.954  13.984
  582   1HD   PRO  70          2HD       PRO  70 -12.064  -1.102  12.356
  583   2HD   PRO  70          1HD       PRO  70 -13.719  -0.457  12.437
  584    H    ASN  71           H        ASN  71 -11.053   3.882  10.073
  585    HA   ASN  71           HA       ASN  71  -8.913   4.485   9.276
  586   1HB   ASN  71          2HB       ASN  71  -8.267   2.096  11.040
  587   2HB   ASN  71          1HB       ASN  71  -7.050   3.183  10.379
  588   1HD2  ASN  71          1HD2      ASN  71  -9.547   2.858  12.830
  589   2HD2  ASN  71          2HD2      ASN  71  -9.267   4.355  13.579
  590    H    THR  72           H        THR  72 -10.121   3.437   7.232
  591    HA   THR  72           HA       THR  72  -8.371   1.230   6.179
  592    HB   THR  72           HB       THR  72 -11.312   1.854   5.783
  593    HG1  THR  72           1HG      THR  72 -11.501   0.460   7.317
  594   1HG2  THR  72          1HG2      THR  72 -10.304   1.074   3.669
  595   2HG2  THR  72          2HG2      THR  72 -11.366  -0.155   4.355
  596   3HG2  THR  72          3HG2      THR  72  -9.617  -0.316   4.511
  597    H    PHE  73           H        PHE  73  -7.848   1.344   3.932
  598    HA   PHE  73           HA       PHE  73  -8.299   4.015   2.631
  599   1HB   PHE  73          2HB       PHE  73  -5.901   2.278   3.054
  600   2HB   PHE  73          1HB       PHE  73  -5.986   3.201   1.554
  601    HD1  PHE  73           1HD      PHE  73  -6.504   5.731   1.746
  602    HD2  PHE  73           2HD      PHE  73  -5.199   3.310   5.045
  603    HE1  PHE  73           1HE      PHE  73  -5.786   7.773   2.958
  604    HE2  PHE  73           2HE      PHE  73  -4.482   5.351   6.256
  605    HZ   PHE  73           HZ       PHE  73  -4.776   7.581   5.214
  606    H    VAL  74           H        VAL  74  -9.315   3.837   0.657
  607    HA   VAL  74           HA       VAL  74  -9.204   1.189  -0.762
  608    HB   VAL  74           HB       VAL  74 -11.537   3.072  -0.260
  609   1HG1  VAL  74          1HG1      VAL  74 -12.870   1.349  -1.506
  610   2HG1  VAL  74          2HG1      VAL  74 -11.356   0.582  -1.983
  611   3HG1  VAL  74          3HG1      VAL  74 -11.726   2.218  -2.529
  612   1HG2  VAL  74          1HG2      VAL  74 -12.418   1.361   1.105
  613   2HG2  VAL  74          2HG2      VAL  74 -10.700   1.344   1.503
  614   3HG2  VAL  74          3HG2      VAL  74 -11.362   0.134   0.405
  615    H    ILE  75           H        ILE  75  -9.020   1.334  -3.029
  616    HA   ILE  75           HA       ILE  75  -8.804   4.106  -4.164
  617    HB   ILE  75           HB       ILE  75  -6.640   2.916  -3.729
  618   1HG1  ILE  75          2HG1      ILE  75  -6.854   2.985  -6.698
  619   2HG1  ILE  75          1HG1      ILE  75  -7.300   4.455  -5.836
  620   1HG2  ILE  75          1HG2      ILE  75  -6.049   0.975  -5.101
  621   2HG2  ILE  75          2HG2      ILE  75  -7.643   0.996  -5.855
  622   3HG2  ILE  75          3HG2      ILE  75  -7.482   0.614  -4.140
  623   1HD1  ILE  75          1HD1      ILE  75  -5.159   4.878  -5.191
  624   2HD1  ILE  75          2HD1      ILE  75  -4.736   3.803  -6.524
  625   3HD1  ILE  75          3HD1      ILE  75  -4.817   3.176  -4.878
  626    H    ARG  76           H        ARG  76  -9.807   4.427  -6.158
  627    HA   ARG  76           HA       ARG  76 -11.501   2.189  -7.161
  628   1HB   ARG  76          2HB       ARG  76 -12.521   4.346  -6.522
  629   2HB   ARG  76          1HB       ARG  76 -11.499   5.178  -7.692
  630   1HG   ARG  76          2HG       ARG  76 -12.690   3.147  -9.185
  631   2HG   ARG  76          1HG       ARG  76 -13.984   3.704  -8.123
  632   1HD   ARG  76          2HD       ARG  76 -12.251   5.597  -9.736
  633   2HD   ARG  76          1HD       ARG  76 -13.816   4.988 -10.307
  634    HE   ARG  76           HE       ARG  76 -14.664   5.881  -7.991
  635   1HH1  ARG  76          1HH2      ARG  76 -12.135   7.317  -9.921
  636   2HH1  ARG  76          2HH2      ARG  76 -12.383   8.898  -9.270
  637   1HH2  ARG  76          1HH1      ARG  76 -14.971   7.954  -7.165
  638   2HH2  ARG  76          2HH1      ARG  76 -13.977   9.259  -7.718
  639    H    CYS  77           H        CYS  77  -9.801   4.920  -8.783
  640    HA   CYS  77           HA       CYS  77  -8.615   4.999 -10.818
  641   1HB   CYS  77          2HB       CYS  77  -7.980   2.179  -9.885
  642   2HB   CYS  77          1HB       CYS  77  -7.080   3.058 -11.119
  643    H    LEU  78           H        LEU  78  -8.160   3.054 -12.789
  644    HA   LEU  78           HA       LEU  78 -10.859   2.001 -13.509
  645   1HB   LEU  78          2HB       LEU  78 -10.501   3.041 -15.788
  646   2HB   LEU  78          1HB       LEU  78 -10.693   4.215 -14.491
  647    HG   LEU  78           HG       LEU  78  -7.901   3.367 -14.974
  648   1HD1  LEU  78          1HD1      LEU  78  -7.705   4.878 -16.969
  649   2HD1  LEU  78          2HD1      LEU  78  -9.467   4.953 -17.033
  650   3HD1  LEU  78          3HD1      LEU  78  -8.640   3.417 -17.290
  651   1HD2  LEU  78          1HD2      LEU  78  -8.834   6.197 -15.077
  652   2HD2  LEU  78          2HD2      LEU  78  -7.458   5.499 -14.226
  653   3HD2  LEU  78          3HD2      LEU  78  -9.081   5.336 -13.558
  654    H    GLN  79           H        GLN  79  -9.261   1.731 -16.295
  655    HA   GLN  79           HA       GLN  79  -7.984   0.072 -17.366
  656   1HB   GLN  79          2HB       GLN  79  -6.857   0.393 -14.661
  657   2HB   GLN  79          1HB       GLN  79  -6.519  -1.176 -15.387
  658   1HG   GLN  79          2HG       GLN  79  -5.225  -0.278 -17.059
  659   2HG   GLN  79          1HG       GLN  79  -6.167   1.213 -17.129
  660   1HE2  GLN  79          1HE2      GLN  79  -5.700   2.888 -15.478
  661   2HE2  GLN  79          2HE2      GLN  79  -4.227   2.873 -14.634
  662    H    TRP  80           H        TRP  80  -7.734  -2.358 -17.455
  663    HA   TRP  80           HA       TRP  80  -9.869  -3.783 -15.899
  664   1HB   TRP  80          2HB       TRP  80 -10.065  -3.013 -18.512
  665   2HB   TRP  80          1HB       TRP  80  -9.337  -4.609 -18.700
  666    HD1  TRP  80           HD       TRP  80 -12.383  -2.921 -17.043
  667    HE1  TRP  80           1HE      TRP  80 -14.276  -4.666 -16.863
  668    HE3  TRP  80           3HE      TRP  80  -9.933  -7.060 -18.755
  669    HZ2  TRP  80           2HZ      TRP  80 -14.690  -7.449 -17.376
  670    HZ3  TRP  80           3HZ      TRP  80 -11.097  -9.242 -18.899
  671    HH2  TRP  80           HH       TRP  80 -13.470  -9.442 -18.212
  672    H    THR  81           H        THR  81  -9.525  -6.197 -15.941
  673    HA   THR  81           HA       THR  81  -8.198  -8.124 -15.671
  674    HB   THR  81           HB       THR  81  -6.158  -6.588 -17.315
  675    HG1  THR  81           1HG      THR  81  -8.343  -8.206 -18.125
  676   1HG2  THR  81          1HG2      THR  81  -5.273  -8.626 -16.327
  677   2HG2  THR  81          2HG2      THR  81  -5.532  -8.889 -18.052
  678   3HG2  THR  81          3HG2      THR  81  -6.677  -9.540 -16.879
  679    H    THR  82           H        THR  82  -5.661  -5.579 -15.719
  680    HA   THR  82           HA       THR  82  -4.473  -6.607 -13.255
  681    HB   THR  82           HB       THR  82  -3.214  -4.270 -13.672
  682    HG1  THR  82           1HG      THR  82  -4.562  -3.492 -15.250
  683   1HG2  THR  82          1HG2      THR  82  -1.768  -5.476 -15.319
  684   2HG2  THR  82          2HG2      THR  82  -2.990  -6.744 -15.403
  685   3HG2  THR  82          3HG2      THR  82  -2.144  -6.435 -13.886
  686    H    VAL  83           H        VAL  83  -6.150  -6.368 -11.665
  687    HA   VAL  83           HA       VAL  83  -6.321  -3.687 -10.470
  688    HB   VAL  83           HB       VAL  83  -8.011  -3.712 -12.311
  689   1HG1  VAL  83          1HG1      VAL  83  -9.840  -5.228 -12.334
  690   2HG1  VAL  83          2HG1      VAL  83  -9.485  -5.807 -10.707
  691   3HG1  VAL  83          3HG1      VAL  83  -8.421  -6.235 -12.046
  692   1HG2  VAL  83          1HG2      VAL  83  -9.933  -3.710 -10.174
  693   2HG2  VAL  83          2HG2      VAL  83  -9.199  -2.330 -10.991
  694   3HG2  VAL  83          3HG2      VAL  83  -8.418  -3.035  -9.576
  695    H    ILE  84           H        ILE  84  -5.187  -5.981  -9.375
  696    HA   ILE  84           HA       ILE  84  -7.143  -7.402  -7.693
  697    HB   ILE  84           HB       ILE  84  -4.103  -7.354  -7.744
  698   1HG1  ILE  84          2HG1      ILE  84  -5.487  -9.740  -8.736
  699   2HG1  ILE  84          1HG1      ILE  84  -5.869  -8.300  -9.681
  700   1HG2  ILE  84          1HG2      ILE  84  -6.022  -9.361  -6.519
  701   2HG2  ILE  84          2HG2      ILE  84  -5.060  -8.196  -5.610
  702   3HG2  ILE  84          3HG2      ILE  84  -4.263  -9.478  -6.522
  703   1HD1  ILE  84          1HD1      ILE  84  -3.214  -9.629  -9.243
  704   2HD1  ILE  84          2HD1      ILE  84  -3.265  -7.896  -9.565
  705   3HD1  ILE  84          3HD1      ILE  84  -3.928  -9.031 -10.741
  706    H    GLU  85           H        GLU  85  -4.558  -4.980  -7.209
  707    HA   GLU  85           HA       GLU  85  -4.983  -4.760  -4.343
  708   1HB   GLU  85          2HB       GLU  85  -3.440  -2.817  -4.621
  709   2HB   GLU  85          1HB       GLU  85  -2.840  -4.266  -5.422
  710   1HG   GLU  85          2HG       GLU  85  -4.527  -2.745  -7.225
  711   2HG   GLU  85          1HG       GLU  85  -3.235  -1.731  -6.587
  712    H    ARG  86           H        ARG  86  -6.652  -3.693  -3.372
  713    HA   ARG  86           HA       ARG  86  -7.700  -1.175  -4.505
  714   1HB   ARG  86          2HB       ARG  86  -8.830  -3.673  -5.163
  715   2HB   ARG  86          1HB       ARG  86  -9.919  -2.970  -3.967
  716   1HG   ARG  86          2HG       ARG  86  -9.613  -0.788  -5.427
  717   2HG   ARG  86          1HG       ARG  86  -9.174  -1.945  -6.684
  718   1HD   ARG  86          2HD       ARG  86 -11.368  -2.385  -7.024
  719   2HD   ARG  86          1HD       ARG  86 -11.505  -2.942  -5.349
  720    HE   ARG  86           HE       ARG  86 -11.990  -0.629  -4.669
  721   1HH1  ARG  86          1HH2      ARG  86 -11.896  -1.193  -8.116
  722   2HH1  ARG  86          2HH2      ARG  86 -12.862   0.194  -8.478
  723   1HH2  ARG  86          1HH1      ARG  86 -13.242   1.161  -5.169
  724   2HH2  ARG  86          2HH1      ARG  86 -13.627   1.515  -6.820
  725    H    THR  87           H        THR  87  -8.537  -3.748  -2.126
  726    HA   THR  87           HA       THR  87  -9.377  -1.689  -0.172
  727    HB   THR  87           HB       THR  87  -9.971  -3.786   1.141
  728    HG1  THR  87           1HG      THR  87  -8.580  -5.259   0.283
  729   1HG2  THR  87          1HG2      THR  87 -11.547  -4.507  -0.990
  730   2HG2  THR  87          2HG2      THR  87 -11.068  -2.867  -1.425
  731   3HG2  THR  87          3HG2      THR  87 -11.886  -3.169   0.108
  732    H    PHE  88           H        PHE  88  -8.172  -1.097   1.579
  733    HA   PHE  88           HA       PHE  88  -5.817  -2.737   2.391
  734   1HB   PHE  88          2HB       PHE  88  -4.739  -1.261   0.934
  735   2HB   PHE  88          1HB       PHE  88  -5.898   0.029   1.219
  736    HD1  PHE  88           1HD      PHE  88  -4.216  -1.878   3.938
  737    HD2  PHE  88           2HD      PHE  88  -4.308   1.769   1.672
  738    HE1  PHE  88           1HE      PHE  88  -2.678  -0.824   5.565
  739    HE2  PHE  88           2HE      PHE  88  -2.766   2.820   3.302
  740    HZ   PHE  88           HZ       PHE  88  -1.952   1.523   5.249
  741    H    HIS  89           H        HIS  89  -5.973  -2.977   4.593
  742    HA   HIS  89           HA       HIS  89  -7.321  -0.804   6.177
  743   1HB   HIS  89          2HB       HIS  89  -7.347  -3.827   6.425
  744   2HB   HIS  89          1HB       HIS  89  -8.012  -2.750   7.652
  745    HD1  HIS  89           1HD      HIS  89 -10.424  -2.207   7.352
  746    HD2  HIS  89           2HD      HIS  89  -8.624  -3.195   3.727
  747    HE1  HIS  89           1HE      HIS  89 -12.253  -2.154   5.606
  748    H    VAL  90           H        VAL  90  -6.410  -0.353   8.251
  749    HA   VAL  90           HA       VAL  90  -3.646  -1.451   8.679
  750    HB   VAL  90           HB       VAL  90  -3.214   0.694   9.822
  751   1HG1  VAL  90          1HG1      VAL  90  -4.100   0.494   7.020
  752   2HG1  VAL  90          2HG1      VAL  90  -2.610   1.157   7.688
  753   3HG1  VAL  90          3HG1      VAL  90  -4.075   2.138   7.657
  754   1HG2  VAL  90          1HG2      VAL  90  -4.865   2.053  10.540
  755   2HG2  VAL  90          2HG2      VAL  90  -6.003   0.785  10.086
  756   3HG2  VAL  90          3HG2      VAL  90  -5.622   2.077   8.948
  757    H    ASP  91           H        ASP  91  -3.029  -1.774  10.977
  758    HA   ASP  91           HA       ASP  91  -5.395  -2.616  12.608
  759   1HB   ASP  91          2HB       ASP  91  -2.844  -3.740  11.916
  760   2HB   ASP  91          1HB       ASP  91  -2.903  -3.532  13.666
  761    H    SER  92           H        SER  92  -4.216   0.196  12.409
  762    HA   SER  92           HA       SER  92  -4.244   0.773  15.285
  763   1HB   SER  92          2HB       SER  92  -1.956   0.158  15.157
  764   2HB   SER  92          1HB       SER  92  -1.758   0.889  13.570
  765    HG   SER  92           HG       SER  92  -0.926   2.397  14.859
  766    HA   PRO  93           HA       PRO  93  -5.952   4.465  13.546
  767   1HB   PRO  93          2HB       PRO  93  -5.664   6.151  15.692
  768   2HB   PRO  93          1HB       PRO  93  -6.905   4.884  15.613
  769   1HG   PRO  93          2HG       PRO  93  -4.268   4.864  17.005
  770   2HG   PRO  93          1HG       PRO  93  -5.836   4.247  17.553
  771   1HD   PRO  93          2HD       PRO  93  -3.896   2.630  16.583
  772   2HD   PRO  93          1HD       PRO  93  -5.627   2.281  16.374
  773    H    ASP  94           H        ASP  94  -2.894   4.842  15.377
  774    HA   ASP  94           HA       ASP  94  -2.036   7.258  14.060
  775   1HB   ASP  94          2HB       ASP  94  -1.247   6.046  16.244
  776   2HB   ASP  94          1HB       ASP  94  -0.201   5.129  15.160
  777    H    GLU  95           H        GLU  95  -1.811   3.819  13.265
  778    HA   GLU  95           HA       GLU  95   0.194   3.915  11.227
  779   1HB   GLU  95          2HB       GLU  95  -1.729   2.113  12.347
  780   2HB   GLU  95          1HB       GLU  95  -1.899   2.056  10.595
  781   1HG   GLU  95          2HG       GLU  95   0.531   1.651  10.374
  782   2HG   GLU  95          1HG       GLU  95   0.689   1.687  12.132
  783    H    ARG  96           H        ARG  96  -3.379   4.121  10.983
  784    HA   ARG  96           HA       ARG  96  -3.605   4.539   8.192
  785   1HB   ARG  96          2HB       ARG  96  -5.448   4.062   9.754
  786   2HB   ARG  96          1HB       ARG  96  -5.227   5.637  10.515
  787   1HG   ARG  96          2HG       ARG  96  -5.548   5.803   7.602
  788   2HG   ARG  96          1HG       ARG  96  -6.951   5.106   8.413
  789   1HD   ARG  96          2HD       ARG  96  -5.827   7.479   9.776
  790   2HD   ARG  96          1HD       ARG  96  -6.514   7.804   8.172
  791    HE   ARG  96           HE       ARG  96  -8.142   6.084   9.932
  792   1HH1  ARG  96          1HH2      ARG  96  -7.468   9.299   8.789
  793   2HH1  ARG  96          2HH2      ARG  96  -9.078   9.863   9.066
  794   1HH2  ARG  96          1HH1      ARG  96 -10.248   6.825  10.267
  795   2HH2  ARG  96          2HH1      ARG  96 -10.648   8.470   9.899
  796    H    GLU  97           H        GLU  97  -3.160   6.937  10.812
  797    HA   GLU  97           HA       GLU  97  -3.246   9.282   9.158
  798   1HB   GLU  97          2HB       GLU  97  -2.562   8.486  11.896
  799   2HB   GLU  97          1HB       GLU  97  -1.573   9.830  11.320
  800   1HG   GLU  97          2HG       GLU  97  -3.335  11.130  11.916
  801   2HG   GLU  97          1HG       GLU  97  -4.076  10.547  10.427
  802    H    GLU  98           H        GLU  98  -0.565   7.129  10.102
  803    HA   GLU  98           HA       GLU  98   1.564   8.752   9.021
  804   1HB   GLU  98          2HB       GLU  98   1.870   6.984  10.697
  805   2HB   GLU  98          1HB       GLU  98   1.299   5.773   9.550
  806   1HG   GLU  98          2HG       GLU  98   3.589   5.548   9.276
  807   2HG   GLU  98          1HG       GLU  98   3.248   6.758   8.042
  808    H    TRP  99           H        TRP  99  -0.455   6.152   7.647
  809    HA   TRP  99           HA       TRP  99   1.004   5.883   5.173
  810   1HB   TRP  99          2HB       TRP  99  -1.901   5.334   5.874
  811   2HB   TRP  99          1HB       TRP  99  -1.056   4.694   4.464
  812    HD1  TRP  99           HD       TRP  99  -2.184   3.370   7.458
  813    HE1  TRP  99           1HE      TRP  99  -0.625   1.605   8.499
  814    HE3  TRP  99           3HE      TRP  99   2.118   4.374   4.895
  815    HZ2  TRP  99           2HZ      TRP  99   2.086   0.724   8.265
  816    HZ3  TRP  99           3HZ      TRP  99   4.169   3.054   5.322
  817    HH2  TRP  99           HH       TRP  99   4.159   1.235   7.001
  818    H    MET 100           H        MET 100  -1.878   7.817   6.080
  819    HA   MET 100           HA       MET 100  -2.404   8.942   3.506
  820   1HB   MET 100          2HB       MET 100  -3.442   9.075   6.067
  821   2HB   MET 100          1HB       MET 100  -2.809  10.705   5.836
  822   1HG   MET 100          2HG       MET 100  -4.146   9.864   3.430
  823   2HG   MET 100          1HG       MET 100  -5.223   9.627   4.806
  824   1HE   MET 100          1HE       MET 100  -5.576  11.422   2.360
  825   2HE   MET 100          2HE       MET 100  -3.970  12.137   2.229
  826   3HE   MET 100          3HE       MET 100  -5.358  13.165   2.577
  827    H    ARG 101           H        ARG 101  -0.356  10.138   6.191
  828    HA   ARG 101           HA       ARG 101   0.571  12.515   4.856
  829   1HB   ARG 101          2HB       ARG 101   0.717  11.389   7.361
  830   2HB   ARG 101          1HB       ARG 101   2.368  11.165   6.784
  831   1HG   ARG 101          2HG       ARG 101   2.225  13.317   7.900
  832   2HG   ARG 101          1HG       ARG 101   2.428  13.594   6.170
  833   1HD   ARG 101          2HD       ARG 101   0.154  14.216   5.882
  834   2HD   ARG 101          1HD       ARG 101  -0.325  13.486   7.426
  835    HE   ARG 101           HE       ARG 101   0.529  15.385   8.565
  836   1HH1  ARG 101          1HH2      ARG 101   1.487  15.373   5.213
  837   2HH1  ARG 101          2HH2      ARG 101   2.099  16.990   5.264
  838   1HH2  ARG 101          1HH1      ARG 101   1.333  17.487   8.610
  839   2HH2  ARG 101          2HH1      ARG 101   2.015  18.182   7.178
  840    H    ALA 102           H        ALA 102   1.912   9.211   5.105
  841    HA   ALA 102           HA       ALA 102   4.359   9.712   3.679
  842   1HB   ALA 102          1HB       ALA 102   2.649   7.241   4.107
  843   2HB   ALA 102          2HB       ALA 102   4.027   7.756   5.080
  844   3HB   ALA 102          3HB       ALA 102   4.274   7.196   3.424
  845    H    ILE 103           H        ILE 103   1.152   8.547   2.599
  846    HA   ILE 103           HA       ILE 103   1.767   8.056  -0.137
  847    HB   ILE 103           HB       ILE 103  -0.720   8.923   1.364
  848   1HG1  ILE 103          2HG1      ILE 103  -0.210   6.294  -0.018
  849   2HG1  ILE 103          1HG1      ILE 103   0.460   6.602   1.583
  850   1HG2  ILE 103          1HG2      ILE 103  -0.323   8.409  -1.576
  851   2HG2  ILE 103          2HG2      ILE 103  -1.277   9.667  -0.789
  852   3HG2  ILE 103          3HG2      ILE 103  -1.858   8.003  -0.808
  853   1HD1  ILE 103          1HD1      ILE 103  -2.350   6.150   0.770
  854   2HD1  ILE 103          2HD1      ILE 103  -2.107   7.442   1.946
  855   3HD1  ILE 103          3HD1      ILE 103  -1.552   5.807   2.305
  856    H    GLN 104           H        GLN 104   0.684  11.060   1.482
  857    HA   GLN 104           HA       GLN 104   0.548  12.673  -0.907
  858   1HB   GLN 104          2HB       GLN 104  -0.126  12.895   1.757
  859   2HB   GLN 104          1HB       GLN 104   1.238  14.005   1.634
  860   1HG   GLN 104          2HG       GLN 104  -1.065  14.043  -0.330
  861   2HG   GLN 104          1HG       GLN 104  -1.066  15.004   1.148
  862   1HE2  GLN 104          1HE2      GLN 104  -0.153  15.083  -2.115
  863   2HE2  GLN 104          2HE2      GLN 104   0.951  16.369  -2.033
  864    H    MET 105           H        MET 105   3.155  12.081   1.467
  865    HA   MET 105           HA       MET 105   5.019  14.016   0.460
  866   1HB   MET 105          2HB       MET 105   4.845  12.081   2.490
  867   2HB   MET 105          1HB       MET 105   6.229  11.587   1.518
  868   1HG   MET 105          2HG       MET 105   7.481  13.305   2.270
  869   2HG   MET 105          1HG       MET 105   6.197  14.469   1.946
  870   1HE   MET 105          1HE       MET 105   5.244  15.862   3.991
  871   2HE   MET 105          2HE       MET 105   6.985  15.794   3.737
  872   3HE   MET 105          3HE       MET 105   6.336  15.689   5.371
  873    H    VAL 106           H        VAL 106   4.516  10.566  -0.340
  874    HA   VAL 106           HA       VAL 106   6.706  10.327  -2.196
  875    HB   VAL 106           HB       VAL 106   4.049   8.877  -1.899
  876   1HG1  VAL 106          1HG1      VAL 106   4.700   8.290  -4.073
  877   2HG1  VAL 106          2HG1      VAL 106   5.464   7.031  -3.104
  878   3HG1  VAL 106          3HG1      VAL 106   6.418   8.393  -3.692
  879   1HG2  VAL 106          1HG2      VAL 106   5.884   8.891  -0.039
  880   2HG2  VAL 106          2HG2      VAL 106   6.785   7.853  -1.144
  881   3HG2  VAL 106          3HG2      VAL 106   5.209   7.342  -0.540
  882    H    ALA 107           H        ALA 107   3.312  11.348  -2.573
  883    HA   ALA 107           HA       ALA 107   3.227  11.437  -5.438
  884   1HB   ALA 107          1HB       ALA 107   1.804  12.942  -3.224
  885   2HB   ALA 107          2HB       ALA 107   1.219  11.534  -4.112
  886   3HB   ALA 107          3HB       ALA 107   1.354  13.096  -4.922
  887    H    ASN 108           H        ASN 108   4.296  13.808  -3.005
  888    HA   ASN 108           HA       ASN 108   4.622  16.089  -4.676
  889   1HB   ASN 108          2HB       ASN 108   5.737  15.041  -2.106
  890   2HB   ASN 108          1HB       ASN 108   6.562  16.411  -2.847
  891   1HD2  ASN 108          1HD2      ASN 108   3.670  15.426  -1.142
  892   2HD2  ASN 108          2HD2      ASN 108   2.945  16.959  -1.092
  893    H    SER 109           H        SER 109   6.940  13.457  -3.907
  894    HA   SER 109           HA       SER 109   8.991  14.559  -5.699
  895   1HB   SER 109          2HB       SER 109  10.049  12.287  -5.080
  896   2HB   SER 109          1HB       SER 109   9.750  13.413  -3.760
  897    HG   SER 109           HG       SER 109   8.450  11.029  -4.438
  898    H    LEU 110           H        LEU 110   6.414  12.156  -5.889
  899    HA   LEU 110           HA       LEU 110   7.242  10.620  -8.124
  900   1HB   LEU 110          2HB       LEU 110   4.906  11.097  -6.539
  901   2HB   LEU 110          1HB       LEU 110   4.424  11.164  -8.232
  902    HG   LEU 110           HG       LEU 110   5.397   8.972  -8.649
  903   1HD1  LEU 110          1HD1      LEU 110   7.077   8.202  -7.364
  904   2HD1  LEU 110          2HD1      LEU 110   5.976   8.092  -5.991
  905   3HD1  LEU 110          3HD1      LEU 110   6.881   9.578  -6.279
  906   1HD2  LEU 110          1HD2      LEU 110   3.856   7.642  -7.399
  907   2HD2  LEU 110          2HD2      LEU 110   3.087   9.219  -7.586
  908   3HD2  LEU 110          3HD2      LEU 110   3.851   8.785  -6.057
  909    H    LYS 111           H        LYS 111   5.450  13.720  -8.040
  910    HA   LYS 111           HA       LYS 111   6.171  14.105 -10.927
  911   1HB   LYS 111          2HB       LYS 111   3.560  14.703  -9.487
  912   2HB   LYS 111          1HB       LYS 111   3.895  15.107 -11.170
  913   1HG   LYS 111          2HG       LYS 111   3.913  12.862 -11.844
  914   2HG   LYS 111          1HG       LYS 111   4.238  12.274 -10.213
  915   1HD   LYS 111          2HD       LYS 111   1.691  13.769 -10.679
  916   2HD   LYS 111          1HD       LYS 111   1.799  12.112 -11.272
  917   1HE   LYS 111          2HE       LYS 111   2.245  11.251  -9.075
  918   2HE   LYS 111          1HE       LYS 111   2.512  12.880  -8.422
  919   1HZ   LYS 111          1HZ       LYS 111   0.282  13.429  -8.640
  920   2HZ   LYS 111          2HZ       LYS 111   0.200  11.811  -8.126
  921   3HZ   LYS 111          3HZ       LYS 111  -0.034  12.195  -9.766
  Start of MODEL    3
    1   1H    MET   1          1H        MET   1  10.706  -0.354 -10.960
    2   2H    MET   1          2H        MET   1  10.264  -1.484 -12.148
    3   3H    MET   1          3H        MET   1  10.818   0.057 -12.601
    4    HA   MET   1           HA       MET   1  12.548  -1.761 -11.028
    5   1HB   MET   1          2HB       MET   1  13.404  -2.551 -13.251
    6   2HB   MET   1          1HB       MET   1  11.736  -3.034 -12.948
    7   1HG   MET   1          2HG       MET   1  10.871  -1.455 -14.464
    8   2HG   MET   1          1HG       MET   1  12.338  -0.476 -14.426
    9   1HE   MET   1          1HE       MET   1  14.705  -1.585 -15.067
   10   2HE   MET   1          2HE       MET   1  13.975  -0.463 -16.213
   11   3HE   MET   1          3HE       MET   1  14.743  -1.935 -16.800
   12    H    ASN   2           H        ASN   2  12.427   1.012 -10.715
   13    HA   ASN   2           HA       ASN   2  14.858   1.954 -12.207
   14   1HB   ASN   2          2HB       ASN   2  12.321   3.386 -11.358
   15   2HB   ASN   2          1HB       ASN   2  13.749   4.230 -11.955
   16   1HD2  ASN   2          1HD2      ASN   2  14.220   4.106 -14.237
   17   2HD2  ASN   2          2HD2      ASN   2  13.166   3.371 -15.344
   18    H    GLU   3           H        GLU   3  15.477   4.194 -10.803
   19    HA   GLU   3           HA       GLU   3  16.509   3.166  -8.279
   20   1HB   GLU   3          2HB       GLU   3  17.362   4.970 -10.052
   21   2HB   GLU   3          1HB       GLU   3  16.475   6.077  -9.005
   22   1HG   GLU   3          2HG       GLU   3  17.872   5.703  -7.190
   23   2HG   GLU   3          1HG       GLU   3  18.329   4.091  -7.741
   24    H    VAL   4           H        VAL   4  14.212   2.658  -7.469
   25    HA   VAL   4           HA       VAL   4  12.945   5.082  -6.228
   26    HB   VAL   4           HB       VAL   4  11.832   2.396  -7.113
   27   1HG1  VAL   4          1HG1      VAL   4  10.808   3.449  -4.994
   28   2HG1  VAL   4          2HG1      VAL   4   9.700   3.077  -6.314
   29   3HG1  VAL   4          3HG1      VAL   4  10.238   4.737  -6.057
   30   1HG2  VAL   4          1HG2      VAL   4  12.273   3.942  -8.962
   31   2HG2  VAL   4          2HG2      VAL   4  11.422   5.234  -8.116
   32   3HG2  VAL   4          3HG2      VAL   4  10.534   3.825  -8.697
   33    H    SER   5           H        SER   5  13.028   5.146  -4.014
   34    HA   SER   5           HA       SER   5  13.828   2.662  -2.543
   35   1HB   SER   5          2HB       SER   5  14.202   5.618  -2.199
   36   2HB   SER   5          1HB       SER   5  14.228   4.598  -0.764
   37    HG   SER   5           HG       SER   5  16.306   4.839  -1.710
   38    H    VAL   6           H        VAL   6  12.795   2.413  -0.343
   39    HA   VAL   6           HA       VAL   6   9.886   2.770  -0.529
   40    HB   VAL   6           HB       VAL   6  11.772   1.572   1.524
   41   1HG1  VAL   6          1HG1      VAL   6   9.673   0.553   2.477
   42   2HG1  VAL   6          2HG1      VAL   6   8.740   1.641   1.450
   43   3HG1  VAL   6          3HG1      VAL   6   9.785   2.297   2.710
   44   1HG2  VAL   6          1HG2      VAL   6  11.621   0.351  -0.604
   45   2HG2  VAL   6          2HG2      VAL   6   9.860   0.360  -0.500
   46   3HG2  VAL   6          3HG2      VAL   6  10.808  -0.556   0.671
   47    H    ILE   7           H        ILE   7   8.673   4.290   0.585
   48    HA   ILE   7           HA       ILE   7  10.165   6.382   2.092
   49    HB   ILE   7           HB       ILE   7   7.610   6.145   0.559
   50   1HG1  ILE   7          2HG1      ILE   7   8.405   8.529  -0.037
   51   2HG1  ILE   7          1HG1      ILE   7   9.879   8.121   0.840
   52   1HG2  ILE   7          1HG2      ILE   7   7.006   8.456   1.634
   53   2HG2  ILE   7          2HG2      ILE   7   7.980   7.888   2.989
   54   3HG2  ILE   7          3HG2      ILE   7   6.556   6.978   2.484
   55   1HD1  ILE   7          1HD1      ILE   7   8.737   6.568  -1.498
   56   2HD1  ILE   7          2HD1      ILE   7  10.212   6.162  -0.621
   57   3HD1  ILE   7          3HD1      ILE   7  10.128   7.648  -1.566
   58    H    LYS   8           H        LYS   8   7.422   4.116   2.491
   59    HA   LYS   8           HA       LYS   8   7.838   4.225   5.430
   60   1HB   LYS   8          2HB       LYS   8   6.128   5.988   4.356
   61   2HB   LYS   8          1HB       LYS   8   5.042   4.600   4.435
   62   1HG   LYS   8          2HG       LYS   8   5.003   4.586   6.729
   63   2HG   LYS   8          1HG       LYS   8   6.673   5.133   6.865
   64   1HD   LYS   8          2HD       LYS   8   5.787   7.387   5.928
   65   2HD   LYS   8          1HD       LYS   8   4.194   6.775   6.372
   66   1HE   LYS   8          2HE       LYS   8   6.182   6.416   8.511
   67   2HE   LYS   8          1HE       LYS   8   5.899   8.118   8.093
   68   1HZ   LYS   8          1HZ       LYS   8   4.252   7.363   9.694
   69   2HZ   LYS   8          2HZ       LYS   8   3.796   6.089   8.664
   70   3HZ   LYS   8          3HZ       LYS   8   3.506   7.702   8.208
   71    H    GLU   9           H        GLU   9   7.366   2.260   6.365
   72    HA   GLU   9           HA       GLU   9   5.698   0.306   4.841
   73   1HB   GLU   9          2HB       GLU   9   7.460  -1.406   5.265
   74   2HB   GLU   9          1HB       GLU   9   8.048  -0.084   4.260
   75   1HG   GLU   9          2HG       GLU   9   8.977   0.986   6.349
   76   2HG   GLU   9          1HG       GLU   9   8.547  -0.484   7.223
   77    H    GLY  10           H        GLY  10   4.549  -1.120   6.171
   78   1HA   GLY  10          2HA       GLY  10   5.126  -1.438   8.999
   79   2HA   GLY  10          1HA       GLY  10   3.760  -0.355   8.731
   80    H    TRP  11           H        TRP  11   3.480  -2.837  10.043
   81    HA   TRP  11           HA       TRP  11   2.469  -4.839   8.160
   82   1HB   TRP  11          2HB       TRP  11   2.581  -4.478  11.155
   83   2HB   TRP  11          1HB       TRP  11   1.689  -5.822  10.440
   84    HD1  TRP  11           HD       TRP  11   5.216  -4.440  10.859
   85    HE1  TRP  11           1HE      TRP  11   6.911  -6.277  10.231
   86    HE3  TRP  11           3HE      TRP  11   2.035  -7.978   9.009
   87    HZ2  TRP  11           2HZ      TRP  11   6.916  -8.900   9.095
   88    HZ3  TRP  11           3HZ      TRP  11   2.911 -10.136   8.160
   89    HH2  TRP  11           HH       TRP  11   5.348 -10.597   8.203
   90    H    LEU  12           H        LEU  12   0.512  -4.664   7.212
   91    HA   LEU  12           HA       LEU  12  -1.697  -3.248   8.675
   92   1HB   LEU  12          2HB       LEU  12  -1.074  -3.308   5.699
   93   2HB   LEU  12          1HB       LEU  12  -2.361  -2.381   6.471
   94    HG   LEU  12           HG       LEU  12   0.557  -2.035   7.202
   95   1HD1  LEU  12          1HD1      LEU  12  -0.617  -1.356   4.740
   96   2HD1  LEU  12          2HD1      LEU  12   0.910  -0.755   5.386
   97   3HD1  LEU  12          3HD1      LEU  12  -0.581   0.144   5.666
   98   1HD2  LEU  12          1HD2      LEU  12  -1.564   0.060   7.456
   99   2HD2  LEU  12          2HD2      LEU  12  -0.155  -0.235   8.472
  100   3HD2  LEU  12          3HD2      LEU  12  -1.573  -1.272   8.611
  101    H    HIS  13           H        HIS  13  -3.896  -4.018   7.978
  102    HA   HIS  13           HA       HIS  13  -3.864  -6.964   7.518
  103   1HB   HIS  13          2HB       HIS  13  -5.642  -4.934   8.790
  104   2HB   HIS  13          1HB       HIS  13  -6.420  -6.368   8.116
  105    HD1  HIS  13           1HD      HIS  13  -6.542  -8.273   9.716
  106    HD2  HIS  13           2HD      HIS  13  -3.265  -5.824  10.506
  107    HE1  HIS  13           1HE      HIS  13  -5.387  -9.255  11.745
  108    H    LYS  14           H        LYS  14  -3.984  -7.514   5.391
  109    HA   LYS  14           HA       LYS  14  -5.941  -6.058   3.638
  110   1HB   LYS  14          2HB       LYS  14  -3.640  -5.529   3.054
  111   2HB   LYS  14          1HB       LYS  14  -3.201  -7.236   3.069
  112   1HG   LYS  14          2HG       LYS  14  -5.432  -6.906   1.303
  113   2HG   LYS  14          1HG       LYS  14  -4.213  -5.704   0.883
  114   1HD   LYS  14          2HD       LYS  14  -2.497  -7.559   0.923
  115   2HD   LYS  14          1HD       LYS  14  -3.830  -8.700   1.096
  116   1HE   LYS  14          2HE       LYS  14  -4.551  -7.004  -1.056
  117   2HE   LYS  14          1HE       LYS  14  -2.852  -7.447  -1.317
  118   1HZ   LYS  14          1HZ       LYS  14  -5.080  -9.319  -0.697
  119   2HZ   LYS  14          2HZ       LYS  14  -3.444  -9.764  -0.845
  120   3HZ   LYS  14          3HZ       LYS  14  -4.290  -9.169  -2.192
  121    H    ARG  15           H        ARG  15  -7.291  -7.385   2.380
  122    HA   ARG  15           HA       ARG  15  -7.532 -10.196   3.175
  123   1HB   ARG  15          2HB       ARG  15  -9.508 -10.096   1.670
  124   2HB   ARG  15          1HB       ARG  15  -9.485  -8.750   2.802
  125   1HG   ARG  15          2HG       ARG  15  -9.269  -7.215   1.147
  126   2HG   ARG  15          1HG       ARG  15  -8.061  -8.175   0.293
  127   1HD   ARG  15          2HD       ARG  15 -11.036  -8.799   0.265
  128   2HD   ARG  15          1HD       ARG  15 -10.198  -7.906  -1.014
  129    HE   ARG  15           HE       ARG  15  -9.662 -10.749  -0.270
  130   1HH1  ARG  15          1HH2      ARG  15  -9.188  -8.022  -2.398
  131   2HH1  ARG  15          2HH2      ARG  15  -8.454  -8.976  -3.636
  132   1HH2  ARG  15          1HH1      ARG  15  -8.698 -11.962  -1.889
  133   2HH2  ARG  15          2HH1      ARG  15  -8.172 -11.197  -3.349
  134    H    GLY  16           H        GLY  16  -7.182 -12.020   1.817
  135   1HA   GLY  16          2HA       GLY  16  -6.814 -12.503  -0.756
  136   2HA   GLY  16          1HA       GLY  16  -5.388 -11.498  -0.505
  137    H    GLU  17           H        GLU  17  -6.817 -14.622   0.065
  138    HA   GLU  17           HA       GLU  17  -4.200 -15.829   0.554
  139   1HB   GLU  17          2HB       GLU  17  -4.814 -14.759   2.743
  140   2HB   GLU  17          1HB       GLU  17  -6.258 -15.768   2.791
  141   1HG   GLU  17          2HG       GLU  17  -5.081 -17.533   3.559
  142   2HG   GLU  17          1HG       GLU  17  -3.900 -17.377   2.260
  143    H    TYR  18           H        TYR  18  -7.597 -16.536   1.466
  144    HA   TYR  18           HA       TYR  18  -7.636 -18.785  -0.484
  145   1HB   TYR  18          2HB       TYR  18  -8.348 -20.349   1.258
  146   2HB   TYR  18          1HB       TYR  18  -6.815 -19.621   1.716
  147    HD1  TYR  18           1HD      TYR  18 -10.239 -20.181   2.661
  148    HD2  TYR  18           2HD      TYR  18  -6.862 -17.613   3.326
  149    HE1  TYR  18           1HE      TYR  18 -11.245 -19.405   4.790
  150    HE2  TYR  18           2HE      TYR  18  -7.868 -16.837   5.452
  151    HH   TYR  18           HH       TYR  18 -10.458 -18.408   6.944
  152    H    ILE  19           H        ILE  19  -9.486 -16.764   1.817
  153    HA   ILE  19           HA       ILE  19 -11.792 -16.877  -0.067
  154    HB   ILE  19           HB       ILE  19 -11.755 -18.508   2.025
  155   1HG1  ILE  19          2HG1      ILE  19 -14.361 -17.283   2.129
  156   2HG1  ILE  19          1HG1      ILE  19 -13.777 -17.273   0.465
  157   1HG2  ILE  19          1HG2      ILE  19 -12.999 -16.088   3.325
  158   2HG2  ILE  19          2HG2      ILE  19 -11.291 -16.468   3.541
  159   3HG2  ILE  19          3HG2      ILE  19 -12.522 -17.614   4.067
  160   1HD1  ILE  19          1HD1      ILE  19 -15.043 -19.379   1.261
  161   2HD1  ILE  19          2HD1      ILE  19 -13.583 -19.749   2.178
  162   3HD1  ILE  19          3HD1      ILE  19 -13.513 -19.624   0.421
  163    H    LYS  20           H        LYS  20 -13.533 -15.233   1.412
  164    HA   LYS  20           HA       LYS  20 -12.300 -12.616   1.072
  165   1HB   LYS  20          2HB       LYS  20 -14.746 -13.460   0.709
  166   2HB   LYS  20          1HB       LYS  20 -14.929 -13.183   2.442
  167   1HG   LYS  20          2HG       LYS  20 -14.502 -10.866   2.236
  168   2HG   LYS  20          1HG       LYS  20 -13.794 -11.051   0.632
  169   1HD   LYS  20          2HD       LYS  20 -16.041 -11.783  -0.212
  170   2HD   LYS  20          1HD       LYS  20 -16.711 -11.398   1.374
  171   1HE   LYS  20          2HE       LYS  20 -16.222  -9.069   1.132
  172   2HE   LYS  20          1HE       LYS  20 -15.169  -9.364  -0.266
  173   1HZ   LYS  20          1HZ       LYS  20 -17.066 -10.224  -1.484
  174   2HZ   LYS  20          2HZ       LYS  20 -17.386  -8.641  -0.959
  175   3HZ   LYS  20          3HZ       LYS  20 -18.082  -9.963  -0.150
  176    H    THR  21           H        THR  21 -10.578 -13.403   2.822
  177    HA   THR  21           HA       THR  21 -11.503 -12.455   5.521
  178    HB   THR  21           HB       THR  21  -9.403 -14.532   4.804
  179    HG1  THR  21           1HG      THR  21 -12.020 -14.778   5.868
  180   1HG2  THR  21          1HG2      THR  21 -10.476 -13.499   7.435
  181   2HG2  THR  21          2HG2      THR  21  -8.799 -13.533   6.888
  182   3HG2  THR  21          3HG2      THR  21  -9.625 -15.038   7.295
  183    H    TRP  22           H        TRP  22  -9.816 -11.331   6.772
  184    HA   TRP  22           HA       TRP  22  -7.767  -9.997   5.030
  185   1HB   TRP  22          2HB       TRP  22  -9.240  -9.072   7.524
  186   2HB   TRP  22          1HB       TRP  22  -8.027  -8.123   6.669
  187    HD1  TRP  22           HD       TRP  22 -11.437  -9.811   5.982
  188    HE1  TRP  22           1HE      TRP  22 -12.677  -8.434   4.192
  189    HE3  TRP  22           3HE      TRP  22  -7.864  -6.318   4.917
  190    HZ2  TRP  22           2HZ      TRP  22 -12.229  -6.151   2.543
  191    HZ3  TRP  22           3HZ      TRP  22  -8.298  -4.555   3.230
  192    HH2  TRP  22           HH       TRP  22 -10.472  -4.467   2.040
  193    H    ARG  23           H        ARG  23  -5.625 -10.135   5.698
  194    HA   ARG  23           HA       ARG  23  -5.066 -11.192   8.447
  195   1HB   ARG  23          2HB       ARG  23  -4.228 -12.193   5.737
  196   2HB   ARG  23          1HB       ARG  23  -3.168 -12.458   7.122
  197   1HG   ARG  23          2HG       ARG  23  -6.052 -13.105   7.501
  198   2HG   ARG  23          1HG       ARG  23  -5.127 -14.184   6.456
  199   1HD   ARG  23          2HD       ARG  23  -3.952 -15.053   8.209
  200   2HD   ARG  23          1HD       ARG  23  -3.739 -13.462   8.962
  201    HE   ARG  23           HE       ARG  23  -6.483 -14.546   9.034
  202   1HH1  ARG  23          1HH2      ARG  23  -3.434 -14.122  10.664
  203   2HH1  ARG  23          2HH2      ARG  23  -4.119 -14.314  12.239
  204   1HH2  ARG  23          1HH1      ARG  23  -7.356 -14.803  11.094
  205   2HH2  ARG  23          2HH1      ARG  23  -6.328 -14.704  12.484
  206    HA   PRO  24           HA       PRO  24  -2.064  -7.988   8.635
  207   1HB   PRO  24          2HB       PRO  24  -0.148  -9.137  10.221
  208   2HB   PRO  24          1HB       PRO  24  -1.713  -8.572  10.840
  209   1HG   PRO  24          2HG       PRO  24  -0.839 -11.335  10.146
  210   2HG   PRO  24          1HG       PRO  24  -1.821 -10.770  11.508
  211   1HD   PRO  24          2HD       PRO  24  -2.888 -11.942   9.308
  212   2HD   PRO  24          1HD       PRO  24  -3.752 -10.724  10.272
  213    H    ARG  25           H        ARG  25  -0.591  -7.354   7.132
  214    HA   ARG  25           HA       ARG  25   1.486  -9.278   6.165
  215   1HB   ARG  25          2HB       ARG  25  -0.744  -7.934   4.712
  216   2HB   ARG  25          1HB       ARG  25   0.812  -7.974   3.885
  217   1HG   ARG  25          2HG       ARG  25   0.104 -10.032   3.198
  218   2HG   ARG  25          1HG       ARG  25   0.677 -10.536   4.789
  219   1HD   ARG  25          2HD       ARG  25  -1.598 -10.221   5.717
  220   2HD   ARG  25          1HD       ARG  25  -2.175  -9.719   4.119
  221    HE   ARG  25           HE       ARG  25  -1.988 -11.965   3.370
  222   1HH1  ARG  25          1HH2      ARG  25  -0.470 -11.535   6.485
  223   2HH1  ARG  25          2HH2      ARG  25  -0.291 -13.236   6.754
  224   1HH2  ARG  25          1HH1      ARG  25  -1.731 -14.166   3.748
  225   2HH2  ARG  25          2HH1      ARG  25  -1.001 -14.713   5.218
  226    H    TYR  26           H        TYR  26   3.466  -8.230   5.628
  227    HA   TYR  26           HA       TYR  26   3.894  -5.572   6.747
  228   1HB   TYR  26          2HB       TYR  26   5.436  -7.710   6.464
  229   2HB   TYR  26          1HB       TYR  26   5.800  -6.994   4.898
  230    HD1  TYR  26           1HD      TYR  26   5.211  -4.092   6.409
  231    HD2  TYR  26           2HD      TYR  26   7.932  -7.389   6.872
  232    HE1  TYR  26           1HE      TYR  26   6.857  -2.586   7.488
  233    HE2  TYR  26           2HE      TYR  26   9.572  -5.879   7.952
  234    HH   TYR  26           HH       TYR  26   9.709  -2.826   7.696
  235    H    PHE  27           H        PHE  27   2.873  -3.926   5.591
  236    HA   PHE  27           HA       PHE  27   2.988  -3.922   2.623
  237   1HB   PHE  27          2HB       PHE  27   1.392  -2.695   4.796
  238   2HB   PHE  27          1HB       PHE  27   1.639  -1.673   3.379
  239    HD1  PHE  27           1HD      PHE  27   0.433  -5.016   4.491
  240    HD2  PHE  27           2HD      PHE  27   0.517  -2.114   1.325
  241    HE1  PHE  27           1HE      PHE  27  -1.266  -6.322   3.249
  242    HE2  PHE  27           2HE      PHE  27  -1.184  -3.420   0.083
  243    HZ   PHE  27           HZ       PHE  27  -2.075  -5.524   1.045
  244    H    LEU  28           H        LEU  28   4.366  -2.616   1.499
  245    HA   LEU  28           HA       LEU  28   5.866  -0.488   3.002
  246   1HB   LEU  28          2HB       LEU  28   6.816  -2.441   0.877
  247   2HB   LEU  28          1HB       LEU  28   7.804  -1.158   1.573
  248    HG   LEU  28           HG       LEU  28   6.803  -2.464   3.810
  249   1HD1  LEU  28          1HD1      LEU  28   5.963  -4.289   2.366
  250   2HD1  LEU  28          2HD1      LEU  28   7.268  -4.851   3.410
  251   3HD1  LEU  28          3HD1      LEU  28   7.585  -4.510   1.709
  252   1HD2  LEU  28          1HD2      LEU  28   9.414  -3.014   2.362
  253   2HD2  LEU  28          2HD2      LEU  28   9.108  -3.232   4.085
  254   3HD2  LEU  28          3HD2      LEU  28   9.116  -1.612   3.389
  255    H    LEU  29           H        LEU  29   5.537   1.504   2.098
  256    HA   LEU  29           HA       LEU  29   4.476   1.686  -0.688
  257   1HB   LEU  29          2HB       LEU  29   3.275   2.791   1.180
  258   2HB   LEU  29          1HB       LEU  29   4.729   3.716   1.562
  259    HG   LEU  29           HG       LEU  29   4.618   4.509  -0.909
  260   1HD1  LEU  29          1HD1      LEU  29   2.843   2.788  -1.482
  261   2HD1  LEU  29          2HD1      LEU  29   2.458   4.441  -1.963
  262   3HD1  LEU  29          3HD1      LEU  29   1.714   3.746  -0.523
  263   1HD2  LEU  29          1HD2      LEU  29   3.446   6.422  -0.233
  264   2HD2  LEU  29          2HD2      LEU  29   3.968   5.743   1.308
  265   3HD2  LEU  29          3HD2      LEU  29   2.312   5.498   0.752
  266    H    LYS  30           H        LYS  30   5.867   2.282  -2.309
  267    HA   LYS  30           HA       LYS  30   8.565   3.314  -1.562
  268   1HB   LYS  30          2HB       LYS  30   7.479   2.240  -4.183
  269   2HB   LYS  30          1HB       LYS  30   9.176   2.512  -3.787
  270   1HG   LYS  30          2HG       LYS  30   8.402   0.927  -1.697
  271   2HG   LYS  30          1HG       LYS  30   7.390   0.293  -2.994
  272   1HD   LYS  30          2HD       LYS  30  10.223   0.801  -3.711
  273   2HD   LYS  30          1HD       LYS  30   9.947  -0.515  -2.570
  274   1HE   LYS  30          2HE       LYS  30   8.470  -1.650  -4.107
  275   2HE   LYS  30          1HE       LYS  30   8.452  -0.254  -5.202
  276   1HZ   LYS  30          1HZ       LYS  30  10.664  -0.560  -5.774
  277   2HZ   LYS  30          2HZ       LYS  30  10.098  -2.160  -5.679
  278   3HZ   LYS  30          3HZ       LYS  30  11.007  -1.501  -4.404
  279    H    SER  31           H        SER  31   9.491   4.796  -3.426
  280    HA   SER  31           HA       SER  31   7.892   7.242  -3.467
  281   1HB   SER  31          2HB       SER  31  10.572   6.527  -3.559
  282   2HB   SER  31          1HB       SER  31  10.262   7.107  -5.192
  283    HG   SER  31           HG       SER  31   9.449   9.023  -4.290
  284    H    ASP  32           H        ASP  32   7.970   4.514  -5.519
  285    HA   ASP  32           HA       ASP  32   7.354   6.027  -7.998
  286   1HB   ASP  32          2HB       ASP  32   8.861   3.979  -7.801
  287   2HB   ASP  32          1HB       ASP  32   7.407   3.042  -7.463
  288    H    GLY  33           H        GLY  33   5.564   5.388  -5.346
  289   1HA   GLY  33          2HA       GLY  33   3.229   5.355  -5.035
  290   2HA   GLY  33          1HA       GLY  33   3.037   5.397  -6.793
  291    H    SER  34           H        SER  34   4.939   3.055  -4.936
  292    HA   SER  34           HA       SER  34   3.093   0.912  -5.933
  293   1HB   SER  34          2HB       SER  34   5.226   0.911  -7.082
  294   2HB   SER  34          1HB       SER  34   6.100   1.029  -5.558
  295    HG   SER  34           HG       SER  34   4.371  -1.112  -6.266
  296    H    PHE  35           H        PHE  35   2.298  -0.477  -4.414
  297    HA   PHE  35           HA       PHE  35   3.316  -0.235  -1.599
  298   1HB   PHE  35          2HB       PHE  35   0.751  -0.051  -2.818
  299   2HB   PHE  35          1HB       PHE  35   0.757  -1.544  -1.883
  300    HD1  PHE  35           1HD      PHE  35   2.388  -1.030   0.421
  301    HD2  PHE  35           2HD      PHE  35  -0.297   1.636  -1.613
  302    HE1  PHE  35           1HE      PHE  35   2.106   0.280   2.506
  303    HE2  PHE  35           2HE      PHE  35  -0.578   2.945   0.472
  304    HZ   PHE  35           HZ       PHE  35   0.622   2.268   2.534
  305    H    ILE  36           H        ILE  36   4.483  -2.018  -0.954
  306    HA   ILE  36           HA       ILE  36   4.012  -4.625  -2.367
  307    HB   ILE  36           HB       ILE  36   6.341  -3.723  -0.636
  308   1HG1  ILE  36          2HG1      ILE  36   6.165  -2.207  -2.548
  309   2HG1  ILE  36          1HG1      ILE  36   7.514  -3.310  -2.808
  310   1HG2  ILE  36          1HG2      ILE  36   7.526  -5.535  -1.884
  311   2HG2  ILE  36          2HG2      ILE  36   5.993  -5.970  -2.640
  312   3HG2  ILE  36          3HG2      ILE  36   6.195  -6.137  -0.896
  313   1HD1  ILE  36          1HD1      ILE  36   6.091  -3.031  -4.843
  314   2HD1  ILE  36          2HD1      ILE  36   4.731  -3.709  -3.949
  315   3HD1  ILE  36          3HD1      ILE  36   6.151  -4.701  -4.279
  316    H    GLY  37           H        GLY  37   2.948  -6.181  -1.205
  317   1HA   GLY  37          2HA       GLY  37   2.853  -5.897   1.774
  318   2HA   GLY  37          1HA       GLY  37   1.575  -6.634   0.811
  319    H    TYR  38           H        TYR  38   4.303  -7.280   2.686
  320    HA   TYR  38           HA       TYR  38   4.882  -9.895   1.383
  321   1HB   TYR  38          2HB       TYR  38   6.242  -7.954   3.089
  322   2HB   TYR  38          1HB       TYR  38   6.401  -9.590   3.725
  323    HD1  TYR  38           1HD      TYR  38   7.567 -11.329   2.475
  324    HD2  TYR  38           2HD      TYR  38   7.115  -7.371   0.867
  325    HE1  TYR  38           1HE      TYR  38   9.261 -11.842   0.736
  326    HE2  TYR  38           2HE      TYR  38   8.810  -7.884  -0.871
  327    HH   TYR  38           HH       TYR  38   9.615 -10.474  -1.939
  328    H    LYS  39           H        LYS  39   4.021 -11.781   2.190
  329    HA   LYS  39           HA       LYS  39   1.970 -11.841   4.164
  330   1HB   LYS  39          2HB       LYS  39   2.098 -14.228   3.875
  331   2HB   LYS  39          1HB       LYS  39   2.490 -13.504   2.318
  332   1HG   LYS  39          2HG       LYS  39   4.789 -13.996   2.529
  333   2HG   LYS  39          1HG       LYS  39   4.677 -14.209   4.274
  334   1HD   LYS  39          2HD       LYS  39   2.945 -16.130   3.474
  335   2HD   LYS  39          1HD       LYS  39   4.046 -16.122   2.096
  336   1HE   LYS  39          2HE       LYS  39   5.046 -17.678   3.582
  337   2HE   LYS  39          1HE       LYS  39   5.937 -16.182   3.916
  338   1HZ   LYS  39          1HZ       LYS  39   3.576 -17.212   5.406
  339   2HZ   LYS  39          2HZ       LYS  39   4.279 -15.687   5.662
  340   3HZ   LYS  39          3HZ       LYS  39   5.166 -17.098   5.988
  341    H    GLU  40           H        GLU  40   5.469 -12.320   4.479
  342    HA   GLU  40           HA       GLU  40   5.145 -12.364   7.458
  343   1HB   GLU  40          2HB       GLU  40   5.953 -14.455   5.713
  344   2HB   GLU  40          1HB       GLU  40   7.411 -13.907   6.536
  345   1HG   GLU  40          2HG       GLU  40   6.049 -14.035   8.707
  346   2HG   GLU  40          1HG       GLU  40   4.852 -14.935   7.773
  347    H    ARG  41           H        ARG  41   7.979 -12.545   7.907
  348    HA   ARG  41           HA       ARG  41   8.931  -9.939   6.762
  349   1HB   ARG  41          2HB       ARG  41   8.194 -10.478   9.345
  350   2HB   ARG  41          1HB       ARG  41   9.920 -10.835   9.411
  351   1HG   ARG  41          2HG       ARG  41  10.339  -8.606   8.302
  352   2HG   ARG  41          1HG       ARG  41   8.623  -8.253   8.502
  353   1HD   ARG  41          2HD       ARG  41   9.816  -7.274  10.388
  354   2HD   ARG  41          1HD       ARG  41   8.919  -8.682  10.988
  355    HE   ARG  41           HE       ARG  41  10.975  -9.797  11.325
  356   1HH1  ARG  41          1HH2      ARG  41  11.406  -7.021   9.262
  357   2HH1  ARG  41          2HH2      ARG  41  13.130  -7.156   9.249
  358   1HH2  ARG  41          1HH1      ARG  41  13.222  -9.950  11.300
  359   2HH2  ARG  41          2HH1      ARG  41  14.155  -8.811  10.388
  360    HA   PRO  42           HA       PRO  42  12.022 -13.382   6.030
  361   1HB   PRO  42          2HB       PRO  42  12.012 -13.351   3.302
  362   2HB   PRO  42          1HB       PRO  42  10.890 -14.341   4.255
  363   1HG   PRO  42          2HG       PRO  42  10.416 -11.786   2.833
  364   2HG   PRO  42          1HG       PRO  42   9.327 -13.155   3.093
  365   1HD   PRO  42          2HD       PRO  42   9.272 -10.777   4.514
  366   2HD   PRO  42          1HD       PRO  42   8.555 -12.311   5.051
  367    H    GLU  43           H        GLU  43  14.223 -13.014   5.348
  368    HA   GLU  43           HA       GLU  43  14.836 -10.219   4.433
  369   1HB   GLU  43          2HB       GLU  43  15.404 -11.547   6.899
  370   2HB   GLU  43          1HB       GLU  43  16.935 -11.319   6.053
  371   1HG   GLU  43          2HG       GLU  43  16.907  -9.186   6.786
  372   2HG   GLU  43          1HG       GLU  43  15.567  -8.905   5.675
  373    H    ALA  44           H        ALA  44  15.867 -13.629   4.495
  374    HA   ALA  44           HA       ALA  44  17.122 -14.876   2.943
  375   1HB   ALA  44          1HB       ALA  44  15.752 -13.286   1.403
  376   2HB   ALA  44          2HB       ALA  44  17.175 -14.073   0.723
  377   3HB   ALA  44          3HB       ALA  44  17.262 -12.390   1.237
  378    HA   PRO  45           HA       PRO  45  21.274 -13.788   3.899
  379   1HB   PRO  45          2HB       PRO  45  22.633 -15.311   2.078
  380   2HB   PRO  45          1HB       PRO  45  21.816 -16.000   3.495
  381   1HG   PRO  45          2HG       PRO  45  20.949 -15.938   0.656
  382   2HG   PRO  45          1HG       PRO  45  20.722 -17.194   1.881
  383   1HD   PRO  45          2HD       PRO  45  18.777 -15.417   1.101
  384   2HD   PRO  45          1HD       PRO  45  18.804 -16.253   2.667
  385    H    ASP  46           H        ASP  46  20.483 -13.760   0.406
  386    HA   ASP  46           HA       ASP  46  22.308 -11.399   0.079
  387   1HB   ASP  46          2HB       ASP  46  23.146 -13.275  -1.152
  388   2HB   ASP  46          1HB       ASP  46  21.535 -13.715  -1.720
  389    H    GLN  47           H        GLN  47  19.682 -12.777  -1.932
  390    HA   GLN  47           HA       GLN  47  17.859 -10.550  -1.393
  391   1HB   GLN  47          2HB       GLN  47  19.864  -9.863  -2.996
  392   2HB   GLN  47          1HB       GLN  47  18.886 -10.686  -4.211
  393   1HG   GLN  47          2HG       GLN  47  17.850  -8.667  -4.402
  394   2HG   GLN  47          1HG       GLN  47  16.983  -9.183  -2.955
  395   1HE2  GLN  47          1HE2      GLN  47  17.273  -7.922  -1.080
  396   2HE2  GLN  47          2HE2      GLN  47  18.436  -6.697  -0.925
  397    H    THR  48           H        THR  48  17.551 -13.380  -1.275
  398    HA   THR  48           HA       THR  48  15.940 -14.060  -3.696
  399    HB   THR  48           HB       THR  48  17.745 -15.584  -2.950
  400    HG1  THR  48           1HG      THR  48  15.923 -16.495  -3.921
  401   1HG2  THR  48          1HG2      THR  48  16.260 -15.359  -0.370
  402   2HG2  THR  48          2HG2      THR  48  17.996 -15.443  -0.663
  403   3HG2  THR  48          3HG2      THR  48  17.015 -16.905  -0.756
  404    H    LEU  49           H        LEU  49  14.649 -12.208  -2.302
  405    HA   LEU  49           HA       LEU  49  12.830 -13.482  -0.326
  406   1HB   LEU  49          2HB       LEU  49  13.294 -10.663  -1.331
  407   2HB   LEU  49          1HB       LEU  49  12.005 -11.065  -0.197
  408    HG   LEU  49           HG       LEU  49  14.941 -11.668   0.266
  409   1HD1  LEU  49          1HD1      LEU  49  13.198  -9.515   1.502
  410   2HD1  LEU  49          2HD1      LEU  49  14.406  -9.224   0.251
  411   3HD1  LEU  49          3HD1      LEU  49  14.904  -9.807   1.838
  412   1HD2  LEU  49          1HD2      LEU  49  14.023 -11.933   2.651
  413   2HD2  LEU  49          2HD2      LEU  49  13.614 -13.210   1.507
  414   3HD2  LEU  49          3HD2      LEU  49  12.423 -11.974   1.914
  415    HA   PRO  50           HA       PRO  50  10.018 -14.115  -3.766
  416   1HB   PRO  50          2HB       PRO  50   8.205 -15.607  -2.369
  417   2HB   PRO  50          1HB       PRO  50   9.729 -16.269  -2.988
  418   1HG   PRO  50          2HG       PRO  50   9.004 -15.452  -0.232
  419   2HG   PRO  50          1HG       PRO  50  10.052 -16.765  -0.784
  420   1HD   PRO  50          2HD       PRO  50  10.939 -14.345   0.204
  421   2HD   PRO  50          1HD       PRO  50  11.892 -15.435  -0.826
  422    HA   PRO  51           HA       PRO  51   7.380 -10.705  -2.487
  423   1HB   PRO  51          2HB       PRO  51   6.305 -10.231  -4.958
  424   2HB   PRO  51          1HB       PRO  51   7.924  -9.677  -4.486
  425   1HG   PRO  51          2HG       PRO  51   7.133 -12.016  -6.142
  426   2HG   PRO  51          1HG       PRO  51   8.510 -10.919  -6.322
  427   1HD   PRO  51          2HD       PRO  51   8.691 -13.428  -5.249
  428   2HD   PRO  51          1HD       PRO  51   9.807 -12.100  -4.861
  429    H    LEU  52           H        LEU  52   5.313 -10.838  -1.673
  430    HA   LEU  52           HA       LEU  52   3.601 -13.129  -2.527
  431   1HB   LEU  52          2HB       LEU  52   4.202 -11.643  -0.063
  432   2HB   LEU  52          1HB       LEU  52   2.477 -11.925  -0.290
  433    HG   LEU  52           HG       LEU  52   3.670 -13.760   0.965
  434   1HD1  LEU  52          1HD1      LEU  52   2.467 -15.514  -0.114
  435   2HD1  LEU  52          2HD1      LEU  52   2.579 -14.721  -1.685
  436   3HD1  LEU  52          3HD1      LEU  52   1.546 -14.043  -0.427
  437   1HD2  LEU  52          1HD2      LEU  52   4.851 -14.459  -1.733
  438   2HD2  LEU  52          2HD2      LEU  52   5.197 -15.206  -0.175
  439   3HD2  LEU  52          3HD2      LEU  52   5.754 -13.567  -0.509
  440    H    ASN  53           H        ASN  53   3.169  -9.668  -1.605
  441    HA   ASN  53           HA       ASN  53   0.960  -9.529  -3.639
  442   1HB   ASN  53          2HB       ASN  53   1.195  -8.379  -0.842
  443   2HB   ASN  53          1HB       ASN  53  -0.040  -7.859  -1.986
  444   1HD2  ASN  53          1HD2      ASN  53  -1.446  -9.724  -2.905
  445   2HD2  ASN  53          2HD2      ASN  53  -1.807 -11.009  -1.856
  446    H    ASN  54           H        ASN  54   1.367  -7.993  -5.184
  447    HA   ASN  54           HA       ASN  54   3.257  -5.754  -4.507
  448   1HB   ASN  54          2HB       ASN  54   4.120  -7.576  -6.026
  449   2HB   ASN  54          1HB       ASN  54   2.846  -7.157  -7.171
  450   1HD2  ASN  54          1HD2      ASN  54   6.024  -6.302  -6.083
  451   2HD2  ASN  54          2HD2      ASN  54   6.196  -4.897  -7.018
  452    H    PHE  55           H        PHE  55   2.566  -3.692  -5.096
  453    HA   PHE  55           HA       PHE  55   0.076  -3.455  -6.746
  454   1HB   PHE  55          2HB       PHE  55  -0.315  -3.395  -4.244
  455   2HB   PHE  55          1HB       PHE  55   0.685  -1.945  -4.184
  456    HD1  PHE  55           1HD      PHE  55  -0.613  -0.029  -3.943
  457    HD2  PHE  55           2HD      PHE  55  -1.992  -3.176  -6.516
  458    HE1  PHE  55           1HE      PHE  55  -2.571   1.348  -4.578
  459    HE2  PHE  55           2HE      PHE  55  -3.950  -1.798  -7.155
  460    HZ   PHE  55           HZ       PHE  55  -4.242   0.466  -6.186
  461    H    SER  56           H        SER  56   0.250  -1.843  -8.290
  462    HA   SER  56           HA       SER  56   2.418   0.205  -7.946
  463   1HB   SER  56          2HB       SER  56   2.427  -1.945  -9.687
  464   2HB   SER  56          1HB       SER  56   1.817  -0.637 -10.697
  465    HG   SER  56           HG       SER  56   4.303  -0.994  -9.521
  466    H    VAL  57           H        VAL  57   1.596   2.234  -8.062
  467    HA   VAL  57           HA       VAL  57  -0.276   3.118 -10.068
  468    HB   VAL  57           HB       VAL  57  -1.788   1.784  -8.611
  469   1HG1  VAL  57          1HG1      VAL  57  -0.341   2.286  -6.521
  470   2HG1  VAL  57          2HG1      VAL  57  -2.090   2.226  -6.314
  471   3HG1  VAL  57          3HG1      VAL  57  -1.271   3.782  -6.412
  472   1HG2  VAL  57          1HG2      VAL  57  -2.289   4.743  -8.209
  473   2HG2  VAL  57          2HG2      VAL  57  -3.490   3.460  -8.343
  474   3HG2  VAL  57          3HG2      VAL  57  -2.534   3.921  -9.750
  475    H    ALA  58           H        ALA  58   0.655   5.096 -10.385
  476    HA   ALA  58           HA       ALA  58   2.230   6.530  -8.465
  477   1HB   ALA  58          1HB       ALA  58   0.801   7.593 -10.920
  478   2HB   ALA  58          2HB       ALA  58   2.284   6.639 -10.989
  479   3HB   ALA  58          3HB       ALA  58   2.286   8.216 -10.200
  480    H    GLU  59           H        GLU  59   0.433   6.322  -6.707
  481    HA   GLU  59           HA       GLU  59  -1.421   7.209  -5.492
  482   1HB   GLU  59          2HB       GLU  59   0.322   9.595  -6.186
  483   2HB   GLU  59          1HB       GLU  59  -0.748   9.476  -4.789
  484   1HG   GLU  59          2HG       GLU  59   0.533   7.526  -3.970
  485   2HG   GLU  59          1HG       GLU  59   1.607   7.647  -5.361
  486    H    CYS  60           H        CYS  60  -2.679   6.793  -7.755
  487    HA   CYS  60           HA       CYS  60  -3.524   9.112  -9.260
  488   1HB   CYS  60          2HB       CYS  60  -3.568   6.569  -9.797
  489   2HB   CYS  60          1HB       CYS  60  -5.079   6.550  -8.890
  490    H    GLN  61           H        GLN  61  -5.182   7.175  -6.723
  491    HA   GLN  61           HA       GLN  61  -6.520   9.613  -5.721
  492   1HB   GLN  61          2HB       GLN  61  -7.732   8.325  -7.749
  493   2HB   GLN  61          1HB       GLN  61  -8.319   7.329  -6.419
  494   1HG   GLN  61          2HG       GLN  61  -8.534  10.353  -6.505
  495   2HG   GLN  61          1HG       GLN  61  -9.835   9.255  -6.962
  496   1HE2  GLN  61          1HE2      GLN  61  -9.974   7.361  -5.033
  497   2HE2  GLN  61          2HE2      GLN  61 -10.129   8.036  -3.485
  498    H    LEU  62           H        LEU  62  -6.649   9.424  -3.521
  499    HA   LEU  62           HA       LEU  62  -6.477   6.679  -2.312
  500   1HB   LEU  62          2HB       LEU  62  -5.051   9.208  -1.943
  501   2HB   LEU  62          1HB       LEU  62  -5.711   8.611  -0.423
  502    HG   LEU  62           HG       LEU  62  -3.466   7.714  -0.740
  503   1HD1  LEU  62          1HD1      LEU  62  -5.440   6.276   0.151
  504   2HD1  LEU  62          2HD1      LEU  62  -3.941   5.456  -0.284
  505   3HD1  LEU  62          3HD1      LEU  62  -5.314   5.425  -1.389
  506   1HD2  LEU  62          1HD2      LEU  62  -2.801   6.480  -2.664
  507   2HD2  LEU  62          2HD2      LEU  62  -3.638   7.899  -3.295
  508   3HD2  LEU  62          3HD2      LEU  62  -4.462   6.342  -3.242
  509    H    MET  63           H        MET  63  -7.815   6.290  -0.444
  510    HA   MET  63           HA       MET  63  -9.736   8.381   0.402
  511   1HB   MET  63          2HB       MET  63 -10.680   7.378  -1.655
  512   2HB   MET  63          1HB       MET  63 -10.555   5.776  -0.930
  513   1HG   MET  63          2HG       MET  63 -12.540   6.057   0.094
  514   2HG   MET  63          1HG       MET  63 -11.947   7.513   0.891
  515   1HE   MET  63          1HE       MET  63 -15.201   8.927  -0.311
  516   2HE   MET  63          2HE       MET  63 -14.244   8.221   0.989
  517   3HE   MET  63          3HE       MET  63 -15.127   7.170  -0.116
  518    H    LYS  64           H        LYS  64 -10.762   7.847   2.408
  519    HA   LYS  64           HA       LYS  64  -9.666   5.411   3.785
  520   1HB   LYS  64          2HB       LYS  64 -10.317   8.217   4.730
  521   2HB   LYS  64          1HB       LYS  64 -10.019   6.889   5.851
  522   1HG   LYS  64          2HG       LYS  64  -7.789   7.022   5.543
  523   2HG   LYS  64          1HG       LYS  64  -7.970   7.002   3.790
  524   1HD   LYS  64          2HD       LYS  64  -8.741   9.516   5.189
  525   2HD   LYS  64          1HD       LYS  64  -7.019   9.145   5.112
  526   1HE   LYS  64          2HE       LYS  64  -6.955   9.814   2.950
  527   2HE   LYS  64          1HE       LYS  64  -8.209   8.631   2.530
  528   1HZ   LYS  64          1HZ       LYS  64  -8.913  10.964   2.156
  529   2HZ   LYS  64          2HZ       LYS  64  -8.745  11.257   3.821
  530   3HZ   LYS  64          3HZ       LYS  64  -9.902  10.143   3.265
  531    H    THR  65           H        THR  65 -11.196   4.065   4.774
  532    HA   THR  65           HA       THR  65 -14.015   5.039   4.963
  533    HB   THR  65           HB       THR  65 -13.739   3.991   2.773
  534    HG1  THR  65           1HG      THR  65 -15.675   3.423   3.448
  535   1HG2  THR  65          1HG2      THR  65 -12.945   1.710   2.516
  536   2HG2  THR  65          2HG2      THR  65 -12.801   1.523   4.262
  537   3HG2  THR  65          3HG2      THR  65 -11.731   2.629   3.403
  538    H    GLU  66           H        GLU  66 -15.382   3.166   5.996
  539    HA   GLU  66           HA       GLU  66 -13.814   1.961   8.255
  540   1HB   GLU  66          2HB       GLU  66 -15.914   2.345   9.567
  541   2HB   GLU  66          1HB       GLU  66 -15.219   3.840   8.946
  542   1HG   GLU  66          2HG       GLU  66 -17.047   2.682   7.008
  543   2HG   GLU  66          1HG       GLU  66 -17.850   2.918   8.560
  544    H    ARG  67           H        ARG  67 -14.758   0.839   5.526
  545    HA   ARG  67           HA       ARG  67 -16.017  -1.614   6.659
  546   1HB   ARG  67          2HB       ARG  67 -17.751  -1.580   5.041
  547   2HB   ARG  67          1HB       ARG  67 -17.636   0.095   5.575
  548   1HG   ARG  67          2HG       ARG  67 -15.869   0.212   3.566
  549   2HG   ARG  67          1HG       ARG  67 -16.852  -1.124   2.965
  550   1HD   ARG  67          2HD       ARG  67 -18.355   1.226   4.010
  551   2HD   ARG  67          1HD       ARG  67 -17.491   1.461   2.480
  552    HE   ARG  67           HE       ARG  67 -19.688  -0.467   2.953
  553   1HH1  ARG  67          1HH2      ARG  67 -17.136   0.691   0.877
  554   2HH1  ARG  67          2HH2      ARG  67 -17.803  -0.041  -0.541
  555   1HH2  ARG  67          1HH1      ARG  67 -20.535  -1.415   1.095
  556   2HH2  ARG  67          2HH1      ARG  67 -19.716  -1.229  -0.418
  557    HA   PRO  68           HA       PRO  68 -16.704  -3.497   5.781
  558   1HB   PRO  68          2HB       PRO  68 -15.526  -5.902   6.368
  559   2HB   PRO  68          1HB       PRO  68 -16.285  -5.545   4.804
  560   1HG   PRO  68          2HG       PRO  68 -13.408  -5.530   5.557
  561   2HG   PRO  68          1HG       PRO  68 -14.183  -6.090   4.067
  562   1HD   PRO  68          2HD       PRO  68 -12.903  -3.698   4.277
  563   2HD   PRO  68          1HD       PRO  68 -14.250  -3.991   3.156
  564    H    ARG  69           H        ARG  69 -13.471  -2.832   6.850
  565    HA   ARG  69           HA       ARG  69 -14.317  -3.164   9.714
  566   1HB   ARG  69          2HB       ARG  69 -11.879  -3.857   8.167
  567   2HB   ARG  69          1HB       ARG  69 -11.594  -3.178   9.768
  568   1HG   ARG  69          2HG       ARG  69 -11.926  -5.282  10.534
  569   2HG   ARG  69          1HG       ARG  69 -13.639  -4.977  10.237
  570   1HD   ARG  69          2HD       ARG  69 -13.154  -5.768   7.809
  571   2HD   ARG  69          1HD       ARG  69 -11.665  -6.455   8.490
  572    HE   ARG  69           HE       ARG  69 -13.664  -7.247  10.261
  573   1HH1  ARG  69          1HH2      ARG  69 -13.047  -7.574   6.855
  574   2HH1  ARG  69          2HH2      ARG  69 -13.914  -9.063   6.718
  575   1HH2  ARG  69          1HH1      ARG  69 -14.795  -9.188  10.076
  576   2HH2  ARG  69          2HH1      ARG  69 -14.905  -9.975   8.537
  577    HA   PRO  70           HA       PRO  70 -13.533   1.127  10.298
  578   1HB   PRO  70          2HB       PRO  70 -12.324   1.189  12.757
  579   2HB   PRO  70          1HB       PRO  70 -14.054   0.861  12.533
  580   1HG   PRO  70          2HG       PRO  70 -11.812  -1.049  12.991
  581   2HG   PRO  70          1HG       PRO  70 -13.448  -1.051  13.666
  582   1HD   PRO  70          2HD       PRO  70 -12.709  -2.663  11.622
  583   2HD   PRO  70          1HD       PRO  70 -14.362  -2.035  11.799
  584    H    ASN  71           H        ASN  71 -11.840   2.747  10.260
  585    HA   ASN  71           HA       ASN  71  -9.736   3.588   9.621
  586   1HB   ASN  71          2HB       ASN  71  -9.274   1.373  11.570
  587   2HB   ASN  71          1HB       ASN  71  -7.863   1.980  10.705
  588   1HD2  ASN  71          1HD2      ASN  71  -9.562   2.464  13.523
  589   2HD2  ASN  71          2HD2      ASN  71  -9.204   4.102  13.787
  590    H    THR  72           H        THR  72 -10.659   2.614   7.439
  591    HA   THR  72           HA       THR  72  -8.748   0.539   6.412
  592    HB   THR  72           HB       THR  72 -11.590   1.298   5.684
  593    HG1  THR  72           1HG      THR  72 -11.907  -0.203   7.102
  594   1HG2  THR  72          1HG2      THR  72 -11.227  -0.855   4.188
  595   2HG2  THR  72          2HG2      THR  72  -9.545  -0.328   4.221
  596   3HG2  THR  72          3HG2      THR  72 -10.790   0.740   3.577
  597    H    PHE  73           H        PHE  73  -7.928   0.850   4.261
  598    HA   PHE  73           HA       PHE  73  -7.981   3.689   3.275
  599   1HB   PHE  73          2HB       PHE  73  -5.861   1.917   4.147
  600   2HB   PHE  73          1HB       PHE  73  -5.613   2.362   2.460
  601    HD1  PHE  73           1HD      PHE  73  -6.492   5.055   2.158
  602    HD2  PHE  73           2HD      PHE  73  -4.595   3.245   5.561
  603    HE1  PHE  73           1HE      PHE  73  -5.656   7.276   2.876
  604    HE2  PHE  73           2HE      PHE  73  -3.764   5.463   6.273
  605    HZ   PHE  73           HZ       PHE  73  -4.292   7.480   4.936
  606    H    VAL  74           H        VAL  74  -8.476   3.912   1.111
  607    HA   VAL  74           HA       VAL  74  -8.488   1.447  -0.608
  608    HB   VAL  74           HB       VAL  74 -10.490   3.734  -0.599
  609   1HG1  VAL  74          1HG1      VAL  74 -11.831   1.984  -1.893
  610   2HG1  VAL  74          2HG1      VAL  74 -10.327   1.072  -2.026
  611   3HG1  VAL  74          3HG1      VAL  74 -10.449   2.678  -2.741
  612   1HG2  VAL  74          1HG2      VAL  74 -10.426   1.102   0.850
  613   2HG2  VAL  74          2HG2      VAL  74 -11.974   1.735   0.291
  614   3HG2  VAL  74          3HG2      VAL  74 -10.993   2.672   1.418
  615    H    ILE  75           H        ILE  75  -7.731   1.772  -2.731
  616    HA   ILE  75           HA       ILE  75  -7.065   4.577  -3.546
  617    HB   ILE  75           HB       ILE  75  -5.081   3.511  -2.529
  618   1HG1  ILE  75          2HG1      ILE  75  -4.596   3.468  -5.501
  619   2HG1  ILE  75          1HG1      ILE  75  -5.043   4.976  -4.705
  620   1HG2  ILE  75          1HG2      ILE  75  -5.306   1.454  -4.744
  621   2HG2  ILE  75          2HG2      ILE  75  -5.810   1.156  -3.081
  622   3HG2  ILE  75          3HG2      ILE  75  -4.119   1.494  -3.442
  623   1HD1  ILE  75          1HD1      ILE  75  -2.722   5.058  -4.545
  624   2HD1  ILE  75          2HD1      ILE  75  -2.574   3.312  -4.353
  625   3HD1  ILE  75          3HD1      ILE  75  -3.142   4.301  -3.009
  626    H    ARG  76           H        ARG  76  -7.375   4.957  -5.752
  627    HA   ARG  76           HA       ARG  76  -7.659   2.700  -7.633
  628   1HB   ARG  76          2HB       ARG  76  -9.989   3.416  -8.228
  629   2HB   ARG  76          1HB       ARG  76  -9.855   2.793  -6.586
  630   1HG   ARG  76          2HG       ARG  76  -9.906   4.997  -5.647
  631   2HG   ARG  76          1HG       ARG  76  -9.686   5.747  -7.229
  632   1HD   ARG  76          2HD       ARG  76 -11.892   5.411  -7.850
  633   2HD   ARG  76          1HD       ARG  76 -12.057   3.947  -6.863
  634    HE   ARG  76           HE       ARG  76 -12.395   6.713  -5.920
  635   1HH1  ARG  76          1HH2      ARG  76 -11.731   3.397  -5.077
  636   2HH1  ARG  76          2HH2      ARG  76 -12.292   3.578  -3.452
  637   1HH2  ARG  76          1HH1      ARG  76 -13.117   6.930  -3.795
  638   2HH2  ARG  76          2HH1      ARG  76 -13.067   5.570  -2.724
  639    H    CYS  77           H        CYS  77  -8.426   3.699  -9.871
  640    HA   CYS  77           HA       CYS  77  -7.371   6.459 -10.272
  641   1HB   CYS  77          2HB       CYS  77  -5.585   4.601 -10.434
  642   2HB   CYS  77          1HB       CYS  77  -6.419   4.092 -11.901
  643    H    LEU  78           H        LEU  78  -7.804   7.170 -12.594
  644    HA   LEU  78           HA       LEU  78 -10.534   6.556 -13.362
  645   1HB   LEU  78          2HB       LEU  78  -9.231   8.742 -13.590
  646   2HB   LEU  78          1HB       LEU  78  -8.390   7.999 -14.951
  647    HG   LEU  78           HG       LEU  78 -10.690   7.528 -15.951
  648   1HD1  LEU  78          1HD1      LEU  78 -11.429   9.278 -13.605
  649   2HD1  LEU  78          2HD1      LEU  78 -12.169   7.764 -14.124
  650   3HD1  LEU  78          3HD1      LEU  78 -12.425   9.236 -15.060
  651   1HD2  LEU  78          1HD2      LEU  78  -9.194   9.385 -16.689
  652   2HD2  LEU  78          2HD2      LEU  78  -9.956  10.439 -15.497
  653   3HD2  LEU  78          3HD2      LEU  78 -10.902   9.799 -16.840
  654    H    GLN  79           H        GLN  79 -10.785   4.417 -14.065
  655    HA   GLN  79           HA       GLN  79  -9.179   3.600 -16.468
  656   1HB   GLN  79          2HB       GLN  79  -9.388   2.454 -13.846
  657   2HB   GLN  79          1HB       GLN  79 -10.135   1.340 -14.992
  658   1HG   GLN  79          2HG       GLN  79  -8.150   0.829 -15.971
  659   2HG   GLN  79          1HG       GLN  79  -7.607   2.507 -15.951
  660   1HE2  GLN  79          1HE2      GLN  79  -6.322   3.217 -14.145
  661   2HE2  GLN  79          2HE2      GLN  79  -5.787   2.159 -12.931
  662    H    TRP  80           H        TRP  80 -10.461   1.547 -17.463
  663    HA   TRP  80           HA       TRP  80 -13.079   2.565 -18.281
  664   1HB   TRP  80          2HB       TRP  80 -11.636   1.513 -19.899
  665   2HB   TRP  80          1HB       TRP  80 -11.425   0.093 -18.877
  666    HD1  TRP  80           HD       TRP  80 -14.664   1.908 -19.990
  667    HE1  TRP  80           1HE      TRP  80 -16.234   0.158 -21.046
  668    HE3  TRP  80           3HE      TRP  80 -11.677  -2.229 -19.741
  669    HZ2  TRP  80           2HZ      TRP  80 -16.226  -2.626 -21.702
  670    HZ3  TRP  80           3HZ      TRP  80 -12.483  -4.413 -20.588
  671    HH2  TRP  80           HH       TRP  80 -14.752  -4.616 -21.567
  672    H    THR  81           H        THR  81 -12.036  -0.553 -16.821
  673    HA   THR  81           HA       THR  81 -14.717  -0.704 -15.477
  674    HB   THR  81           HB       THR  81 -14.114  -3.261 -15.660
  675    HG1  THR  81           1HG      THR  81 -12.616  -3.756 -17.104
  676   1HG2  THR  81          1HG2      THR  81 -15.989  -2.616 -16.867
  677   2HG2  THR  81          2HG2      THR  81 -14.908  -3.108 -18.170
  678   3HG2  THR  81          3HG2      THR  81 -15.105  -1.398 -17.787
  679    H    THR  82           H        THR  82 -14.532  -2.341 -13.537
  680    HA   THR  82           HA       THR  82 -13.642  -2.810 -11.407
  681    HB   THR  82           HB       THR  82 -10.928  -2.331 -12.653
  682    HG1  THR  82           1HG      THR  82 -11.094  -4.253 -13.684
  683   1HG2  THR  82          1HG2      THR  82 -12.026  -4.315 -10.640
  684   2HG2  THR  82          2HG2      THR  82 -10.962  -2.951 -10.297
  685   3HG2  THR  82          3HG2      THR  82 -10.368  -4.315 -11.245
  686    H    VAL  83           H        VAL  83 -14.590  -0.601 -10.885
  687    HA   VAL  83           HA       VAL  83 -12.944   1.766 -10.802
  688    HB   VAL  83           HB       VAL  83 -14.763   2.608  -9.343
  689   1HG1  VAL  83          1HG1      VAL  83 -16.080   0.890 -11.433
  690   2HG1  VAL  83          2HG1      VAL  83 -14.983   2.187 -11.909
  691   3HG1  VAL  83          3HG1      VAL  83 -16.436   2.557 -10.981
  692   1HG2  VAL  83          1HG2      VAL  83 -16.605   1.095  -8.696
  693   2HG2  VAL  83          2HG2      VAL  83 -15.081   0.562  -7.989
  694   3HG2  VAL  83          3HG2      VAL  83 -15.738  -0.270  -9.398
  695    H    ILE  84           H        ILE  84 -13.294  -0.974  -8.612
  696    HA   ILE  84           HA       ILE  84 -11.822   0.411  -6.435
  697    HB   ILE  84           HB       ILE  84 -13.105  -2.321  -6.775
  698   1HG1  ILE  84          2HG1      ILE  84 -14.085  -0.740  -4.582
  699   2HG1  ILE  84          1HG1      ILE  84 -14.091   0.251  -6.041
  700   1HG2  ILE  84          1HG2      ILE  84 -11.666  -1.144  -4.377
  701   2HG2  ILE  84          2HG2      ILE  84 -11.187  -2.575  -5.290
  702   3HG2  ILE  84          3HG2      ILE  84 -12.664  -2.597  -4.326
  703   1HD1  ILE  84          1HD1      ILE  84 -15.332  -2.502  -5.761
  704   2HD1  ILE  84          2HD1      ILE  84 -15.309  -1.544  -7.241
  705   3HD1  ILE  84          3HD1      ILE  84 -16.211  -0.975  -5.837
  706    H    GLU  85           H        GLU  85  -9.605   0.438  -6.660
  707    HA   GLU  85           HA       GLU  85  -8.237  -1.631  -8.268
  708   1HB   GLU  85          2HB       GLU  85  -7.905   1.100  -7.649
  709   2HB   GLU  85          1HB       GLU  85  -6.524   0.280  -6.925
  710   1HG   GLU  85          2HG       GLU  85  -5.716  -0.458  -8.965
  711   2HG   GLU  85          1HG       GLU  85  -7.315  -0.485  -9.709
  712    H    ARG  86           H        ARG  86  -7.819  -0.302  -4.931
  713    HA   ARG  86           HA       ARG  86  -7.223  -3.033  -3.947
  714   1HB   ARG  86          2HB       ARG  86  -5.137  -2.077  -4.973
  715   2HB   ARG  86          1HB       ARG  86  -5.207  -0.772  -3.791
  716   1HG   ARG  86          2HG       ARG  86  -5.476  -3.078  -2.247
  717   2HG   ARG  86          1HG       ARG  86  -4.273  -3.518  -3.459
  718   1HD   ARG  86          2HD       ARG  86  -3.101  -2.522  -1.571
  719   2HD   ARG  86          1HD       ARG  86  -3.067  -1.350  -2.904
  720    HE   ARG  86           HE       ARG  86  -5.362  -1.150  -1.048
  721   1HH1  ARG  86          1HH2      ARG  86  -2.224   0.002  -2.010
  722   2HH1  ARG  86          2HH2      ARG  86  -2.439   1.549  -1.270
  723   1HH2  ARG  86          1HH1      ARG  86  -5.627   0.866  -0.093
  724   2HH2  ARG  86          2HH1      ARG  86  -4.353   2.039  -0.185
  725    H    THR  87           H        THR  87  -7.720  -3.235  -1.788
  726    HA   THR  87           HA       THR  87  -8.197  -0.745  -0.183
  727    HB   THR  87           HB       THR  87 -10.123  -2.161   0.811
  728    HG1  THR  87           1HG      THR  87 -10.703  -3.924  -0.256
  729   1HG2  THR  87          1HG2      THR  87 -10.583  -0.257  -0.606
  730   2HG2  THR  87          2HG2      THR  87 -11.630  -1.584  -1.107
  731   3HG2  THR  87          3HG2      THR  87 -10.196  -1.187  -2.053
  732    H    PHE  88           H        PHE  88  -7.299  -0.837   1.875
  733    HA   PHE  88           HA       PHE  88  -6.557  -3.490   2.999
  734   1HB   PHE  88          2HB       PHE  88  -4.308  -3.165   2.784
  735   2HB   PHE  88          1HB       PHE  88  -4.774  -2.041   1.514
  736    HD1  PHE  88           1HD      PHE  88  -4.232   0.254   1.686
  737    HD2  PHE  88           2HD      PHE  88  -4.034  -2.246   5.170
  738    HE1  PHE  88           1HE      PHE  88  -3.163   2.100   2.952
  739    HE2  PHE  88           2HE      PHE  88  -2.973  -0.402   6.433
  740    HZ   PHE  88           HZ       PHE  88  -2.533   1.769   5.329
  741    H    HIS  89           H        HIS  89  -6.317  -3.461   5.295
  742    HA   HIS  89           HA       HIS  89  -7.451  -1.026   6.633
  743   1HB   HIS  89          2HB       HIS  89  -7.278  -3.936   7.493
  744   2HB   HIS  89          1HB       HIS  89  -8.108  -2.659   8.376
  745    HD1  HIS  89           1HD      HIS  89  -9.934  -4.822   7.698
  746    HD2  HIS  89           2HD      HIS  89  -9.067  -1.870   4.891
  747    HE1  HIS  89           1HE      HIS  89 -11.838  -4.839   6.030
  748    H    VAL  90           H        VAL  90  -6.446  -0.313   8.631
  749    HA   VAL  90           HA       VAL  90  -3.580  -1.155   8.895
  750    HB   VAL  90           HB       VAL  90  -3.311   1.040  10.010
  751   1HG1  VAL  90          1HG1      VAL  90  -4.177   2.453   7.980
  752   2HG1  VAL  90          2HG1      VAL  90  -4.595   0.880   7.301
  753   3HG1  VAL  90          3HG1      VAL  90  -2.922   1.244   7.721
  754   1HG2  VAL  90          1HG2      VAL  90  -5.727   1.010  10.900
  755   2HG2  VAL  90          2HG2      VAL  90  -6.196   1.611   9.310
  756   3HG2  VAL  90          3HG2      VAL  90  -5.111   2.559  10.326
  757    H    ASP  91           H        ASP  91  -2.739  -1.379  11.122
  758    HA   ASP  91           HA       ASP  91  -4.628  -2.790  12.871
  759   1HB   ASP  91          2HB       ASP  91  -1.680  -2.224  12.759
  760   2HB   ASP  91          1HB       ASP  91  -2.379  -2.827  14.261
  761    H    SER  92           H        SER  92  -3.157   0.422  12.764
  762    HA   SER  92           HA       SER  92  -4.495   1.052  15.382
  763   1HB   SER  92          2HB       SER  92  -1.912   2.159  14.234
  764   2HB   SER  92          1HB       SER  92  -2.598   2.561  15.804
  765    HG   SER  92           HG       SER  92  -1.281   0.270  14.935
  766    HA   PRO  93           HA       PRO  93  -6.480   4.368  13.247
  767   1HB   PRO  93          2HB       PRO  93  -6.603   6.273  15.218
  768   2HB   PRO  93          1HB       PRO  93  -7.643   4.833  15.200
  769   1HG   PRO  93          2HG       PRO  93  -5.158   5.353  16.758
  770   2HG   PRO  93          1HG       PRO  93  -6.651   4.540  17.254
  771   1HD   PRO  93          2HD       PRO  93  -4.390   3.197  16.574
  772   2HD   PRO  93          1HD       PRO  93  -6.023   2.533  16.334
  773    H    ASP  94           H        ASP  94  -3.573   5.155  15.141
  774    HA   ASP  94           HA       ASP  94  -2.896   7.622  13.831
  775   1HB   ASP  94          2HB       ASP  94  -1.576   5.541  15.531
  776   2HB   ASP  94          1HB       ASP  94  -0.528   6.677  14.683
  777    H    GLU  95           H        GLU  95  -2.316   4.212  13.049
  778    HA   GLU  95           HA       GLU  95  -0.293   4.502  11.068
  779   1HB   GLU  95          2HB       GLU  95  -2.167   2.523  12.053
  780   2HB   GLU  95          1HB       GLU  95  -2.074   2.437  10.294
  781   1HG   GLU  95          2HG       GLU  95  -0.257   1.121  10.749
  782   2HG   GLU  95          1HG       GLU  95   0.557   2.681  10.869
  783    H    ARG  96           H        ARG  96  -3.875   4.489  10.695
  784    HA   ARG  96           HA       ARG  96  -3.980   4.854   7.883
  785   1HB   ARG  96          2HB       ARG  96  -5.897   4.295   9.290
  786   2HB   ARG  96          1HB       ARG  96  -5.786   5.853  10.106
  787   1HG   ARG  96          2HG       ARG  96  -5.900   6.311   7.273
  788   2HG   ARG  96          1HG       ARG  96  -7.217   5.228   7.722
  789   1HD   ARG  96          2HD       ARG  96  -6.689   7.657   9.422
  790   2HD   ARG  96          1HD       ARG  96  -7.584   7.833   7.899
  791    HE   ARG  96           HE       ARG  96  -8.490   5.606   9.597
  792   1HH1  ARG  96          1HH2      ARG  96  -8.834   8.970   8.764
  793   2HH1  ARG  96          2HH2      ARG  96 -10.470   9.060   9.318
  794   1HH2  ARG  96          1HH1      ARG  96 -10.623   5.745  10.321
  795   2HH2  ARG  96          2HH1      ARG  96 -11.482   7.243  10.190
  796    H    GLU  97           H        GLU  97  -3.896   7.340  10.472
  797    HA   GLU  97           HA       GLU  97  -3.898   9.600   8.666
  798   1HB   GLU  97          2HB       GLU  97  -3.303   9.047  11.556
  799   2HB   GLU  97          1HB       GLU  97  -2.822  10.607  10.887
  800   1HG   GLU  97          2HG       GLU  97  -5.386  10.318   9.907
  801   2HG   GLU  97          1HG       GLU  97  -5.509   9.587  11.507
  802    H    GLU  98           H        GLU  98  -1.354   7.563  10.061
  803    HA   GLU  98           HA       GLU  98   0.891   9.216   9.300
  804   1HB   GLU  98          2HB       GLU  98   0.407   6.354  10.101
  805   2HB   GLU  98          1HB       GLU  98   2.004   6.841   9.539
  806   1HG   GLU  98          2HG       GLU  98   0.542   8.354  11.708
  807   2HG   GLU  98          1HG       GLU  98   1.594   6.986  12.068
  808    H    TRP  99           H        TRP  99  -0.756   6.446   7.727
  809    HA   TRP  99           HA       TRP  99   0.989   6.182   5.471
  810   1HB   TRP  99          2HB       TRP  99  -1.988   5.687   5.807
  811   2HB   TRP  99          1HB       TRP  99  -1.043   5.110   4.437
  812    HD1  TRP  99           HD       TRP  99  -2.441   3.701   7.295
  813    HE1  TRP  99           1HE      TRP  99  -1.041   1.807   8.328
  814    HE3  TRP  99           3HE      TRP  99   2.041   4.586   5.015
  815    HZ2  TRP  99           2HZ      TRP  99   1.635   0.784   8.192
  816    HZ3  TRP  99           3HZ      TRP  99   3.994   3.136   5.481
  817    HH2  TRP  99           HH       TRP  99   3.796   1.241   7.064
  818    H    MET 100           H        MET 100  -1.967   8.151   5.922
  819    HA   MET 100           HA       MET 100  -2.125   9.255   3.299
  820   1HB   MET 100          2HB       MET 100  -3.436   9.459   5.769
  821   2HB   MET 100          1HB       MET 100  -2.859  11.095   5.449
  822   1HG   MET 100          2HG       MET 100  -3.817  10.747   3.066
  823   2HG   MET 100          1HG       MET 100  -4.699   9.392   3.772
  824   1HE   MET 100          1HE       MET 100  -3.869  13.113   3.880
  825   2HE   MET 100          2HE       MET 100  -5.472  13.818   4.075
  826   3HE   MET 100          3HE       MET 100  -5.127  12.808   2.673
  827    H    ARG 101           H        ARG 101  -0.369  10.377   6.205
  828    HA   ARG 101           HA       ARG 101   0.669  12.819   5.112
  829   1HB   ARG 101          2HB       ARG 101   0.560  11.938   7.532
  830   2HB   ARG 101          1HB       ARG 101   2.013  11.019   7.143
  831   1HG   ARG 101          2HG       ARG 101   3.312  12.843   7.371
  832   2HG   ARG 101          1HG       ARG 101   2.287  13.776   6.280
  833   1HD   ARG 101          2HD       ARG 101   2.361  14.776   8.568
  834   2HD   ARG 101          1HD       ARG 101   0.723  14.243   8.141
  835    HE   ARG 101           HE       ARG 101   2.227  12.114   9.415
  836   1HH1  ARG 101          1HH2      ARG 101   0.451  15.044  10.016
  837   2HH1  ARG 101          2HH2      ARG 101  -0.056  14.554  11.595
  838   1HH2  ARG 101          1HH1      ARG 101   1.553  11.478  11.467
  839   2HH2  ARG 101          2HH1      ARG 101   0.565  12.539  12.415
  840    H    ALA 102           H        ALA 102   1.927   9.479   5.131
  841    HA   ALA 102           HA       ALA 102   4.492  10.045   3.959
  842   1HB   ALA 102          1HB       ALA 102   4.686   7.736   3.981
  843   2HB   ALA 102          2HB       ALA 102   3.037   7.490   3.408
  844   3HB   ALA 102          3HB       ALA 102   3.331   7.913   5.096
  845    H    ILE 103           H        ILE 103   1.344   9.148   2.522
  846    HA   ILE 103           HA       ILE 103   2.187   8.965  -0.207
  847    HB   ILE 103           HB       ILE 103  -0.452   9.752   1.088
  848   1HG1  ILE 103          2HG1      ILE 103   0.273   7.097  -0.155
  849   2HG1  ILE 103          1HG1      ILE 103   0.676   7.448   1.525
  850   1HG2  ILE 103          1HG2      ILE 103  -0.168  10.399  -1.373
  851   2HG2  ILE 103          2HG2      ILE 103  -1.523   9.330  -1.008
  852   3HG2  ILE 103          3HG2      ILE 103  -0.046   8.672  -1.712
  853   1HD1  ILE 103          1HD1      ILE 103  -1.992   7.040   0.261
  854   2HD1  ILE 103          2HD1      ILE 103  -1.890   8.231   1.559
  855   3HD1  ILE 103          3HD1      ILE 103  -1.419   6.558   1.858
  856    H    GLN 104           H        GLN 104   1.057  11.738   1.746
  857    HA   GLN 104           HA       GLN 104   0.967  13.685  -0.357
  858   1HB   GLN 104          2HB       GLN 104   0.325  13.585   2.281
  859   2HB   GLN 104          1HB       GLN 104   1.832  14.494   2.377
  860   1HG   GLN 104          2HG       GLN 104  -0.369  15.229   0.435
  861   2HG   GLN 104          1HG       GLN 104  -0.308  15.874   2.075
  862   1HE2  GLN 104          1HE2      GLN 104   0.753  16.459  -1.093
  863   2HE2  GLN 104          2HE2      GLN 104   2.014  17.537  -0.737
  864    H    MET 105           H        MET 105   3.613  12.650   1.813
  865    HA   MET 105           HA       MET 105   5.562  14.568   0.881
  866   1HB   MET 105          2HB       MET 105   5.434  12.973   2.978
  867   2HB   MET 105          1HB       MET 105   6.230  11.818   1.910
  868   1HG   MET 105          2HG       MET 105   8.154  13.132   1.703
  869   2HG   MET 105          1HG       MET 105   7.309  14.613   2.156
  870   1HE   MET 105          1HE       MET 105   7.566  15.672   4.287
  871   2HE   MET 105          2HE       MET 105   7.299  14.844   5.819
  872   3HE   MET 105          3HE       MET 105   6.066  14.776   4.562
  873    H    VAL 106           H        VAL 106   4.723  11.241  -0.091
  874    HA   VAL 106           HA       VAL 106   6.829  10.976  -2.070
  875    HB   VAL 106           HB       VAL 106   4.159   9.586  -1.650
  876   1HG1  VAL 106          1HG1      VAL 106   5.530   7.743  -2.965
  877   2HG1  VAL 106          2HG1      VAL 106   6.390   9.143  -3.607
  878   3HG1  VAL 106          3HG1      VAL 106   4.649   8.992  -3.845
  879   1HG2  VAL 106          1HG2      VAL 106   6.624   8.101  -1.123
  880   2HG2  VAL 106          2HG2      VAL 106   5.211   8.325  -0.093
  881   3HG2  VAL 106          3HG2      VAL 106   6.486   9.542  -0.115
  882    H    ALA 107           H        ALA 107   3.457  12.117  -2.126
  883    HA   ALA 107           HA       ALA 107   3.046  12.295  -4.933
  884   1HB   ALA 107          1HB       ALA 107   1.389  14.053  -4.238
  885   2HB   ALA 107          2HB       ALA 107   2.092  14.016  -2.621
  886   3HB   ALA 107          3HB       ALA 107   1.288  12.585  -3.266
  887    H    ASN 108           H        ASN 108   4.762  14.463  -2.699
  888    HA   ASN 108           HA       ASN 108   5.075  16.720  -4.427
  889   1HB   ASN 108          2HB       ASN 108   6.425  15.536  -2.036
  890   2HB   ASN 108          1HB       ASN 108   7.307  16.781  -2.919
  891   1HD2  ASN 108          1HD2      ASN 108   4.894  16.296  -0.541
  892   2HD2  ASN 108          2HD2      ASN 108   4.275  17.875  -0.517
  893    H    SER 109           H        SER 109   6.898  13.684  -4.140
  894    HA   SER 109           HA       SER 109   8.840  14.533  -6.219
  895   1HB   SER 109          2HB       SER 109  10.038  12.578  -5.519
  896   2HB   SER 109          1HB       SER 109   9.378  13.288  -4.050
  897    HG   SER 109           HG       SER 109   7.728  11.760  -4.103
  898    H    LEU 110           H        LEU 110   5.957  12.550  -5.885
  899    HA   LEU 110           HA       LEU 110   6.300  10.836  -8.162
  900   1HB   LEU 110          2HB       LEU 110   4.502  11.211  -6.088
  901   2HB   LEU 110          1HB       LEU 110   3.557  11.660  -7.505
  902    HG   LEU 110           HG       LEU 110   4.627   9.433  -8.497
  903   1HD1  LEU 110          1HD1      LEU 110   5.827   9.314  -6.103
  904   2HD1  LEU 110          2HD1      LEU 110   5.329   7.860  -6.968
  905   3HD1  LEU 110          3HD1      LEU 110   4.317   8.508  -5.678
  906   1HD2  LEU 110          1HD2      LEU 110   2.342   9.330  -8.473
  907   2HD2  LEU 110          2HD2      LEU 110   2.227   9.977  -6.837
  908   3HD2  LEU 110          3HD2      LEU 110   2.620   8.276  -7.088
  909    H    LYS 111           H        LYS 111   5.710  14.215  -8.038
  910    HA   LYS 111           HA       LYS 111   3.980  14.775 -10.169
  911   1HB   LYS 111          2HB       LYS 111   5.414  16.855 -10.380
  912   2HB   LYS 111          1HB       LYS 111   4.892  16.487  -8.737
  913   1HG   LYS 111          2HG       LYS 111   7.013  15.852  -8.054
  914   2HG   LYS 111          1HG       LYS 111   7.499  15.347  -9.670
  915   1HD   LYS 111          2HD       LYS 111   8.713  17.342  -9.336
  916   2HD   LYS 111          1HD       LYS 111   7.321  17.862 -10.286
  917   1HE   LYS 111          2HE       LYS 111   6.260  18.171  -7.828
  918   2HE   LYS 111          1HE       LYS 111   7.970  18.420  -7.426
  919   1HZ   LYS 111          1HZ       LYS 111   6.555  19.760  -9.674
  920   2HZ   LYS 111          2HZ       LYS 111   8.155  20.044  -9.174
  921   3HZ   LYS 111          3HZ       LYS 111   6.857  20.481  -8.169
  Start of MODEL    4
    1   1H    MET   1          1H        MET   1  20.293   2.783 -12.411
    2   2H    MET   1          2H        MET   1  19.405   3.493 -13.673
    3   3H    MET   1          3H        MET   1  19.854   1.858 -13.764
    4    HA   MET   1           HA       MET   1  17.554   1.902 -13.177
    5   1HB   MET   1          2HB       MET   1  19.687   1.168 -11.221
    6   2HB   MET   1          1HB       MET   1  18.026   1.110 -10.634
    7   1HG   MET   1          2HG       MET   1  18.092  -0.997 -11.528
    8   2HG   MET   1          1HG       MET   1  17.703  -0.133 -13.016
    9   1HE   MET   1          1HE       MET   1  18.654  -0.617 -14.932
   10   2HE   MET   1          2HE       MET   1  18.815  -2.295 -14.417
   11   3HE   MET   1          3HE       MET   1  20.151  -1.504 -15.249
   12    H    ASN   2           H        ASN   2  16.207   2.339 -10.944
   13    HA   ASN   2           HA       ASN   2  16.186   5.281 -10.650
   14   1HB   ASN   2          2HB       ASN   2  14.386   2.964 -10.217
   15   2HB   ASN   2          1HB       ASN   2  14.162   4.306  -9.096
   16   1HD2  ASN   2          1HD2      ASN   2  12.808   5.943  -9.852
   17   2HD2  ASN   2          2HD2      ASN   2  12.472   6.248 -11.486
   18    H    GLU   3           H        GLU   3  17.107   6.312  -8.922
   19    HA   GLU   3           HA       GLU   3  18.240   4.720  -6.701
   20   1HB   GLU   3          2HB       GLU   3  19.242   6.743  -8.067
   21   2HB   GLU   3          1HB       GLU   3  18.301   7.722  -6.941
   22   1HG   GLU   3          2HG       GLU   3  19.534   5.860  -5.287
   23   2HG   GLU   3          1HG       GLU   3  20.777   6.228  -6.483
   24    H    VAL   4           H        VAL   4  15.968   4.130  -5.954
   25    HA   VAL   4           HA       VAL   4  14.795   6.318  -4.261
   26    HB   VAL   4           HB       VAL   4  13.559   4.117  -5.931
   27   1HG1  VAL   4          1HG1      VAL   4  11.580   4.183  -4.777
   28   2HG1  VAL   4          2HG1      VAL   4  11.786   5.871  -4.316
   29   3HG1  VAL   4          3HG1      VAL   4  12.631   4.606  -3.428
   30   1HG2  VAL   4          1HG2      VAL   4  14.100   6.804  -6.407
   31   2HG2  VAL   4          2HG2      VAL   4  12.394   6.801  -5.960
   32   3HG2  VAL   4          3HG2      VAL   4  12.955   5.808  -7.305
   33    H    SER   5           H        SER   5  14.417   5.803  -2.124
   34    HA   SER   5           HA       SER   5  15.124   3.031  -1.213
   35   1HB   SER   5          2HB       SER   5  15.706   5.787  -0.313
   36   2HB   SER   5          1HB       SER   5  15.250   4.687   0.985
   37    HG   SER   5           HG       SER   5  17.581   4.852   0.157
   38    H    VAL   6           H        VAL   6  13.955   2.708   1.111
   39    HA   VAL   6           HA       VAL   6  11.072   2.856   0.563
   40    HB   VAL   6           HB       VAL   6  12.837   1.702   2.726
   41   1HG1  VAL   6          1HG1      VAL   6   9.925   2.275   2.797
   42   2HG1  VAL   6          2HG1      VAL   6  11.062   2.054   4.127
   43   3HG1  VAL   6          3HG1      VAL   6  10.401   0.651   3.289
   44   1HG2  VAL   6          1HG2      VAL   6  11.098   0.655   0.496
   45   2HG2  VAL   6          2HG2      VAL   6  11.540  -0.379   1.854
   46   3HG2  VAL   6          3HG2      VAL   6  12.796   0.308   0.824
   47    H    ILE   7           H        ILE   7   9.616   4.240   1.528
   48    HA   ILE   7           HA       ILE   7  10.725   6.476   3.149
   49    HB   ILE   7           HB       ILE   7   8.094   5.994   1.711
   50   1HG1  ILE   7          2HG1      ILE   7   9.977   6.323   0.190
   51   2HG1  ILE   7          1HG1      ILE   7   8.974   7.772   0.188
   52   1HG2  ILE   7          1HG2      ILE   7   7.727   8.447   2.121
   53   2HG2  ILE   7          2HG2      ILE   7   9.113   8.423   3.211
   54   3HG2  ILE   7          3HG2      ILE   7   7.678   7.468   3.587
   55   1HD1  ILE   7          1HD1      ILE   7  11.683   7.348   1.428
   56   2HD1  ILE   7          2HD1      ILE   7  10.603   8.582   2.077
   57   3HD1  ILE   7          3HD1      ILE   7  11.128   8.666   0.396
   58    H    LYS   8           H        LYS   8   7.945   4.191   3.236
   59    HA   LYS   8           HA       LYS   8   8.050   4.340   6.225
   60   1HB   LYS   8          2HB       LYS   8   5.721   4.818   4.357
   61   2HB   LYS   8          1HB       LYS   8   5.473   4.379   6.046
   62   1HG   LYS   8          2HG       LYS   8   7.063   6.773   5.068
   63   2HG   LYS   8          1HG       LYS   8   5.436   6.837   5.741
   64   1HD   LYS   8          2HD       LYS   8   7.866   5.784   7.221
   65   2HD   LYS   8          1HD       LYS   8   7.200   7.403   7.416
   66   1HE   LYS   8          2HE       LYS   8   5.348   6.651   8.581
   67   2HE   LYS   8          1HE       LYS   8   5.317   5.093   7.735
   68   1HZ   LYS   8          1HZ       LYS   8   7.536   4.666   8.864
   69   2HZ   LYS   8          2HZ       LYS   8   6.159   4.609   9.856
   70   3HZ   LYS   8          3HZ       LYS   8   7.166   5.977   9.877
   71    H    GLU   9           H        GLU   9   7.700   2.380   7.218
   72    HA   GLU   9           HA       GLU   9   6.756   0.075   5.539
   73   1HB   GLU   9          2HB       GLU   9   8.979   0.169   7.613
   74   2HB   GLU   9          1HB       GLU   9   8.472  -1.269   6.725
   75   1HG   GLU   9          2HG       GLU   9   9.026  -0.073   4.589
   76   2HG   GLU   9          1HG       GLU   9   9.676   1.252   5.552
   77    H    GLY  10           H        GLY  10   5.140  -1.129   6.538
   78   1HA   GLY  10          2HA       GLY  10   4.910  -1.326   9.427
   79   2HA   GLY  10          1HA       GLY  10   3.695  -0.245   8.751
   80    H    TRP  11           H        TRP  11   2.752  -2.474   9.994
   81    HA   TRP  11           HA       TRP  11   2.231  -4.494   7.857
   82   1HB   TRP  11          2HB       TRP  11   2.348  -4.422  10.820
   83   2HB   TRP  11          1HB       TRP  11   1.103  -5.471  10.139
   84    HD1  TRP  11           HD       TRP  11   4.900  -4.829   9.828
   85    HE1  TRP  11           1HE      TRP  11   6.037  -7.037   9.112
   86    HE3  TRP  11           3HE      TRP  11   0.785  -7.794   9.216
   87    HZ2  TRP  11           2HZ      TRP  11   5.300  -9.691   8.394
   88    HZ3  TRP  11           3HZ      TRP  11   1.039 -10.158   8.515
   89    HH2  TRP  11           HH       TRP  11   3.292 -11.108   8.100
   90    H    LEU  12           H        LEU  12   0.253  -4.594   6.892
   91    HA   LEU  12           HA       LEU  12  -2.015  -3.030   8.093
   92   1HB   LEU  12          2HB       LEU  12  -1.318  -3.475   5.168
   93   2HB   LEU  12          1HB       LEU  12  -2.622  -2.462   5.781
   94    HG   LEU  12           HG       LEU  12   0.324  -2.013   6.355
   95   1HD1  LEU  12          1HD1      LEU  12  -0.979  -1.557   3.968
   96   2HD1  LEU  12          2HD1      LEU  12   0.443  -0.677   4.525
   97   3HD1  LEU  12          3HD1      LEU  12  -1.166  -0.013   4.797
   98   1HD2  LEU  12          1HD2      LEU  12  -0.324  -0.389   7.790
   99   2HD2  LEU  12          2HD2      LEU  12  -1.907  -1.161   7.767
  100   3HD2  LEU  12          3HD2      LEU  12  -1.573   0.196   6.693
  101    H    HIS  13           H        HIS  13  -4.178  -3.904   7.482
  102    HA   HIS  13           HA       HIS  13  -4.083  -6.881   7.106
  103   1HB   HIS  13          2HB       HIS  13  -5.831  -4.941   8.594
  104   2HB   HIS  13          1HB       HIS  13  -6.505  -6.496   8.102
  105    HD1  HIS  13           1HD      HIS  13  -5.900  -8.498   9.509
  106    HD2  HIS  13           2HD      HIS  13  -3.410  -5.243  10.270
  107    HE1  HIS  13           1HE      HIS  13  -4.449  -9.151  11.478
  108    H    LYS  14           H        LYS  14  -4.889  -7.661   5.199
  109    HA   LYS  14           HA       LYS  14  -6.732  -5.906   3.600
  110   1HB   LYS  14          2HB       LYS  14  -4.317  -6.235   2.828
  111   2HB   LYS  14          1HB       LYS  14  -4.735  -7.924   2.548
  112   1HG   LYS  14          2HG       LYS  14  -5.075  -6.865   0.449
  113   2HG   LYS  14          1HG       LYS  14  -6.692  -7.033   1.134
  114   1HD   LYS  14          2HD       LYS  14  -6.649  -4.719   1.909
  115   2HD   LYS  14          1HD       LYS  14  -4.984  -4.538   1.358
  116   1HE   LYS  14          2HE       LYS  14  -6.474  -5.512  -0.867
  117   2HE   LYS  14          1HE       LYS  14  -7.399  -4.172  -0.160
  118   1HZ   LYS  14          1HZ       LYS  14  -4.506  -4.132  -0.856
  119   2HZ   LYS  14          2HZ       LYS  14  -5.340  -2.868  -0.085
  120   3HZ   LYS  14          3HZ       LYS  14  -5.742  -3.307  -1.673
  121    H    ARG  15           H        ARG  15  -8.565  -6.892   2.773
  122    HA   ARG  15           HA       ARG  15  -9.395  -9.471   3.835
  123   1HB   ARG  15          2HB       ARG  15 -10.856  -7.477   3.397
  124   2HB   ARG  15          1HB       ARG  15 -10.599  -7.714   1.669
  125   1HG   ARG  15          2HG       ARG  15 -11.373 -10.236   2.705
  126   2HG   ARG  15          1HG       ARG  15 -12.468  -9.054   3.420
  127   1HD   ARG  15          2HD       ARG  15 -13.528  -9.613   1.376
  128   2HD   ARG  15          1HD       ARG  15 -12.664  -8.119   0.971
  129    HE   ARG  15           HE       ARG  15 -10.747  -9.787   0.307
  130   1HH1  ARG  15          1HH2      ARG  15 -14.167 -10.295  -0.134
  131   2HH1  ARG  15          2HH2      ARG  15 -13.943 -11.440  -1.409
  132   1HH2  ARG  15          1HH1      ARG  15 -10.482 -11.274  -1.349
  133   2HH2  ARG  15          2HH1      ARG  15 -11.870 -11.990  -2.096
  134    H    GLY  16           H        GLY  16  -8.705 -11.393   2.945
  135   1HA   GLY  16          2HA       GLY  16  -8.702 -11.698   0.007
  136   2HA   GLY  16          1HA       GLY  16  -7.150 -11.944   0.807
  137    H    GLU  17           H        GLU  17 -10.531 -12.924   1.547
  138    HA   GLU  17           HA       GLU  17  -9.663 -15.770   1.471
  139   1HB   GLU  17          2HB       GLU  17  -9.962 -14.175   3.822
  140   2HB   GLU  17          1HB       GLU  17 -11.285 -15.341   3.799
  141   1HG   GLU  17          2HG       GLU  17  -9.587 -17.146   3.346
  142   2HG   GLU  17          1HG       GLU  17  -8.322 -15.944   3.602
  143    H    TYR  18           H        TYR  18 -11.497 -17.241   1.367
  144    HA   TYR  18           HA       TYR  18 -13.633 -16.400  -0.317
  145   1HB   TYR  18          2HB       TYR  18 -14.455 -18.664   0.038
  146   2HB   TYR  18          1HB       TYR  18 -12.697 -18.709  -0.039
  147    HD1  TYR  18           1HD      TYR  18 -11.359 -19.237   1.923
  148    HD2  TYR  18           2HD      TYR  18 -15.637 -18.934   2.194
  149    HE1  TYR  18           1HE      TYR  18 -11.293 -20.286   4.168
  150    HE2  TYR  18           2HE      TYR  18 -15.568 -19.984   4.438
  151    HH   TYR  18           HH       TYR  18 -12.871 -20.219   6.276
  152    H    ILE  19           H        ILE  19 -13.378 -16.312   3.187
  153    HA   ILE  19           HA       ILE  19 -16.313 -15.778   3.406
  154    HB   ILE  19           HB       ILE  19 -15.145 -17.586   4.742
  155   1HG1  ILE  19          2HG1      ILE  19 -16.162 -15.584   6.712
  156   2HG1  ILE  19          1HG1      ILE  19 -17.248 -16.070   5.411
  157   1HG2  ILE  19          1HG2      ILE  19 -13.594 -17.064   6.415
  158   2HG2  ILE  19          2HG2      ILE  19 -14.067 -15.366   6.459
  159   3HG2  ILE  19          3HG2      ILE  19 -13.113 -15.981   5.109
  160   1HD1  ILE  19          1HD1      ILE  19 -17.745 -17.731   6.931
  161   2HD1  ILE  19          2HD1      ILE  19 -16.141 -17.687   7.662
  162   3HD1  ILE  19          3HD1      ILE  19 -16.383 -18.503   6.118
  163    H    LYS  20           H        LYS  20 -14.134 -13.813   2.483
  164    HA   LYS  20           HA       LYS  20 -13.687 -11.518   2.757
  165   1HB   LYS  20          2HB       LYS  20 -16.304 -11.884   3.092
  166   2HB   LYS  20          1HB       LYS  20 -15.933 -11.381   4.741
  167   1HG   LYS  20          2HG       LYS  20 -16.219  -9.282   3.887
  168   2HG   LYS  20          1HG       LYS  20 -14.557  -9.496   3.342
  169   1HD   LYS  20          2HD       LYS  20 -15.309  -9.185   1.238
  170   2HD   LYS  20          1HD       LYS  20 -16.100 -10.754   1.372
  171   1HE   LYS  20          2HE       LYS  20 -18.002  -9.534   0.956
  172   2HE   LYS  20          1HE       LYS  20 -17.901  -9.152   2.685
  173   1HZ   LYS  20          1HZ       LYS  20 -17.989  -7.197   1.066
  174   2HZ   LYS  20          2HZ       LYS  20 -16.386  -7.598   0.663
  175   3HZ   LYS  20          3HZ       LYS  20 -16.783  -7.159   2.257
  176    H    THR  21           H        THR  21 -11.995 -13.049   4.304
  177    HA   THR  21           HA       THR  21 -12.055 -11.926   7.069
  178    HB   THR  21           HB       THR  21 -10.351 -14.051   5.731
  179    HG1  THR  21           1HG      THR  21 -11.651 -15.448   6.918
  180   1HG2  THR  21          1HG2      THR  21  -9.150 -13.000   7.588
  181   2HG2  THR  21          2HG2      THR  21  -9.672 -14.619   8.051
  182   3HG2  THR  21          3HG2      THR  21 -10.554 -13.208   8.635
  183    H    TRP  22           H        TRP  22 -10.305 -10.692   7.866
  184    HA   TRP  22           HA       TRP  22  -8.596  -9.405   5.778
  185   1HB   TRP  22          2HB       TRP  22  -9.399  -8.658   8.614
  186   2HB   TRP  22          1HB       TRP  22  -8.319  -7.690   7.613
  187    HD1  TRP  22           HD       TRP  22 -11.959  -8.841   7.855
  188    HE1  TRP  22           1HE      TRP  22 -13.409  -7.327   6.357
  189    HE3  TRP  22           3HE      TRP  22  -8.304  -6.120   5.553
  190    HZ2  TRP  22           2HZ      TRP  22 -13.065  -5.237   4.436
  191    HZ3  TRP  22           3HZ      TRP  22  -8.892  -4.376   3.896
  192    HH2  TRP  22           HH       TRP  22 -11.265  -3.931   3.333
  193    H    ARG  23           H        ARG  23  -6.592 -10.356   5.616
  194    HA   ARG  23           HA       ARG  23  -5.363 -11.577   8.048
  195   1HB   ARG  23          2HB       ARG  23  -4.715 -11.738   5.085
  196   2HB   ARG  23          1HB       ARG  23  -3.873 -12.638   6.344
  197   1HG   ARG  23          2HG       ARG  23  -6.827 -12.857   5.671
  198   2HG   ARG  23          1HG       ARG  23  -5.589 -14.052   5.292
  199   1HD   ARG  23          2HD       ARG  23  -6.159 -13.166   8.139
  200   2HD   ARG  23          1HD       ARG  23  -6.968 -14.549   7.388
  201    HE   ARG  23           HE       ARG  23  -4.021 -14.333   7.852
  202   1HH1  ARG  23          1HH2      ARG  23  -6.820 -16.195   6.893
  203   2HH1  ARG  23          2HH2      ARG  23  -6.000 -17.709   7.058
  204   1HH2  ARG  23          1HH1      ARG  23  -2.987 -16.319   8.047
  205   2HH2  ARG  23          2HH1      ARG  23  -3.848 -17.783   7.706
  206    HA   PRO  24           HA       PRO  24  -2.526  -8.223   8.396
  207   1HB   PRO  24          2HB       PRO  24  -0.501  -9.486   9.736
  208   2HB   PRO  24          1HB       PRO  24  -2.036  -9.033  10.502
  209   1HG   PRO  24          2HG       PRO  24  -1.129 -11.682   9.506
  210   2HG   PRO  24          1HG       PRO  24  -2.091 -11.281  10.937
  211   1HD   PRO  24          2HD       PRO  24  -3.148 -12.261   8.613
  212   2HD   PRO  24          1HD       PRO  24  -4.052 -11.261   9.770
  213    H    ARG  25           H        ARG  25  -0.970  -7.386   7.048
  214    HA   ARG  25           HA       ARG  25   0.906  -9.240   5.618
  215   1HB   ARG  25          2HB       ARG  25  -1.140  -7.305   4.561
  216   2HB   ARG  25          1HB       ARG  25   0.338  -7.572   3.638
  217   1HG   ARG  25          2HG       ARG  25  -0.884  -9.278   2.730
  218   2HG   ARG  25          1HG       ARG  25  -0.327 -10.137   4.166
  219   1HD   ARG  25          2HD       ARG  25  -2.391  -9.981   5.227
  220   2HD   ARG  25          1HD       ARG  25  -2.838  -8.498   4.363
  221    HE   ARG  25           HE       ARG  25  -3.657  -9.835   2.602
  222   1HH1  ARG  25          1HH2      ARG  25  -1.499 -11.650   4.641
  223   2HH1  ARG  25          2HH2      ARG  25  -1.799 -13.147   3.827
  224   1HH2  ARG  25          1HH1      ARG  25  -4.044 -11.794   1.552
  225   2HH2  ARG  25          2HH1      ARG  25  -3.231 -13.228   2.079
  226    H    TYR  26           H        TYR  26   2.986  -8.321   5.366
  227    HA   TYR  26           HA       TYR  26   3.522  -5.788   6.768
  228   1HB   TYR  26          2HB       TYR  26   5.021  -7.788   6.857
  229   2HB   TYR  26          1HB       TYR  26   5.325  -7.616   5.138
  230    HD1  TYR  26           1HD      TYR  26   4.891  -4.499   6.952
  231    HD2  TYR  26           2HD      TYR  26   7.767  -7.473   5.790
  232    HE1  TYR  26           1HE      TYR  26   6.729  -2.903   7.411
  233    HE2  TYR  26           2HE      TYR  26   9.602  -5.875   6.251
  234    HH   TYR  26           HH       TYR  26   9.575  -3.003   6.275
  235    H    PHE  27           H        PHE  27   2.956  -3.932   5.675
  236    HA   PHE  27           HA       PHE  27   3.283  -3.833   2.711
  237   1HB   PHE  27          2HB       PHE  27   1.589  -2.572   4.787
  238   2HB   PHE  27          1HB       PHE  27   2.047  -1.519   3.449
  239    HD1  PHE  27           1HD      PHE  27   0.799  -5.006   4.072
  240    HD2  PHE  27           2HD      PHE  27   0.774  -1.570   1.493
  241    HE1  PHE  27           1HE      PHE  27  -0.895  -6.101   2.630
  242    HE2  PHE  27           2HE      PHE  27  -0.919  -2.666   0.050
  243    HZ   PHE  27           HZ       PHE  27  -1.753  -4.932   0.619
  244    H    LEU  28           H        LEU  28   4.805  -2.559   1.762
  245    HA   LEU  28           HA       LEU  28   6.386  -0.672   3.494
  246   1HB   LEU  28          2HB       LEU  28   7.169  -2.741   1.437
  247   2HB   LEU  28          1HB       LEU  28   8.250  -1.404   1.821
  248    HG   LEU  28           HG       LEU  28   7.924  -2.098   4.292
  249   1HD1  LEU  28          1HD1      LEU  28   6.268  -3.671   4.463
  250   2HD1  LEU  28          2HD1      LEU  28   7.587  -4.783   4.109
  251   3HD1  LEU  28          3HD1      LEU  28   6.509  -4.254   2.817
  252   1HD2  LEU  28          1HD2      LEU  28   9.340  -4.036   2.436
  253   2HD2  LEU  28          2HD2      LEU  28   9.735  -3.715   4.124
  254   3HD2  LEU  28          3HD2      LEU  28   9.986  -2.464   2.907
  255    H    LEU  29           H        LEU  29   6.615   1.392   2.630
  256    HA   LEU  29           HA       LEU  29   5.625   1.827  -0.174
  257   1HB   LEU  29          2HB       LEU  29   4.858   2.914   2.293
  258   2HB   LEU  29          1HB       LEU  29   5.833   4.179   1.546
  259    HG   LEU  29           HG       LEU  29   3.464   2.775   0.272
  260   1HD1  LEU  29          1HD1      LEU  29   2.239   4.740   0.649
  261   2HD1  LEU  29          2HD1      LEU  29   3.689   5.709   0.904
  262   3HD1  LEU  29          3HD1      LEU  29   3.161   4.571   2.143
  263   1HD2  LEU  29          1HD2      LEU  29   5.382   4.892  -0.743
  264   2HD2  LEU  29          2HD2      LEU  29   3.806   4.602  -1.478
  265   3HD2  LEU  29          3HD2      LEU  29   5.022   3.327  -1.471
  266    H    LYS  30           H        LYS  30   7.071   2.711  -1.634
  267    HA   LYS  30           HA       LYS  30   9.787   3.451  -0.630
  268   1HB   LYS  30          2HB       LYS  30   8.601   2.131  -2.972
  269   2HB   LYS  30          1HB       LYS  30   9.835   3.314  -3.401
  270   1HG   LYS  30          2HG       LYS  30  10.742   1.783  -1.136
  271   2HG   LYS  30          1HG       LYS  30  10.232   0.683  -2.416
  272   1HD   LYS  30          2HD       LYS  30  11.610   2.088  -4.024
  273   2HD   LYS  30          1HD       LYS  30  12.267   2.914  -2.612
  274   1HE   LYS  30          2HE       LYS  30  13.855   1.241  -2.779
  275   2HE   LYS  30          1HE       LYS  30  12.648   0.338  -1.840
  276   1HZ   LYS  30          1HZ       LYS  30  13.095   0.314  -4.766
  277   2HZ   LYS  30          2HZ       LYS  30  11.610  -0.174  -4.100
  278   3HZ   LYS  30          3HZ       LYS  30  13.037  -1.000  -3.698
  279    H    SER  31           H        SER  31  10.839   5.192  -2.171
  280    HA   SER  31           HA       SER  31   9.155   7.612  -2.040
  281   1HB   SER  31          2HB       SER  31  11.585   7.390  -1.326
  282   2HB   SER  31          1HB       SER  31  11.999   7.250  -3.031
  283    HG   SER  31           HG       SER  31  10.814   9.428  -1.659
  284    H    ASP  32           H        ASP  32   9.538   5.220  -4.374
  285    HA   ASP  32           HA       ASP  32   9.468   7.083  -6.696
  286   1HB   ASP  32          2HB       ASP  32  10.828   4.836  -6.330
  287   2HB   ASP  32          1HB       ASP  32   9.322   4.089  -6.860
  288    H    GLY  33           H        GLY  33   7.184   5.961  -4.592
  289   1HA   GLY  33          2HA       GLY  33   4.822   6.079  -4.839
  290   2HA   GLY  33          1HA       GLY  33   5.038   6.236  -6.583
  291    H    SER  34           H        SER  34   6.548   3.692  -4.661
  292    HA   SER  34           HA       SER  34   4.767   1.695  -6.023
  293   1HB   SER  34          2HB       SER  34   6.824   0.247  -5.974
  294   2HB   SER  34          1HB       SER  34   7.024   1.703  -6.941
  295    HG   SER  34           HG       SER  34   8.229   0.940  -4.579
  296    H    PHE  35           H        PHE  35   3.830   0.179  -4.696
  297    HA   PHE  35           HA       PHE  35   4.488   0.299  -1.769
  298   1HB   PHE  35          2HB       PHE  35   2.132   0.691  -3.201
  299   2HB   PHE  35          1HB       PHE  35   1.972  -0.961  -2.608
  300    HD1  PHE  35           1HD      PHE  35   3.239  -1.003  -0.034
  301    HD2  PHE  35           2HD      PHE  35   0.930   2.141  -1.834
  302    HE1  PHE  35           1HE      PHE  35   2.661  -0.139   2.213
  303    HE2  PHE  35           2HE      PHE  35   0.354   3.005   0.414
  304    HZ   PHE  35           HZ       PHE  35   1.220   1.866   2.441
  305    H    ILE  36           H        ILE  36   5.266  -1.573  -0.844
  306    HA   ILE  36           HA       ILE  36   5.234  -4.077  -2.485
  307    HB   ILE  36           HB       ILE  36   7.013  -2.877  -0.370
  308   1HG1  ILE  36          2HG1      ILE  36   8.735  -3.754  -2.068
  309   2HG1  ILE  36          1HG1      ILE  36   7.362  -4.078  -3.125
  310   1HG2  ILE  36          1HG2      ILE  36   8.215  -5.103  -0.298
  311   2HG2  ILE  36          2HG2      ILE  36   6.810  -5.815  -1.094
  312   3HG2  ILE  36          3HG2      ILE  36   6.646  -5.096   0.509
  313   1HD1  ILE  36          1HD1      ILE  36   7.549  -1.369  -1.874
  314   2HD1  ILE  36          2HD1      ILE  36   6.901  -1.837  -3.446
  315   3HD1  ILE  36          3HD1      ILE  36   8.646  -1.742  -3.205
  316    H    GLY  37           H        GLY  37   3.901  -5.704  -1.803
  317   1HA   GLY  37          2HA       GLY  37   2.770  -5.499   0.957
  318   2HA   GLY  37          1HA       GLY  37   1.903  -6.186  -0.414
  319    H    TYR  38           H        TYR  38   3.058  -7.180   2.328
  320    HA   TYR  38           HA       TYR  38   4.382  -9.660   1.263
  321   1HB   TYR  38          2HB       TYR  38   4.526  -8.086   3.829
  322   2HB   TYR  38          1HB       TYR  38   5.082  -9.756   3.766
  323    HD1  TYR  38           1HD      TYR  38   6.368  -6.665   3.841
  324    HD2  TYR  38           2HD      TYR  38   6.346 -10.047   1.204
  325    HE1  TYR  38           1HE      TYR  38   8.521  -5.926   2.882
  326    HE2  TYR  38           2HE      TYR  38   8.500  -9.309   0.241
  327    HH   TYR  38           HH       TYR  38   9.667  -6.541   0.242
  328    H    LYS  39           H        LYS  39   3.294 -11.591   1.623
  329    HA   LYS  39           HA       LYS  39   0.595 -11.517   2.728
  330   1HB   LYS  39          2HB       LYS  39   0.529 -13.816   1.990
  331   2HB   LYS  39          1HB       LYS  39   1.413 -12.892   0.778
  332   1HG   LYS  39          2HG       LYS  39   3.526 -13.708   1.568
  333   2HG   LYS  39          1HG       LYS  39   2.793 -14.397   3.017
  334   1HD   LYS  39          2HD       LYS  39   1.351 -15.774   1.317
  335   2HD   LYS  39          1HD       LYS  39   2.635 -15.373   0.176
  336   1HE   LYS  39          2HE       LYS  39   3.441 -16.427   2.867
  337   2HE   LYS  39          1HE       LYS  39   2.804 -17.572   1.671
  338   1HZ   LYS  39          1HZ       LYS  39   5.152 -17.351   1.321
  339   2HZ   LYS  39          2HZ       LYS  39   5.043 -15.656   1.283
  340   3HZ   LYS  39          3HZ       LYS  39   4.356 -16.582   0.035
  341    H    GLU  40           H        GLU  40   3.762 -12.552   3.951
  342    HA   GLU  40           HA       GLU  40   2.916 -12.517   6.701
  343   1HB   GLU  40          2HB       GLU  40   1.978 -14.734   5.301
  344   2HB   GLU  40          1HB       GLU  40   3.436 -15.346   6.084
  345   1HG   GLU  40          2HG       GLU  40   1.184 -13.877   7.491
  346   2HG   GLU  40          1HG       GLU  40   1.444 -15.620   7.535
  347    H    ARG  41           H        ARG  41   4.797 -12.408   7.931
  348    HA   ARG  41           HA       ARG  41   7.204 -13.903   7.518
  349   1HB   ARG  41          2HB       ARG  41   8.508 -12.014   6.418
  350   2HB   ARG  41          1HB       ARG  41   7.308 -12.777   5.377
  351   1HG   ARG  41          2HG       ARG  41   5.730 -10.985   5.756
  352   2HG   ARG  41          1HG       ARG  41   6.749 -10.287   7.014
  353   1HD   ARG  41          2HD       ARG  41   6.853  -9.191   4.685
  354   2HD   ARG  41          1HD       ARG  41   8.404  -9.616   5.436
  355    HE   ARG  41           HE       ARG  41   7.161 -11.726   3.775
  356   1HH1  ARG  41          1HH2      ARG  41   9.370  -9.067   3.927
  357   2HH1  ARG  41          2HH2      ARG  41  10.428  -9.719   2.724
  358   1HH2  ARG  41          1HH1      ARG  41   8.552 -12.587   2.225
  359   2HH2  ARG  41          2HH1      ARG  41   9.963 -11.700   1.756
  360    HA   PRO  42           HA       PRO  42   8.272 -11.460  11.080
  361   1HB   PRO  42          2HB       PRO  42  10.974 -11.856  11.177
  362   2HB   PRO  42          1HB       PRO  42   9.807 -13.130  11.580
  363   1HG   PRO  42          2HG       PRO  42  11.479 -12.802   9.177
  364   2HG   PRO  42          1HG       PRO  42  10.820 -14.271   9.906
  365   1HD   PRO  42          2HD       PRO  42   9.827 -12.918   7.642
  366   2HD   PRO  42          1HD       PRO  42   9.037 -14.241   8.524
  367    H    GLU  43           H        GLU  43   8.407  -9.225  11.121
  368    HA   GLU  43           HA       GLU  43   9.445  -7.676   8.919
  369   1HB   GLU  43          2HB       GLU  43   9.120  -5.781  10.650
  370   2HB   GLU  43          1HB       GLU  43   7.702  -6.719  10.203
  371   1HG   GLU  43          2HG       GLU  43   9.107  -7.941  12.444
  372   2HG   GLU  43          1HG       GLU  43   8.654  -6.275  12.800
  373    H    ALA  44           H        ALA  44  10.926  -8.866  11.878
  374    HA   ALA  44           HA       ALA  44  13.191  -8.882  12.547
  375   1HB   ALA  44          1HB       ALA  44  14.131  -7.347  10.202
  376   2HB   ALA  44          2HB       ALA  44  13.196  -8.787   9.802
  377   3HB   ALA  44          3HB       ALA  44  14.648  -8.928  10.790
  378    HA   PRO  45           HA       PRO  45  13.872  -4.954  14.393
  379   1HB   PRO  45          2HB       PRO  45  16.595  -4.916  14.719
  380   2HB   PRO  45          1HB       PRO  45  15.513  -5.920  15.707
  381   1HG   PRO  45          2HG       PRO  45  17.186  -6.682  13.362
  382   2HG   PRO  45          1HG       PRO  45  16.876  -7.570  14.863
  383   1HD   PRO  45          2HD       PRO  45  15.630  -8.147  12.520
  384   2HD   PRO  45          1HD       PRO  45  14.879  -8.414  14.109
  385    H    ASP  46           H        ASP  46  16.152  -5.672  11.729
  386    HA   ASP  46           HA       ASP  46  16.221  -2.776  11.022
  387   1HB   ASP  46          2HB       ASP  46  18.327  -4.086  11.361
  388   2HB   ASP  46          1HB       ASP  46  17.856  -5.141  10.032
  389    H    GLN  47           H        GLN  47  16.807  -5.138   8.516
  390    HA   GLN  47           HA       GLN  47  14.104  -5.330   7.510
  391   1HB   GLN  47          2HB       GLN  47  15.498  -2.882   7.111
  392   2HB   GLN  47          1HB       GLN  47  15.424  -3.690   5.545
  393   1HG   GLN  47          2HG       GLN  47  12.975  -3.543   7.292
  394   2HG   GLN  47          1HG       GLN  47  13.421  -2.177   6.270
  395   1HE2  GLN  47          1HE2      GLN  47  11.552  -4.948   6.255
  396   2HE2  GLN  47          2HE2      GLN  47  11.505  -5.235   4.582
  397    H    THR  48           H        THR  48  15.640  -7.438   7.710
  398    HA   THR  48           HA       THR  48  17.091  -7.858   5.127
  399    HB   THR  48           HB       THR  48  18.230  -8.312   7.302
  400    HG1  THR  48           1HG      THR  48  17.650 -10.638   5.783
  401   1HG2  THR  48          1HG2      THR  48  17.173  -9.385   8.971
  402   2HG2  THR  48          2HG2      THR  48  16.915 -10.792   7.941
  403   3HG2  THR  48          3HG2      THR  48  15.735  -9.483   7.955
  404    H    LEU  49           H        LEU  49  14.432  -7.709   4.759
  405    HA   LEU  49           HA       LEU  49  13.446 -10.537   4.611
  406   1HB   LEU  49          2HB       LEU  49  12.275  -7.878   5.235
  407   2HB   LEU  49          1HB       LEU  49  11.259  -8.948   4.282
  408    HG   LEU  49           HG       LEU  49  10.815  -9.276   6.670
  409   1HD1  LEU  49          1HD1      LEU  49  10.960 -11.644   6.721
  410   2HD1  LEU  49          2HD1      LEU  49  12.423 -11.657   5.737
  411   3HD1  LEU  49          3HD1      LEU  49  10.873 -11.234   5.009
  412   1HD2  LEU  49          1HD2      LEU  49  13.257  -8.583   7.252
  413   2HD2  LEU  49          2HD2      LEU  49  13.634 -10.289   7.011
  414   3HD2  LEU  49          3HD2      LEU  49  12.477  -9.808   8.251
  415    HA   PRO  50           HA       PRO  50  13.779  -9.946   0.203
  416   1HB   PRO  50          2HB       PRO  50  12.604 -12.299  -0.548
  417   2HB   PRO  50          1HB       PRO  50  14.261 -12.204   0.080
  418   1HG   PRO  50          2HG       PRO  50  11.768 -13.060   1.442
  419   2HG   PRO  50          1HG       PRO  50  13.421 -13.661   1.627
  420   1HD   PRO  50          2HD       PRO  50  12.170 -11.946   3.383
  421   2HD   PRO  50          1HD       PRO  50  13.930 -12.119   3.219
  422    HA   PRO  51           HA       PRO  51   9.801  -8.359  -0.903
  423   1HB   PRO  51          2HB       PRO  51   9.984  -8.423  -3.633
  424   2HB   PRO  51          1HB       PRO  51  10.842  -7.237  -2.630
  425   1HG   PRO  51          2HG       PRO  51  11.856  -9.744  -3.877
  426   2HG   PRO  51          1HG       PRO  51  12.641  -8.164  -3.721
  427   1HD   PRO  51          2HD       PRO  51  13.218 -10.271  -2.107
  428   2HD   PRO  51          1HD       PRO  51  13.348  -8.579  -1.579
  429    H    LEU  52           H        LEU  52   7.733  -9.031  -1.755
  430    HA   LEU  52           HA       LEU  52   7.564 -11.870  -2.702
  431   1HB   LEU  52          2HB       LEU  52   6.994 -11.023  -0.157
  432   2HB   LEU  52          1HB       LEU  52   5.415 -10.866  -0.926
  433    HG   LEU  52           HG       LEU  52   6.875 -13.366  -1.548
  434   1HD1  LEU  52          1HD1      LEU  52   7.051 -12.608   1.058
  435   2HD1  LEU  52          2HD1      LEU  52   6.932 -14.289   0.541
  436   3HD1  LEU  52          3HD1      LEU  52   5.490 -13.424   1.072
  437   1HD2  LEU  52          1HD2      LEU  52   4.661 -14.295  -1.415
  438   2HD2  LEU  52          2HD2      LEU  52   4.502 -12.734  -2.219
  439   3HD2  LEU  52          3HD2      LEU  52   4.062 -12.899  -0.519
  440    H    ASN  53           H        ASN  53   5.525  -8.960  -2.114
  441    HA   ASN  53           HA       ASN  53   4.413  -9.306  -4.885
  442   1HB   ASN  53          2HB       ASN  53   2.951  -8.453  -2.360
  443   2HB   ASN  53          1HB       ASN  53   2.229  -8.652  -3.953
  444   1HD2  ASN  53          1HD2      ASN  53   2.622 -10.983  -4.922
  445   2HD2  ASN  53          2HD2      ASN  53   2.471 -12.273  -3.830
  446    H    ASN  54           H        ASN  54   4.589  -7.446  -6.102
  447    HA   ASN  54           HA       ASN  54   5.270  -4.909  -4.651
  448   1HB   ASN  54          2HB       ASN  54   6.739  -6.320  -6.462
  449   2HB   ASN  54          1HB       ASN  54   5.883  -5.212  -7.535
  450   1HD2  ASN  54          1HD2      ASN  54   6.133  -2.839  -7.070
  451   2HD2  ASN  54          2HD2      ASN  54   7.516  -2.296  -6.250
  452    H    PHE  55           H        PHE  55   4.033  -3.109  -5.049
  453    HA   PHE  55           HA       PHE  55   1.874  -3.310  -7.129
  454   1HB   PHE  55          2HB       PHE  55   1.030  -3.573  -4.842
  455   2HB   PHE  55          1HB       PHE  55   1.868  -2.106  -4.339
  456    HD1  PHE  55           1HD      PHE  55   0.451  -0.281  -4.050
  457    HD2  PHE  55           2HD      PHE  55  -0.358  -3.077  -7.208
  458    HE1  PHE  55           1HE      PHE  55  -1.502   1.076  -4.755
  459    HE2  PHE  55           2HE      PHE  55  -2.308  -1.721  -7.913
  460    HZ   PHE  55           HZ       PHE  55  -2.881   0.355  -6.686
  461    H    SER  56           H        SER  56   1.569  -1.463  -8.393
  462    HA   SER  56           HA       SER  56   3.557   0.750  -8.032
  463   1HB   SER  56          2HB       SER  56   2.624   1.086 -10.527
  464   2HB   SER  56          1HB       SER  56   3.885  -0.088 -10.167
  465    HG   SER  56           HG       SER  56   1.102  -0.509 -10.512
  466    H    VAL  57           H        VAL  57   2.774   2.734  -7.437
  467    HA   VAL  57           HA       VAL  57  -0.063   3.424  -8.043
  468    HB   VAL  57           HB       VAL  57  -0.063   2.417  -5.830
  469   1HG1  VAL  57          1HG1      VAL  57   2.237   4.308  -5.295
  470   2HG1  VAL  57          2HG1      VAL  57   2.230   2.549  -5.178
  471   3HG1  VAL  57          3HG1      VAL  57   1.336   3.513  -4.004
  472   1HG2  VAL  57          1HG2      VAL  57  -0.159   5.056  -4.703
  473   2HG2  VAL  57          2HG2      VAL  57  -1.502   4.006  -5.154
  474   3HG2  VAL  57          3HG2      VAL  57  -0.813   5.115  -6.339
  475    H    ALA  58           H        ALA  58   1.422   4.696  -9.632
  476    HA   ALA  58           HA       ALA  58   2.786   7.048  -8.454
  477   1HB   ALA  58          1HB       ALA  58   2.312   6.085 -11.295
  478   2HB   ALA  58          2HB       ALA  58   3.777   5.842 -10.342
  479   3HB   ALA  58          3HB       ALA  58   3.323   7.464 -10.865
  480    H    GLU  59           H        GLU  59  -0.152   6.269 -10.281
  481    HA   GLU  59           HA       GLU  59  -1.185   9.014  -9.699
  482   1HB   GLU  59          2HB       GLU  59  -2.098   8.997 -12.059
  483   2HB   GLU  59          1HB       GLU  59  -0.340   9.058 -11.972
  484   1HG   GLU  59          2HG       GLU  59  -0.236   7.195 -13.233
  485   2HG   GLU  59          1HG       GLU  59  -1.073   6.307 -11.961
  486    H    CYS  60           H        CYS  60  -1.849   6.776  -8.188
  487    HA   CYS  60           HA       CYS  60  -4.422   5.709  -9.236
  488   1HB   CYS  60          2HB       CYS  60  -2.661   5.117  -6.838
  489   2HB   CYS  60          1HB       CYS  60  -4.189   4.292  -7.141
  490    H    GLN  61           H        GLN  61  -5.970   5.404  -7.048
  491    HA   GLN  61           HA       GLN  61  -6.227   8.132  -5.824
  492   1HB   GLN  61          2HB       GLN  61  -8.658   7.931  -6.189
  493   2HB   GLN  61          1HB       GLN  61  -7.791   7.786  -7.717
  494   1HG   GLN  61          2HG       GLN  61  -7.966   5.164  -6.648
  495   2HG   GLN  61          1HG       GLN  61  -9.563   5.885  -6.461
  496   1HE2  GLN  61          1HE2      GLN  61  -7.016   6.100  -9.029
  497   2HE2  GLN  61          2HE2      GLN  61  -8.078   5.744 -10.301
  498    H    LEU  62           H        LEU  62  -6.481   8.084  -3.621
  499    HA   LEU  62           HA       LEU  62  -7.255   5.474  -2.350
  500   1HB   LEU  62          2HB       LEU  62  -4.811   6.162  -2.229
  501   2HB   LEU  62          1HB       LEU  62  -5.325   7.553  -1.273
  502    HG   LEU  62           HG       LEU  62  -6.465   5.023  -0.316
  503   1HD1  LEU  62          1HD1      LEU  62  -4.455   3.938  -0.867
  504   2HD1  LEU  62          2HD1      LEU  62  -4.168   4.472   0.789
  505   3HD1  LEU  62          3HD1      LEU  62  -3.482   5.377  -0.561
  506   1HD2  LEU  62          1HD2      LEU  62  -5.151   7.492   0.746
  507   2HD2  LEU  62          2HD2      LEU  62  -5.175   6.063   1.778
  508   3HD2  LEU  62          3HD2      LEU  62  -6.689   6.757   1.198
  509    H    MET  63           H        MET  63  -8.902   5.626  -0.869
  510    HA   MET  63           HA       MET  63  -9.729   8.356   0.070
  511   1HB   MET  63          2HB       MET  63 -11.205   7.618  -1.700
  512   2HB   MET  63          1HB       MET  63 -11.355   6.018  -0.976
  513   1HG   MET  63          2HG       MET  63 -13.187   6.775   0.098
  514   2HG   MET  63          1HG       MET  63 -12.117   7.791   1.062
  515   1HE   MET  63          1HE       MET  63 -10.977  10.013  -0.468
  516   2HE   MET  63          2HE       MET  63 -11.919  10.154   1.015
  517   3HE   MET  63          3HE       MET  63 -12.259  11.226  -0.341
  518    H    LYS  64           H        LYS  64 -10.110   8.476   2.265
  519    HA   LYS  64           HA       LYS  64  -9.601   6.103   3.935
  520   1HB   LYS  64          2HB       LYS  64  -9.673   7.743   5.746
  521   2HB   LYS  64          1HB       LYS  64  -8.748   8.421   4.409
  522   1HG   LYS  64          2HG       LYS  64 -11.361   9.185   3.830
  523   2HG   LYS  64          1HG       LYS  64 -11.268   9.345   5.583
  524   1HD   LYS  64          2HD       LYS  64  -8.911  10.375   4.126
  525   2HD   LYS  64          1HD       LYS  64 -10.408  11.253   3.820
  526   1HE   LYS  64          2HE       LYS  64 -10.511  10.923   6.557
  527   2HE   LYS  64          1HE       LYS  64  -8.775  11.157   6.273
  528   1HZ   LYS  64          1HZ       LYS  64 -10.964  12.884   5.232
  529   2HZ   LYS  64          2HZ       LYS  64  -9.311  13.082   4.884
  530   3HZ   LYS  64          3HZ       LYS  64  -9.881  13.292   6.471
  531    H    THR  65           H        THR  65 -11.189   5.116   5.308
  532    HA   THR  65           HA       THR  65 -13.980   6.114   5.187
  533    HB   THR  65           HB       THR  65 -13.667   4.778   3.144
  534    HG1  THR  65           1HG      THR  65 -15.393   3.434   3.474
  535   1HG2  THR  65          1HG2      THR  65 -11.846   3.342   3.753
  536   2HG2  THR  65          2HG2      THR  65 -13.231   2.296   3.436
  537   3HG2  THR  65          3HG2      THR  65 -12.758   2.653   5.097
  538    H    GLU  66           H        GLU  66 -15.441   4.574   6.482
  539    HA   GLU  66           HA       GLU  66 -13.951   3.520   8.869
  540   1HB   GLU  66          2HB       GLU  66 -16.739   4.714   8.660
  541   2HB   GLU  66          1HB       GLU  66 -15.907   4.268  10.150
  542   1HG   GLU  66          2HG       GLU  66 -14.443   6.126   8.351
  543   2HG   GLU  66          1HG       GLU  66 -15.877   6.781   9.137
  544    H    ARG  67           H        ARG  67 -15.270   2.311   6.208
  545    HA   ARG  67           HA       ARG  67 -16.614   0.044   7.636
  546   1HB   ARG  67          2HB       ARG  67 -17.422   1.697   5.261
  547   2HB   ARG  67          1HB       ARG  67 -17.953   0.017   5.357
  548   1HG   ARG  67          2HG       ARG  67 -19.191   0.383   7.317
  549   2HG   ARG  67          1HG       ARG  67 -18.301   1.851   7.720
  550   1HD   ARG  67          2HD       ARG  67 -20.178   1.574   5.341
  551   2HD   ARG  67          1HD       ARG  67 -20.586   2.379   6.868
  552    HE   ARG  67           HE       ARG  67 -18.785   3.424   4.807
  553   1HH1  ARG  67          1HH2      ARG  67 -19.675   3.452   8.172
  554   2HH1  ARG  67          2HH2      ARG  67 -18.980   5.009   8.464
  555   1HH2  ARG  67          1HH1      ARG  67 -17.885   5.448   5.199
  556   2HH2  ARG  67          2HH1      ARG  67 -17.961   6.135   6.788
  557    HA   PRO  68           HA       PRO  68 -17.406  -1.925   7.043
  558   1HB   PRO  68          2HB       PRO  68 -16.293  -4.245   7.986
  559   2HB   PRO  68          1HB       PRO  68 -17.068  -4.111   6.394
  560   1HG   PRO  68          2HG       PRO  68 -14.174  -4.043   7.100
  561   2HG   PRO  68          1HG       PRO  68 -14.985  -4.840   5.742
  562   1HD   PRO  68          2HD       PRO  68 -13.663  -2.493   5.477
  563   2HD   PRO  68          1HD       PRO  68 -15.081  -2.912   4.493
  564    H    ARG  69           H        ARG  69 -14.015  -1.688   8.064
  565    HA   ARG  69           HA       ARG  69 -14.938  -1.260  10.889
  566   1HB   ARG  69          2HB       ARG  69 -12.539  -2.482   9.584
  567   2HB   ARG  69          1HB       ARG  69 -12.306  -1.689  11.140
  568   1HG   ARG  69          2HG       ARG  69 -13.835  -3.133  12.235
  569   2HG   ARG  69          1HG       ARG  69 -14.521  -3.696  10.712
  570   1HD   ARG  69          2HD       ARG  69 -13.097  -5.480  11.393
  571   2HD   ARG  69          1HD       ARG  69 -12.118  -4.590  10.213
  572    HE   ARG  69           HE       ARG  69 -10.770  -3.758  11.989
  573   1HH1  ARG  69          1HH2      ARG  69 -13.599  -5.400  13.185
  574   2HH1  ARG  69          2HH2      ARG  69 -13.051  -5.396  14.823
  575   1HH2  ARG  69          1HH1      ARG  69 -10.071  -3.758  14.130
  576   2HH2  ARG  69          2HH1      ARG  69 -11.062  -4.471  15.359
  577    HA   PRO  70           HA       PRO  70 -13.595   2.920  10.717
  578   1HB   PRO  70          2HB       PRO  70 -12.457   3.264  13.188
  579   2HB   PRO  70          1HB       PRO  70 -14.210   3.145  12.933
  580   1HG   PRO  70          2HG       PRO  70 -12.284   1.048  13.828
  581   2HG   PRO  70          1HG       PRO  70 -13.915   1.408  14.422
  582   1HD   PRO  70          2HD       PRO  70 -13.410  -0.641  12.739
  583   2HD   PRO  70          1HD       PRO  70 -14.939   0.268  12.701
  584    H    ASN  71           H        ASN  71 -11.654   4.275  10.557
  585    HA   ASN  71           HA       ASN  71  -9.414   4.675   9.939
  586   1HB   ASN  71          2HB       ASN  71  -9.022   2.318  11.821
  587   2HB   ASN  71          1HB       ASN  71  -7.760   3.439  11.318
  588   1HD2  ASN  71          1HD2      ASN  71  -7.994   5.741  12.036
  589   2HD2  ASN  71          2HD2      ASN  71  -8.920   6.100  13.412
  590    H    THR  72           H        THR  72 -10.602   3.532   7.906
  591    HA   THR  72           HA       THR  72  -8.851   1.247   7.034
  592    HB   THR  72           HB       THR  72 -11.799   1.845   6.699
  593    HG1  THR  72           1HG      THR  72 -11.885   0.364   8.152
  594   1HG2  THR  72          1HG2      THR  72 -11.123   1.201   4.493
  595   2HG2  THR  72          2HG2      THR  72 -11.820  -0.234   5.242
  596   3HG2  THR  72          3HG2      THR  72 -10.070  -0.067   5.119
  597    H    PHE  73           H        PHE  73  -8.443   1.214   4.674
  598    HA   PHE  73           HA       PHE  73  -8.709   3.919   3.387
  599   1HB   PHE  73          2HB       PHE  73  -6.444   2.055   3.842
  600   2HB   PHE  73          1HB       PHE  73  -6.496   2.812   2.252
  601    HD1  PHE  73           1HD      PHE  73  -7.786   5.446   3.023
  602    HD2  PHE  73           2HD      PHE  73  -4.615   3.189   4.840
  603    HE1  PHE  73           1HE      PHE  73  -6.850   7.531   3.984
  604    HE2  PHE  73           2HE      PHE  73  -3.680   5.273   5.798
  605    HZ   PHE  73           HZ       PHE  73  -4.797   7.443   5.371
  606    H    VAL  74           H        VAL  74  -9.219   3.918   1.159
  607    HA   VAL  74           HA       VAL  74  -9.819   1.245  -0.082
  608    HB   VAL  74           HB       VAL  74 -11.363   3.858  -0.305
  609   1HG1  VAL  74          1HG1      VAL  74 -11.596   2.516  -2.314
  610   2HG1  VAL  74          2HG1      VAL  74 -13.080   2.367  -1.372
  611   3HG1  VAL  74          3HG1      VAL  74 -11.891   1.063  -1.358
  612   1HG2  VAL  74          1HG2      VAL  74 -11.532   2.766   1.938
  613   2HG2  VAL  74          2HG2      VAL  74 -12.087   1.290   1.147
  614   3HG2  VAL  74          3HG2      VAL  74 -13.064   2.756   1.065
  615    H    ILE  75           H        ILE  75  -8.826   0.982  -2.066
  616    HA   ILE  75           HA       ILE  75  -7.975   3.437  -3.566
  617    HB   ILE  75           HB       ILE  75  -6.133   2.451  -2.203
  618   1HG1  ILE  75          2HG1      ILE  75  -5.253   1.695  -4.913
  619   2HG1  ILE  75          1HG1      ILE  75  -6.050   3.266  -4.831
  620   1HG2  ILE  75          1HG2      ILE  75  -7.005   0.093  -2.322
  621   2HG2  ILE  75          2HG2      ILE  75  -5.285   0.237  -2.679
  622   3HG2  ILE  75          3HG2      ILE  75  -6.442   0.023  -3.992
  623   1HD1  ILE  75          1HD1      ILE  75  -3.784   2.408  -3.008
  624   2HD1  ILE  75          2HD1      ILE  75  -4.521   4.009  -3.091
  625   3HD1  ILE  75          3HD1      ILE  75  -3.577   3.401  -4.452
  626    H    ARG  76           H        ARG  76  -8.242   3.266  -5.826
  627    HA   ARG  76           HA       ARG  76  -9.406   0.678  -6.801
  628   1HB   ARG  76          2HB       ARG  76 -10.035   3.544  -7.123
  629   2HB   ARG  76          1HB       ARG  76 -10.094   2.623  -8.627
  630   1HG   ARG  76          2HG       ARG  76 -11.427   0.887  -7.130
  631   2HG   ARG  76          1HG       ARG  76 -11.756   2.318  -6.152
  632   1HD   ARG  76          2HD       ARG  76 -13.556   2.188  -7.747
  633   2HD   ARG  76          1HD       ARG  76 -12.476   3.457  -8.351
  634    HE   ARG  76           HE       ARG  76 -11.704   1.970 -10.057
  635   1HH1  ARG  76          1HH2      ARG  76 -13.859   0.401  -7.817
  636   2HH1  ARG  76          2HH2      ARG  76 -14.074  -0.990  -8.820
  637   1HH2  ARG  76          1HH1      ARG  76 -11.984   0.153 -11.344
  638   2HH2  ARG  76          2HH1      ARG  76 -13.018  -1.132 -10.814
  639    H    CYS  77           H        CYS  77  -8.205   3.349  -8.807
  640    HA   CYS  77           HA       CYS  77  -6.600   3.370 -10.534
  641   1HB   CYS  77          2HB       CYS  77  -5.386   3.016  -8.205
  642   2HB   CYS  77          1HB       CYS  77  -5.006   1.433  -8.884
  643    H    LEU  78           H        LEU  78  -8.610   1.623 -11.208
  644    HA   LEU  78           HA       LEU  78  -7.127  -0.708 -12.386
  645   1HB   LEU  78          2HB       LEU  78  -9.246  -0.650 -10.481
  646   2HB   LEU  78          1HB       LEU  78  -9.929  -1.248 -11.993
  647    HG   LEU  78           HG       LEU  78  -7.820  -2.767 -12.089
  648   1HD1  LEU  78          1HD1      LEU  78  -6.838  -3.301  -9.925
  649   2HD1  LEU  78          2HD1      LEU  78  -7.918  -2.164  -9.118
  650   3HD1  LEU  78          3HD1      LEU  78  -6.671  -1.569 -10.213
  651   1HD2  LEU  78          1HD2      LEU  78 -10.184  -3.502 -11.643
  652   2HD2  LEU  78          2HD2      LEU  78  -9.881  -3.274  -9.920
  653   3HD2  LEU  78          3HD2      LEU  78  -8.975  -4.491 -10.821
  654    H    GLN  79           H        GLN  79  -8.515  -1.639 -14.289
  655    HA   GLN  79           HA       GLN  79  -9.589   0.662 -15.896
  656   1HB   GLN  79          2HB       GLN  79  -7.934  -1.781 -16.493
  657   2HB   GLN  79          1HB       GLN  79  -8.891  -1.046 -17.780
  658   1HG   GLN  79          2HG       GLN  79  -7.752   1.053 -17.548
  659   2HG   GLN  79          1HG       GLN  79  -6.972   0.536 -16.053
  660   1HE2  GLN  79          1HE2      GLN  79  -7.261  -0.758 -19.429
  661   2HE2  GLN  79          2HE2      GLN  79  -5.618  -1.165 -19.558
  662    H    TRP  80           H        TRP  80 -10.997  -1.381 -14.015
  663    HA   TRP  80           HA       TRP  80 -13.098  -2.191 -15.986
  664   1HB   TRP  80          2HB       TRP  80 -11.763  -3.876 -13.840
  665   2HB   TRP  80          1HB       TRP  80 -13.207  -4.374 -14.718
  666    HD1  TRP  80           HD       TRP  80  -9.495  -4.304 -14.960
  667    HE1  TRP  80           1HE      TRP  80  -8.734  -5.143 -17.275
  668    HE3  TRP  80           3HE      TRP  80 -13.979  -4.327 -17.407
  669    HZ2  TRP  80           2HZ      TRP  80  -9.877  -5.746 -19.827
  670    HZ3  TRP  80           3HZ      TRP  80 -14.113  -5.038 -19.777
  671    HH2  TRP  80           HH       TRP  80 -12.069  -5.747 -20.989
  672    H    THR  81           H        THR  81 -14.990  -1.274 -15.294
  673    HA   THR  81           HA       THR  81 -15.306  -0.546 -12.423
  674    HB   THR  81           HB       THR  81 -17.222   0.067 -14.675
  675    HG1  THR  81           1HG      THR  81 -14.942   1.629 -14.079
  676   1HG2  THR  81          1HG2      THR  81 -17.117   2.298 -13.259
  677   2HG2  THR  81          2HG2      THR  81 -16.488   1.223 -12.011
  678   3HG2  THR  81          3HG2      THR  81 -18.084   0.932 -12.705
  679    H    THR  82           H        THR  82 -15.709  -2.746 -11.643
  680    HA   THR  82           HA       THR  82 -18.453  -3.758 -12.332
  681    HB   THR  82           HB       THR  82 -15.941  -5.358 -11.717
  682    HG1  THR  82           1HG      THR  82 -15.666  -4.710 -13.741
  683   1HG2  THR  82          1HG2      THR  82 -17.397  -7.257 -12.556
  684   2HG2  THR  82          2HG2      THR  82 -18.767  -6.150 -12.455
  685   3HG2  THR  82          3HG2      THR  82 -17.876  -6.586 -10.997
  686    H    VAL  83           H        VAL  83 -15.829  -4.074  -9.892
  687    HA   VAL  83           HA       VAL  83 -17.901  -3.825  -7.746
  688    HB   VAL  83           HB       VAL  83 -17.232  -6.207  -8.285
  689   1HG1  VAL  83          1HG1      VAL  83 -14.760  -5.377  -8.676
  690   2HG1  VAL  83          2HG1      VAL  83 -15.053  -6.978  -7.996
  691   3HG1  VAL  83          3HG1      VAL  83 -14.610  -5.638  -6.939
  692   1HG2  VAL  83          1HG2      VAL  83 -17.110  -6.865  -5.998
  693   2HG2  VAL  83          2HG2      VAL  83 -17.993  -5.339  -5.994
  694   3HG2  VAL  83          3HG2      VAL  83 -16.291  -5.374  -5.535
  695    H    ILE  84           H        ILE  84 -16.913  -3.187  -5.629
  696    HA   ILE  84           HA       ILE  84 -14.341  -1.674  -5.988
  697    HB   ILE  84           HB       ILE  84 -15.375  -0.012  -4.414
  698   1HG1  ILE  84          2HG1      ILE  84 -18.039  -1.309  -4.921
  699   2HG1  ILE  84          1HG1      ILE  84 -17.039  -1.903  -3.595
  700   1HG2  ILE  84          1HG2      ILE  84 -17.296  -0.394  -6.690
  701   2HG2  ILE  84          2HG2      ILE  84 -15.600  -0.067  -7.037
  702   3HG2  ILE  84          3HG2      ILE  84 -16.546   1.090  -6.102
  703   1HD1  ILE  84          1HD1      ILE  84 -17.093   0.157  -2.463
  704   2HD1  ILE  84          2HD1      ILE  84 -18.731   0.012  -3.099
  705   3HD1  ILE  84          3HD1      ILE  84 -17.559   1.047  -3.913
  706    H    GLU  85           H        GLU  85 -14.121  -4.257  -5.073
  707    HA   GLU  85           HA       GLU  85 -14.147  -4.208  -2.100
  708   1HB   GLU  85          2HB       GLU  85 -14.040  -6.205  -4.300
  709   2HB   GLU  85          1HB       GLU  85 -13.173  -6.642  -2.826
  710   1HG   GLU  85          2HG       GLU  85 -15.661  -5.521  -2.022
  711   2HG   GLU  85          1HG       GLU  85 -16.006  -6.678  -3.308
  712    H    ARG  86           H        ARG  86 -12.249  -2.443  -3.438
  713    HA   ARG  86           HA       ARG  86  -9.622  -3.794  -2.970
  714   1HB   ARG  86          2HB       ARG  86 -10.429  -1.214  -4.358
  715   2HB   ARG  86          1HB       ARG  86  -8.774  -1.809  -4.239
  716   1HG   ARG  86          2HG       ARG  86 -10.501  -3.908  -5.226
  717   2HG   ARG  86          1HG       ARG  86 -10.685  -2.460  -6.216
  718   1HD   ARG  86          2HD       ARG  86  -8.859  -3.654  -7.197
  719   2HD   ARG  86          1HD       ARG  86  -8.093  -2.371  -6.239
  720    HE   ARG  86           HE       ARG  86  -8.267  -4.332  -4.382
  721   1HH1  ARG  86          1HH2      ARG  86  -7.231  -4.416  -7.703
  722   2HH1  ARG  86          2HH2      ARG  86  -6.171  -5.759  -7.457
  723   1HH2  ARG  86          1HH1      ARG  86  -6.890  -6.076  -4.076
  724   2HH2  ARG  86          2HH1      ARG  86  -5.977  -6.698  -5.409
  725    H    THR  87           H        THR  87 -10.909  -3.304  -0.616
  726    HA   THR  87           HA       THR  87  -9.881  -0.687   0.409
  727    HB   THR  87           HB       THR  87 -11.942  -2.674   1.432
  728    HG1  THR  87           1HG      THR  87 -13.094  -1.587   0.061
  729   1HG2  THR  87          1HG2      THR  87 -10.818  -1.520   3.294
  730   2HG2  THR  87          2HG2      THR  87 -12.476  -0.947   3.113
  731   3HG2  THR  87          3HG2      THR  87 -11.136   0.037   2.525
  732    H    PHE  88           H        PHE  88  -8.418  -0.671   2.153
  733    HA   PHE  88           HA       PHE  88  -7.539  -3.328   3.214
  734   1HB   PHE  88          2HB       PHE  88  -5.437  -2.987   2.422
  735   2HB   PHE  88          1HB       PHE  88  -6.173  -1.779   1.380
  736    HD1  PHE  88           1HD      PHE  88  -5.440   0.447   1.490
  737    HD2  PHE  88           2HD      PHE  88  -4.693  -2.187   4.800
  738    HE1  PHE  88           1HE      PHE  88  -4.053   2.195   2.570
  739    HE2  PHE  88           2HE      PHE  88  -3.314  -0.437   5.880
  740    HZ   PHE  88           HZ       PHE  88  -2.989   1.752   4.768
  741    H    HIS  89           H        HIS  89  -7.069  -3.346   5.413
  742    HA   HIS  89           HA       HIS  89  -7.790  -0.875   6.934
  743   1HB   HIS  89          2HB       HIS  89  -7.683  -3.833   7.585
  744   2HB   HIS  89          1HB       HIS  89  -8.019  -2.598   8.794
  745    HD1  HIS  89           1HD      HIS  89 -10.429  -3.712   9.030
  746    HD2  HIS  89           2HD      HIS  89  -9.666  -1.940   5.337
  747    HE1  HIS  89           1HE      HIS  89 -12.667  -3.462   7.881
  748    H    VAL  90           H        VAL  90  -6.454  -0.254   8.759
  749    HA   VAL  90           HA       VAL  90  -3.584  -1.030   8.429
  750    HB   VAL  90           HB       VAL  90  -3.204   1.106   9.686
  751   1HG1  VAL  90          1HG1      VAL  90  -4.884   1.093   7.175
  752   2HG1  VAL  90          2HG1      VAL  90  -3.142   1.319   7.325
  753   3HG1  VAL  90          3HG1      VAL  90  -4.245   2.590   7.850
  754   1HG2  VAL  90          1HG2      VAL  90  -4.905   2.312  10.616
  755   2HG2  VAL  90          2HG2      VAL  90  -5.766   0.775  10.583
  756   3HG2  VAL  90          3HG2      VAL  90  -6.016   1.953   9.295
  757    H    ASP  91           H        ASP  91  -2.299  -1.305  10.429
  758    HA   ASP  91           HA       ASP  91  -3.514  -3.100  12.322
  759   1HB   ASP  91          2HB       ASP  91  -1.119  -3.026  11.593
  760   2HB   ASP  91          1HB       ASP  91  -0.927  -1.520  12.488
  761    H    SER  92           H        SER  92  -2.809   0.392  12.434
  762    HA   SER  92           HA       SER  92  -4.464   0.587  14.913
  763   1HB   SER  92          2HB       SER  92  -1.670   0.613  14.859
  764   2HB   SER  92          1HB       SER  92  -2.106   2.318  14.936
  765    HG   SER  92           HG       SER  92  -2.460   0.281  16.781
  766    HA   PRO  93           HA       PRO  93  -6.066   4.231  13.022
  767   1HB   PRO  93          2HB       PRO  93  -6.318   5.951  15.151
  768   2HB   PRO  93          1HB       PRO  93  -7.406   4.575  14.879
  769   1HG   PRO  93          2HG       PRO  93  -5.061   4.797  16.709
  770   2HG   PRO  93          1HG       PRO  93  -6.644   4.053  16.991
  771   1HD   PRO  93          2HD       PRO  93  -4.452   2.591  16.415
  772   2HD   PRO  93          1HD       PRO  93  -6.080   2.109  15.886
  773    H    ASP  94           H        ASP  94  -3.411   4.862  15.332
  774    HA   ASP  94           HA       ASP  94  -2.520   7.356  14.231
  775   1HB   ASP  94          2HB       ASP  94  -1.513   5.182  16.006
  776   2HB   ASP  94          1HB       ASP  94  -0.280   6.212  15.281
  777    H    GLU  95           H        GLU  95  -1.878   3.968  13.395
  778    HA   GLU  95           HA       GLU  95   0.290   4.383  11.551
  779   1HB   GLU  95          2HB       GLU  95  -0.970   2.262  12.692
  780   2HB   GLU  95          1HB       GLU  95  -1.704   2.215  11.091
  781   1HG   GLU  95          2HG       GLU  95   0.684   2.388  10.163
  782   2HG   GLU  95          1HG       GLU  95   1.228   2.027  11.802
  783    H    ARG  96           H        ARG  96  -3.259   4.152  11.075
  784    HA   ARG  96           HA       ARG  96  -3.353   4.424   8.250
  785   1HB   ARG  96          2HB       ARG  96  -5.231   3.864   9.796
  786   2HB   ARG  96          1HB       ARG  96  -5.241   5.534  10.353
  787   1HG   ARG  96          2HG       ARG  96  -5.418   5.066   7.410
  788   2HG   ARG  96          1HG       ARG  96  -6.846   4.699   8.378
  789   1HD   ARG  96          2HD       ARG  96  -5.722   7.223   9.233
  790   2HD   ARG  96          1HD       ARG  96  -6.021   7.253   7.485
  791    HE   ARG  96           HE       ARG  96  -8.314   6.121   8.307
  792   1HH1  ARG  96          1HH2      ARG  96  -6.528   8.775   9.689
  793   2HH1  ARG  96          2HH2      ARG  96  -7.939   9.543  10.327
  794   1HH2  ARG  96          1HH1      ARG  96 -10.142   7.129   9.154
  795   2HH2  ARG  96          2HH1      ARG  96  -9.978   8.614  10.031
  796    H    GLU  97           H        GLU  97  -3.417   6.973  10.764
  797    HA   GLU  97           HA       GLU  97  -3.566   9.234   9.025
  798   1HB   GLU  97          2HB       GLU  97  -3.803   8.963  11.600
  799   2HB   GLU  97          1HB       GLU  97  -2.046   9.119  11.637
  800   1HG   GLU  97          2HG       GLU  97  -2.771  11.208   9.995
  801   2HG   GLU  97          1HG       GLU  97  -4.098  11.172  11.157
  802    H    GLU  98           H        GLU  98  -0.797   7.353  10.224
  803    HA   GLU  98           HA       GLU  98   1.282   9.046   9.156
  804   1HB   GLU  98          2HB       GLU  98   1.556   7.362  10.956
  805   2HB   GLU  98          1HB       GLU  98   1.200   6.076   9.805
  806   1HG   GLU  98          2HG       GLU  98   3.620   6.266  10.087
  807   2HG   GLU  98          1HG       GLU  98   3.179   6.773   8.459
  808    H    TRP  99           H        TRP  99  -0.433   6.170   7.887
  809    HA   TRP  99           HA       TRP  99   1.075   5.802   5.487
  810   1HB   TRP  99          2HB       TRP  99  -1.827   5.307   6.216
  811   2HB   TRP  99          1HB       TRP  99  -1.108   4.738   4.713
  812    HD1  TRP  99           HD       TRP  99  -1.997   3.384   7.823
  813    HE1  TRP  99           1HE      TRP  99  -0.488   1.447   8.574
  814    HE3  TRP  99           3HE      TRP  99   1.991   4.114   4.710
  815    HZ2  TRP  99           2HZ      TRP  99   2.065   0.341   7.943
  816    HZ3  TRP  99           3HZ      TRP  99   3.951   2.596   4.814
  817    HH2  TRP  99           HH       TRP  99   3.990   0.713   6.423
  818    H    MET 100           H        MET 100  -1.885   7.736   6.095
  819    HA   MET 100           HA       MET 100  -2.310   8.704   3.457
  820   1HB   MET 100          2HB       MET 100  -3.421   8.995   5.981
  821   2HB   MET 100          1HB       MET 100  -2.830  10.619   5.632
  822   1HG   MET 100          2HG       MET 100  -4.385   9.095   3.552
  823   2HG   MET 100          1HG       MET 100  -5.229   9.961   4.836
  824   1HE   MET 100          1HE       MET 100  -3.622  11.540   1.011
  825   2HE   MET 100          2HE       MET 100  -4.763  10.257   1.406
  826   3HE   MET 100          3HE       MET 100  -3.049  10.035   1.743
  827    H    ARG 101           H        ARG 101  -0.312  10.068   6.097
  828    HA   ARG 101           HA       ARG 101   0.546  12.429   4.711
  829   1HB   ARG 101          2HB       ARG 101   0.741  11.515   7.210
  830   2HB   ARG 101          1HB       ARG 101   2.320  10.976   6.640
  831   1HG   ARG 101          2HG       ARG 101   3.137  13.093   6.519
  832   2HG   ARG 101          1HG       ARG 101   1.628  13.740   5.873
  833   1HD   ARG 101          2HD       ARG 101   1.815  14.720   8.034
  834   2HD   ARG 101          1HD       ARG 101   0.688  13.374   8.271
  835    HE   ARG 101           HE       ARG 101   3.591  13.324   8.986
  836   1HH1  ARG 101          1HH2      ARG 101   0.400  11.903   9.104
  837   2HH1  ARG 101          2HH2      ARG 101   0.833  10.775  10.337
  838   1HH2  ARG 101          1HH1      ARG 101   4.122  11.832  10.576
  839   2HH2  ARG 101          2HH1      ARG 101   2.926  10.720  11.155
  840    H    ALA 102           H        ALA 102   1.933   9.145   4.910
  841    HA   ALA 102           HA       ALA 102   4.338   9.663   3.431
  842   1HB   ALA 102          1HB       ALA 102   3.537   7.653   4.895
  843   2HB   ALA 102          2HB       ALA 102   4.561   7.316   3.500
  844   3HB   ALA 102          3HB       ALA 102   2.820   7.057   3.397
  845    H    ILE 103           H        ILE 103   1.117   8.494   2.378
  846    HA   ILE 103           HA       ILE 103   1.713   8.079  -0.379
  847    HB   ILE 103           HB       ILE 103  -0.821   8.970   1.051
  848   1HG1  ILE 103          2HG1      ILE 103  -0.273   6.210  -0.007
  849   2HG1  ILE 103          1HG1      ILE 103   0.444   6.696   1.530
  850   1HG2  ILE 103          1HG2      ILE 103  -0.938   9.442  -1.379
  851   2HG2  ILE 103          2HG2      ILE 103  -2.017   8.120  -0.932
  852   3HG2  ILE 103          3HG2      ILE 103  -0.478   7.773  -1.721
  853   1HD1  ILE 103          1HD1      ILE 103  -1.785   7.286   2.395
  854   2HD1  ILE 103          2HD1      ILE 103  -1.746   5.602   1.875
  855   3HD1  ILE 103          3HD1      ILE 103  -2.513   6.821   0.856
  856    H    GLN 104           H        GLN 104   0.621  11.018   1.343
  857    HA   GLN 104           HA       GLN 104   0.425  12.706  -0.986
  858   1HB   GLN 104          2HB       GLN 104  -0.163  12.834   1.719
  859   2HB   GLN 104          1HB       GLN 104   1.164  13.985   1.561
  860   1HG   GLN 104          2HG       GLN 104  -1.241  13.988  -0.279
  861   2HG   GLN 104          1HG       GLN 104  -1.158  14.955   1.194
  862   1HE2  GLN 104          1HE2      GLN 104  -0.387  14.978  -2.131
  863   2HE2  GLN 104          2HE2      GLN 104   0.678  16.301  -2.118
  864    H    MET 105           H        MET 105   3.067  12.103   1.350
  865    HA   MET 105           HA       MET 105   4.938  14.034   0.413
  866   1HB   MET 105          2HB       MET 105   5.042  11.368   1.804
  867   2HB   MET 105          1HB       MET 105   6.552  12.128   1.302
  868   1HG   MET 105          2HG       MET 105   5.741  14.233   2.490
  869   2HG   MET 105          1HG       MET 105   4.459  13.238   3.184
  870   1HE   MET 105          1HE       MET 105   7.986  14.113   5.334
  871   2HE   MET 105          2HE       MET 105   6.390  14.799   5.045
  872   3HE   MET 105          3HE       MET 105   7.588  14.799   3.753
  873    H    VAL 106           H        VAL 106   4.380  10.661  -0.634
  874    HA   VAL 106           HA       VAL 106   6.486  10.588  -2.606
  875    HB   VAL 106           HB       VAL 106   3.880   9.052  -2.292
  876   1HG1  VAL 106          1HG1      VAL 106   4.428   8.410  -4.428
  877   2HG1  VAL 106          2HG1      VAL 106   5.529   7.337  -3.564
  878   3HG1  VAL 106          3HG1      VAL 106   6.124   8.853  -4.237
  879   1HG2  VAL 106          1HG2      VAL 106   4.929   7.960  -0.623
  880   2HG2  VAL 106          2HG2      VAL 106   6.284   9.078  -0.772
  881   3HG2  VAL 106          3HG2      VAL 106   6.277   7.574  -1.693
  882    H    ALA 107           H        ALA 107   3.058  11.544  -2.723
  883    HA   ALA 107           HA       ALA 107   2.807  11.789  -5.571
  884   1HB   ALA 107          1HB       ALA 107   0.800  13.027  -4.990
  885   2HB   ALA 107          2HB       ALA 107   1.432  13.375  -3.380
  886   3HB   ALA 107          3HB       ALA 107   0.993  11.723  -3.819
  887    H    ASN 108           H        ASN 108   3.869  14.090  -3.054
  888    HA   ASN 108           HA       ASN 108   4.041  16.430  -4.699
  889   1HB   ASN 108          2HB       ASN 108   5.575  15.507  -2.245
  890   2HB   ASN 108          1HB       ASN 108   5.628  17.153  -2.877
  891   1HD2  ASN 108          1HD2      ASN 108   4.481  16.127  -0.258
  892   2HD2  ASN 108          2HD2      ASN 108   2.870  16.659  -0.250
  893    H    SER 109           H        SER 109   6.239  13.698  -4.221
  894    HA   SER 109           HA       SER 109   8.409  14.979  -5.776
  895   1HB   SER 109          2HB       SER 109   8.075  12.215  -4.564
  896   2HB   SER 109          1HB       SER 109   9.575  12.868  -5.215
  897    HG   SER 109           HG       SER 109   8.267  13.401  -2.835
  898    H    LEU 110           H        LEU 110   5.790  12.679  -6.223
  899    HA   LEU 110           HA       LEU 110   6.762  11.460  -8.671
  900   1HB   LEU 110          2HB       LEU 110   4.445  11.413  -6.891
  901   2HB   LEU 110          1HB       LEU 110   3.966  11.299  -8.582
  902    HG   LEU 110           HG       LEU 110   5.518   9.417  -8.912
  903   1HD1  LEU 110          1HD1      LEU 110   7.088  10.266  -7.044
  904   2HD1  LEU 110          2HD1      LEU 110   6.854   8.523  -7.164
  905   3HD1  LEU 110          3HD1      LEU 110   5.998   9.445  -5.929
  906   1HD2  LEU 110          1HD2      LEU 110   4.287   7.770  -7.614
  907   2HD2  LEU 110          2HD2      LEU 110   3.170   9.044  -8.103
  908   3HD2  LEU 110          3HD2      LEU 110   3.790   9.000  -6.453
  909    H    LYS 111           H        LYS 111   4.399  14.070  -7.980
  910    HA   LYS 111           HA       LYS 111   4.712  14.975 -10.828
  911   1HB   LYS 111          2HB       LYS 111   2.242  14.750  -9.076
  912   2HB   LYS 111          1HB       LYS 111   2.259  15.566 -10.640
  913   1HG   LYS 111          2HG       LYS 111   3.257  13.345 -11.548
  914   2HG   LYS 111          1HG       LYS 111   2.664  12.637 -10.045
  915   1HD   LYS 111          2HD       LYS 111   0.781  14.352 -11.609
  916   2HD   LYS 111          1HD       LYS 111   1.134  12.740 -12.233
  917   1HE   LYS 111          2HE       LYS 111   0.207  11.666 -10.363
  918   2HE   LYS 111          1HE       LYS 111   0.403  13.093  -9.327
  919   1HZ   LYS 111          1HZ       LYS 111  -1.307  13.163 -11.744
  920   2HZ   LYS 111          2HZ       LYS 111  -1.317  14.215 -10.409
  921   3HZ   LYS 111          3HZ       LYS 111  -1.919  12.634 -10.253
  Start of MODEL    5
    1   1H    MET   1          1H        MET   1  20.606   5.918 -13.141
    2   2H    MET   1          2H        MET   1  21.087   7.543 -13.025
    3   3H    MET   1          3H        MET   1  19.462   7.114 -12.776
    4    HA   MET   1           HA       MET   1  21.774   6.435 -11.023
    5   1HB   MET   1          2HB       MET   1  19.542   8.423 -11.088
    6   2HB   MET   1          1HB       MET   1  19.989   7.765  -9.514
    7   1HG   MET   1          2HG       MET   1  21.583   9.380  -9.510
    8   2HG   MET   1          1HG       MET   1  22.450   8.313 -10.614
    9   1HE   MET   1          1HE       MET   1  23.117  10.428 -13.430
   10   2HE   MET   1          2HE       MET   1  23.263   8.870 -12.621
   11   3HE   MET   1          3HE       MET   1  23.793  10.336 -11.798
   12    H    ASN   2           H        ASN   2  18.178   6.376 -11.137
   13    HA   ASN   2           HA       ASN   2  16.635   4.788 -10.329
   14   1HB   ASN   2          2HB       ASN   2  19.016   2.997 -10.937
   15   2HB   ASN   2          1HB       ASN   2  17.362   2.434 -10.701
   16   1HD2  ASN   2          1HD2      ASN   2  19.524   3.219 -13.122
   17   2HD2  ASN   2          2HD2      ASN   2  18.424   3.641 -14.343
   18    H    GLU   3           H        GLU   3  17.970   6.187  -8.295
   19    HA   GLU   3           HA       GLU   3  18.664   4.105  -6.259
   20   1HB   GLU   3          2HB       GLU   3  19.384   6.955  -6.804
   21   2HB   GLU   3          1HB       GLU   3  19.353   6.440  -5.118
   22   1HG   GLU   3          2HG       GLU   3  21.143   5.029  -5.368
   23   2HG   GLU   3          1HG       GLU   3  20.722   4.620  -7.031
   24    H    VAL   4           H        VAL   4  16.519   3.521  -5.619
   25    HA   VAL   4           HA       VAL   4  14.868   5.728  -4.422
   26    HB   VAL   4           HB       VAL   4  14.167   3.038  -5.641
   27   1HG1  VAL   4          1HG1      VAL   4  11.818   3.608  -5.173
   28   2HG1  VAL   4          2HG1      VAL   4  12.330   5.080  -4.349
   29   3HG1  VAL   4          3HG1      VAL   4  12.736   3.504  -3.671
   30   1HG2  VAL   4          1HG2      VAL   4  12.971   4.406  -7.288
   31   2HG2  VAL   4          2HG2      VAL   4  14.658   4.913  -7.210
   32   3HG2  VAL   4          3HG2      VAL   4  13.412   5.876  -6.417
   33    H    SER   5           H        SER   5  14.494   5.604  -2.234
   34    HA   SER   5           HA       SER   5  15.340   3.106  -0.800
   35   1HB   SER   5          2HB       SER   5  15.378   6.055  -0.145
   36   2HB   SER   5          1HB       SER   5  15.513   4.842   1.125
   37    HG   SER   5           HG       SER   5  17.570   5.161   0.521
   38    H    VAL   6           H        VAL   6  14.064   2.846   1.353
   39    HA   VAL   6           HA       VAL   6  11.197   2.909   0.736
   40    HB   VAL   6           HB       VAL   6  12.887   1.969   3.069
   41   1HG1  VAL   6          1HG1      VAL   6  10.948   2.355   4.253
   42   2HG1  VAL   6          2HG1      VAL   6  10.512   0.802   3.542
   43   3HG1  VAL   6          3HG1      VAL   6   9.931   2.298   2.813
   44   1HG2  VAL   6          1HG2      VAL   6  13.079   0.501   1.205
   45   2HG2  VAL   6          2HG2      VAL   6  11.367   0.651   0.810
   46   3HG2  VAL   6          3HG2      VAL   6  11.866  -0.247   2.244
   47    H    ILE   7           H        ILE   7   9.684   4.301   1.601
   48    HA   ILE   7           HA       ILE   7  10.718   6.621   3.173
   49    HB   ILE   7           HB       ILE   7   8.251   6.107   1.484
   50   1HG1  ILE   7          2HG1      ILE   7  10.253   6.444   0.159
   51   2HG1  ILE   7          1HG1      ILE   7   9.291   7.917   0.077
   52   1HG2  ILE   7          1HG2      ILE   7   7.452   7.606   3.102
   53   2HG2  ILE   7          2HG2      ILE   7   8.003   8.673   1.811
   54   3HG2  ILE   7          3HG2      ILE   7   9.004   8.432   3.244
   55   1HD1  ILE   7          1HD1      ILE   7  11.884   7.420   1.491
   56   2HD1  ILE   7          2HD1      ILE   7  10.767   8.602   2.173
   57   3HD1  ILE   7          3HD1      ILE   7  11.381   8.812   0.533
   58    H    LYS   8           H        LYS   8   8.049   4.229   3.160
   59    HA   LYS   8           HA       LYS   8   7.734   4.708   6.104
   60   1HB   LYS   8          2HB       LYS   8   6.033   5.648   4.170
   61   2HB   LYS   8          1HB       LYS   8   5.297   4.091   4.545
   62   1HG   LYS   8          2HG       LYS   8   4.289   5.550   6.098
   63   2HG   LYS   8          1HG       LYS   8   5.581   4.797   7.031
   64   1HD   LYS   8          2HD       LYS   8   6.747   6.742   7.222
   65   2HD   LYS   8          1HD       LYS   8   6.404   7.220   5.560
   66   1HE   LYS   8          2HE       LYS   8   4.657   8.526   6.204
   67   2HE   LYS   8          1HE       LYS   8   4.000   7.250   7.245
   68   1HZ   LYS   8          1HZ       LYS   8   5.499   7.791   8.963
   69   2HZ   LYS   8          2HZ       LYS   8   4.880   9.281   8.430
   70   3HZ   LYS   8          3HZ       LYS   8   6.435   8.789   7.957
   71    H    GLU   9           H        GLU   9   7.466   2.826   7.293
   72    HA   GLU   9           HA       GLU   9   6.994   0.258   5.804
   73   1HB   GLU   9          2HB       GLU   9   9.041   0.903   7.954
   74   2HB   GLU   9          1HB       GLU   9   8.735  -0.717   7.332
   75   1HG   GLU   9          2HG       GLU   9   9.120   0.532   4.992
   76   2HG   GLU   9          1HG       GLU   9  10.081   1.597   6.014
   77    H    GLY  10           H        GLY  10   5.362  -0.949   6.757
   78   1HA   GLY  10          2HA       GLY  10   4.964  -1.016   9.637
   79   2HA   GLY  10          1HA       GLY  10   3.727  -0.053   8.835
   80    H    TRP  11           H        TRP  11   2.737  -2.178  10.104
   81    HA   TRP  11           HA       TRP  11   2.491  -4.404   8.113
   82   1HB   TRP  11          2HB       TRP  11   2.060  -4.090  11.085
   83   2HB   TRP  11          1HB       TRP  11   1.360  -5.457  10.219
   84    HD1  TRP  11           HD       TRP  11   4.754  -3.864  11.043
   85    HE1  TRP  11           1HE      TRP  11   6.584  -5.662  10.809
   86    HE3  TRP  11           3HE      TRP  11   1.974  -7.717   9.162
   87    HZ2  TRP  11           2HZ      TRP  11   6.837  -8.372   9.945
   88    HZ3  TRP  11           3HZ      TRP  11   3.039  -9.895   8.640
   89    HH2  TRP  11           HH       TRP  11   5.470 -10.224   9.031
   90    H    LEU  12           H        LEU  12   0.461  -4.865   7.203
   91    HA   LEU  12           HA       LEU  12  -1.867  -3.203   8.110
   92   1HB   LEU  12          2HB       LEU  12  -0.941  -3.709   5.262
   93   2HB   LEU  12          1HB       LEU  12  -2.353  -2.764   5.730
   94    HG   LEU  12           HG       LEU  12   0.503  -2.120   6.529
   95   1HD1  LEU  12          1HD1      LEU  12  -0.586  -1.799   4.038
   96   2HD1  LEU  12          2HD1      LEU  12   0.677  -0.768   4.711
   97   3HD1  LEU  12          3HD1      LEU  12  -1.011  -0.268   4.801
   98   1HD2  LEU  12          1HD2      LEU  12  -1.502  -0.004   6.685
   99   2HD2  LEU  12          2HD2      LEU  12  -0.366  -0.560   7.914
  100   3HD2  LEU  12          3HD2      LEU  12  -1.915  -1.375   7.712
  101    H    HIS  13           H        HIS  13  -3.971  -4.089   7.318
  102    HA   HIS  13           HA       HIS  13  -3.906  -7.078   7.226
  103   1HB   HIS  13          2HB       HIS  13  -5.647  -4.954   8.344
  104   2HB   HIS  13          1HB       HIS  13  -6.505  -6.333   7.658
  105    HD1  HIS  13           1HD      HIS  13  -6.659  -8.373   9.111
  106    HD2  HIS  13           2HD      HIS  13  -3.598  -5.818  10.339
  107    HE1  HIS  13           1HE      HIS  13  -5.715  -9.357  11.246
  108    H    LYS  14           H        LYS  14  -4.422  -8.055   5.313
  109    HA   LYS  14           HA       LYS  14  -5.828  -6.431   3.216
  110   1HB   LYS  14          2HB       LYS  14  -3.335  -7.738   3.252
  111   2HB   LYS  14          1HB       LYS  14  -4.378  -8.775   2.280
  112   1HG   LYS  14          2HG       LYS  14  -4.738  -5.934   1.665
  113   2HG   LYS  14          1HG       LYS  14  -3.085  -6.481   1.387
  114   1HD   LYS  14          2HD       LYS  14  -5.041  -8.422   0.427
  115   2HD   LYS  14          1HD       LYS  14  -5.250  -6.847  -0.338
  116   1HE   LYS  14          2HE       LYS  14  -2.885  -6.815  -1.003
  117   2HE   LYS  14          1HE       LYS  14  -2.615  -8.363  -0.177
  118   1HZ   LYS  14          1HZ       LYS  14  -4.516  -9.233  -1.575
  119   2HZ   LYS  14          2HZ       LYS  14  -3.071  -8.913  -2.411
  120   3HZ   LYS  14          3HZ       LYS  14  -4.371  -7.823  -2.508
  121    H    ARG  15           H        ARG  15  -7.773  -7.234   2.523
  122    HA   ARG  15           HA       ARG  15  -9.000  -9.528   3.772
  123   1HB   ARG  15          2HB       ARG  15 -10.133  -7.473   2.895
  124   2HB   ARG  15          1HB       ARG  15  -9.776  -8.019   1.259
  125   1HG   ARG  15          2HG       ARG  15 -11.546  -9.410   1.272
  126   2HG   ARG  15          1HG       ARG  15 -11.011 -10.150   2.781
  127   1HD   ARG  15          2HD       ARG  15 -13.142  -9.180   3.286
  128   2HD   ARG  15          1HD       ARG  15 -11.957  -8.042   3.942
  129    HE   ARG  15           HE       ARG  15 -12.445  -6.530   2.156
  130   1HH1  ARG  15          1HH2      ARG  15 -13.948  -9.632   1.701
  131   2HH1  ARG  15          2HH2      ARG  15 -15.029  -9.058   0.480
  132   1HH2  ARG  15          1HH1      ARG  15 -13.856  -5.794   0.560
  133   2HH2  ARG  15          2HH1      ARG  15 -14.974  -6.893  -0.174
  134    H    GLY  16           H        GLY  16  -9.408 -11.599   2.914
  135   1HA   GLY  16          2HA       GLY  16  -7.582 -12.458   0.755
  136   2HA   GLY  16          1HA       GLY  16  -8.504 -13.522   1.816
  137    H    GLU  17           H        GLU  17 -11.047 -13.077   1.501
  138    HA   GLU  17           HA       GLU  17 -11.575 -12.956  -1.453
  139   1HB   GLU  17          2HB       GLU  17 -11.608 -15.178   0.216
  140   2HB   GLU  17          1HB       GLU  17 -13.309 -14.720   0.124
  141   1HG   GLU  17          2HG       GLU  17 -13.107 -14.650  -2.370
  142   2HG   GLU  17          1HG       GLU  17 -11.456 -15.251  -2.216
  143    H    TYR  18           H        TYR  18 -14.354 -13.315  -1.285
  144    HA   TYR  18           HA       TYR  18 -15.324 -10.690  -0.782
  145   1HB   TYR  18          2HB       TYR  18 -17.479 -11.668  -1.272
  146   2HB   TYR  18          1HB       TYR  18 -16.285 -12.494  -2.269
  147    HD1  TYR  18           1HD      TYR  18 -15.692 -14.823  -1.863
  148    HD2  TYR  18           2HD      TYR  18 -18.495 -12.787   0.679
  149    HE1  TYR  18           1HE      TYR  18 -16.384 -16.992  -0.886
  150    HE2  TYR  18           2HE      TYR  18 -19.183 -14.959   1.657
  151    HH   TYR  18           HH       TYR  18 -17.430 -17.750   1.354
  152    H    ILE  19           H        ILE  19 -15.017 -13.449   1.398
  153    HA   ILE  19           HA       ILE  19 -16.884 -12.646   3.415
  154    HB   ILE  19           HB       ILE  19 -15.729 -14.865   3.160
  155   1HG1  ILE  19          2HG1      ILE  19 -15.184 -15.093   5.667
  156   2HG1  ILE  19          1HG1      ILE  19 -15.587 -13.380   5.791
  157   1HG2  ILE  19          1HG2      ILE  19 -13.440 -15.087   4.083
  158   2HG2  ILE  19          2HG2      ILE  19 -13.362 -13.338   4.290
  159   3HG2  ILE  19          3HG2      ILE  19 -13.470 -14.030   2.672
  160   1HD1  ILE  19          1HD1      ILE  19 -17.421 -15.530   4.683
  161   2HD1  ILE  19          2HD1      ILE  19 -17.820 -13.821   4.862
  162   3HD1  ILE  19          3HD1      ILE  19 -17.545 -14.817   6.291
  163    H    LYS  20           H        LYS  20 -16.526 -11.423   5.365
  164    HA   LYS  20           HA       LYS  20 -14.700  -9.169   5.078
  165   1HB   LYS  20          2HB       LYS  20 -15.743  -8.484   7.222
  166   2HB   LYS  20          1HB       LYS  20 -16.956  -8.993   6.052
  167   1HG   LYS  20          2HG       LYS  20 -16.134 -11.314   7.502
  168   2HG   LYS  20          1HG       LYS  20 -16.471 -10.041   8.675
  169   1HD   LYS  20          2HD       LYS  20 -18.587  -9.699   7.020
  170   2HD   LYS  20          1HD       LYS  20 -18.320 -11.429   6.806
  171   1HE   LYS  20          2HE       LYS  20 -18.285 -10.371   9.609
  172   2HE   LYS  20          1HE       LYS  20 -19.856 -10.517   8.797
  173   1HZ   LYS  20          1HZ       LYS  20 -18.994 -12.579   9.974
  174   2HZ   LYS  20          2HZ       LYS  20 -17.847 -12.695   8.729
  175   3HZ   LYS  20          3HZ       LYS  20 -19.507 -12.782   8.371
  176    H    THR  21           H        THR  21 -12.935 -11.180   5.027
  177    HA   THR  21           HA       THR  21 -11.794 -11.349   7.800
  178    HB   THR  21           HB       THR  21 -11.240 -13.196   5.472
  179    HG1  THR  21           1HG      THR  21 -13.138 -13.608   7.537
  180   1HG2  THR  21          1HG2      THR  21 -10.613 -14.756   7.288
  181   2HG2  THR  21          2HG2      THR  21 -10.988 -13.506   8.475
  182   3HG2  THR  21          3HG2      THR  21  -9.657 -13.275   7.341
  183    H    TRP  22           H        TRP  22  -9.844 -10.359   8.045
  184    HA   TRP  22           HA       TRP  22  -8.305  -9.586   5.588
  185   1HB   TRP  22          2HB       TRP  22  -8.652  -8.168   8.256
  186   2HB   TRP  22          1HB       TRP  22  -7.653  -7.584   6.927
  187    HD1  TRP  22           HD       TRP  22 -11.324  -8.345   7.770
  188    HE1  TRP  22           1HE      TRP  22 -12.827  -6.928   6.239
  189    HE3  TRP  22           3HE      TRP  22  -7.779  -6.233   4.770
  190    HZ2  TRP  22           2HZ      TRP  22 -12.566  -5.134   4.028
  191    HZ3  TRP  22           3HZ      TRP  22  -8.434  -4.679   2.959
  192    HH2  TRP  22           HH       TRP  22 -10.820  -4.123   2.584
  193    H    ARG  23           H        ARG  23  -6.217 -10.325   5.529
  194    HA   ARG  23           HA       ARG  23  -5.137 -11.714   7.939
  195   1HB   ARG  23          2HB       ARG  23  -5.433 -12.736   5.581
  196   2HB   ARG  23          1HB       ARG  23  -4.054 -11.739   5.118
  197   1HG   ARG  23          2HG       ARG  23  -2.581 -12.877   6.542
  198   2HG   ARG  23          1HG       ARG  23  -3.885 -13.489   7.558
  199   1HD   ARG  23          2HD       ARG  23  -3.409 -15.415   6.347
  200   2HD   ARG  23          1HD       ARG  23  -4.594 -14.680   5.250
  201    HE   ARG  23           HE       ARG  23  -2.255 -13.499   4.444
  202   1HH1  ARG  23          1HH2      ARG  23  -3.177 -16.804   5.033
  203   2HH1  ARG  23          2HH2      ARG  23  -2.073 -17.445   3.867
  204   1HH2  ARG  23          1HH1      ARG  23  -0.822 -14.348   2.921
  205   2HH2  ARG  23          2HH1      ARG  23  -0.747 -16.060   2.672
  206    HA   PRO  24           HA       PRO  24  -2.338  -8.337   8.562
  207   1HB   PRO  24          2HB       PRO  24  -0.562  -9.627  10.207
  208   2HB   PRO  24          1HB       PRO  24  -2.152  -9.049  10.748
  209   1HG   PRO  24          2HG       PRO  24  -1.307 -11.795   9.953
  210   2HG   PRO  24          1HG       PRO  24  -2.359 -11.279  11.282
  211   1HD   PRO  24          2HD       PRO  24  -3.320 -12.291   8.962
  212   2HD   PRO  24          1HD       PRO  24  -4.203 -11.083   9.924
  213    H    ARG  25           H        ARG  25  -0.828  -7.673   7.135
  214    HA   ARG  25           HA       ARG  25   1.345  -9.530   6.252
  215   1HB   ARG  25          2HB       ARG  25  -0.732  -8.045   4.655
  216   2HB   ARG  25          1HB       ARG  25   0.861  -8.325   3.947
  217   1HG   ARG  25          2HG       ARG  25   0.633 -10.743   4.364
  218   2HG   ARG  25          1HG       ARG  25  -0.953 -10.475   5.084
  219   1HD   ARG  25          2HD       ARG  25  -0.710  -9.267   2.415
  220   2HD   ARG  25          1HD       ARG  25  -0.506 -11.027   2.412
  221    HE   ARG  25           HE       ARG  25  -2.785  -9.850   3.932
  222   1HH1  ARG  25          1HH2      ARG  25  -1.583 -11.811   1.302
  223   2HH1  ARG  25          2HH2      ARG  25  -3.124 -12.520   0.983
  224   1HH2  ARG  25          1HH1      ARG  25  -4.776 -10.783   3.483
  225   2HH2  ARG  25          2HH1      ARG  25  -4.923 -11.943   2.206
  226    H    TYR  26           H        TYR  26   3.333  -8.415   5.932
  227    HA   TYR  26           HA       TYR  26   3.541  -5.741   7.085
  228   1HB   TYR  26          2HB       TYR  26   5.313  -7.350   7.417
  229   2HB   TYR  26          1HB       TYR  26   5.461  -7.627   5.682
  230    HD1  TYR  26           1HD      TYR  26   6.941  -6.337   4.393
  231    HD2  TYR  26           2HD      TYR  26   5.744  -4.947   8.275
  232    HE1  TYR  26           1HE      TYR  26   8.552  -4.461   4.220
  233    HE2  TYR  26           2HE      TYR  26   7.357  -3.075   8.104
  234    HH   TYR  26           HH       TYR  26   9.832  -2.972   5.982
  235    H    PHE  27           H        PHE  27   3.477  -3.812   5.960
  236    HA   PHE  27           HA       PHE  27   3.730  -3.922   2.967
  237   1HB   PHE  27          2HB       PHE  27   1.623  -2.909   4.795
  238   2HB   PHE  27          1HB       PHE  27   2.012  -1.859   3.435
  239    HD1  PHE  27           1HD      PHE  27   1.074  -5.365   4.316
  240    HD2  PHE  27           2HD      PHE  27   1.249  -2.360   1.251
  241    HE1  PHE  27           1HE      PHE  27  -0.243  -6.828   2.807
  242    HE2  PHE  27           2HE      PHE  27  -0.066  -3.824  -0.258
  243    HZ   PHE  27           HZ       PHE  27  -0.812  -6.059   0.519
  244    H    LEU  28           H        LEU  28   4.952  -2.242   2.047
  245    HA   LEU  28           HA       LEU  28   5.741   0.016   3.813
  246   1HB   LEU  28          2HB       LEU  28   8.061  -0.398   3.637
  247   2HB   LEU  28          1HB       LEU  28   7.356  -1.969   3.962
  248    HG   LEU  28           HG       LEU  28   9.022  -2.262   2.265
  249   1HD1  LEU  28          1HD1      LEU  28   6.673  -3.325   1.973
  250   2HD1  LEU  28          2HD1      LEU  28   7.810  -3.390   0.627
  251   3HD1  LEU  28          3HD1      LEU  28   6.510  -2.202   0.624
  252   1HD2  LEU  28          1HD2      LEU  28   9.528  -0.748   0.675
  253   2HD2  LEU  28          2HD2      LEU  28   8.439   0.342   1.530
  254   3HD2  LEU  28          3HD2      LEU  28   7.848  -0.600   0.162
  255    H    LEU  29           H        LEU  29   6.299   1.907   2.740
  256    HA   LEU  29           HA       LEU  29   5.655   1.960  -0.194
  257   1HB   LEU  29          2HB       LEU  29   4.202   3.163   1.499
  258   2HB   LEU  29          1HB       LEU  29   5.589   4.187   1.869
  259    HG   LEU  29           HG       LEU  29   4.910   3.927  -1.010
  260   1HD1  LEU  29          1HD1      LEU  29   3.204   5.883  -0.536
  261   2HD1  LEU  29          2HD1      LEU  29   3.061   5.107   1.042
  262   3HD1  LEU  29          3HD1      LEU  29   2.672   4.206  -0.423
  263   1HD2  LEU  29          1HD2      LEU  29   5.290   6.471   0.547
  264   2HD2  LEU  29          2HD2      LEU  29   5.780   6.092  -1.104
  265   3HD2  LEU  29          3HD2      LEU  29   6.678   5.422   0.257
  266    H    LYS  30           H        LYS  30   7.288   2.614  -1.585
  267    HA   LYS  30           HA       LYS  30   9.896   3.409  -0.403
  268   1HB   LYS  30          2HB       LYS  30   8.874   2.326  -3.016
  269   2HB   LYS  30          1HB       LYS  30  10.468   3.078  -2.952
  270   1HG   LYS  30          2HG       LYS  30  10.172   1.304  -0.704
  271   2HG   LYS  30          1HG       LYS  30   9.774   0.435  -2.187
  272   1HD   LYS  30          2HD       LYS  30  12.199   2.184  -2.201
  273   2HD   LYS  30          1HD       LYS  30  12.295   0.643  -1.349
  274   1HE   LYS  30          2HE       LYS  30  11.096   0.641  -4.099
  275   2HE   LYS  30          1HE       LYS  30  12.859   0.781  -3.952
  276   1HZ   LYS  30          1HZ       LYS  30  11.229  -1.260  -2.529
  277   2HZ   LYS  30          2HZ       LYS  30  12.924  -1.158  -2.584
  278   3HZ   LYS  30          3HZ       LYS  30  12.050  -1.555  -3.983
  279    H    SER  31           H        SER  31  11.155   5.030  -1.872
  280    HA   SER  31           HA       SER  31   9.723   7.572  -1.875
  281   1HB   SER  31          2HB       SER  31  12.303   6.741  -1.568
  282   2HB   SER  31          1HB       SER  31  12.344   7.298  -3.238
  283    HG   SER  31           HG       SER  31  12.756   8.905  -1.522
  284    H    ASP  32           H        ASP  32  10.006   5.064  -4.194
  285    HA   ASP  32           HA       ASP  32   9.847   6.829  -6.561
  286   1HB   ASP  32          2HB       ASP  32  11.160   4.738  -6.539
  287   2HB   ASP  32          1HB       ASP  32   9.704   3.819  -6.170
  288    H    GLY  33           H        GLY  33   7.629   5.933  -4.248
  289   1HA   GLY  33          2HA       GLY  33   5.284   6.211  -4.282
  290   2HA   GLY  33          1HA       GLY  33   5.370   6.474  -6.025
  291    H    SER  34           H        SER  34   6.639   3.711  -4.187
  292    HA   SER  34           HA       SER  34   4.678   1.958  -5.632
  293   1HB   SER  34          2HB       SER  34   6.735   0.322  -5.486
  294   2HB   SER  34          1HB       SER  34   6.701   1.562  -6.734
  295    HG   SER  34           HG       SER  34   8.491   2.237  -5.878
  296    H    PHE  35           H        PHE  35   3.490   0.712  -4.263
  297    HA   PHE  35           HA       PHE  35   4.395   0.440  -1.421
  298   1HB   PHE  35          2HB       PHE  35   2.059   1.359  -2.551
  299   2HB   PHE  35          1HB       PHE  35   1.652  -0.324  -2.229
  300    HD1  PHE  35           1HD      PHE  35   1.135   2.700  -0.885
  301    HD2  PHE  35           2HD      PHE  35   3.044  -0.990   0.210
  302    HE1  PHE  35           1HE      PHE  35   0.804   3.239   1.510
  303    HE2  PHE  35           2HE      PHE  35   2.715  -0.448   2.603
  304    HZ   PHE  35           HZ       PHE  35   1.596   1.665   3.257
  305    H    ILE  36           H        ILE  36   5.265  -1.568  -0.961
  306    HA   ILE  36           HA       ILE  36   4.381  -3.888  -2.646
  307    HB   ILE  36           HB       ILE  36   6.877  -3.510  -0.959
  308   1HG1  ILE  36          2HG1      ILE  36   6.870  -1.914  -2.812
  309   2HG1  ILE  36          1HG1      ILE  36   8.010  -3.210  -3.171
  310   1HG2  ILE  36          1HG2      ILE  36   6.327  -5.860  -1.289
  311   2HG2  ILE  36          2HG2      ILE  36   7.700  -5.441  -2.313
  312   3HG2  ILE  36          3HG2      ILE  36   6.089  -5.593  -3.016
  313   1HD1  ILE  36          1HD1      ILE  36   6.024  -4.337  -4.403
  314   2HD1  ILE  36          2HD1      ILE  36   6.803  -2.962  -5.184
  315   3HD1  ILE  36          3HD1      ILE  36   5.269  -2.744  -4.342
  316    H    GLY  37           H        GLY  37   3.337  -5.560  -1.675
  317   1HA   GLY  37          2HA       GLY  37   2.931  -5.435   1.270
  318   2HA   GLY  37          1HA       GLY  37   1.892  -6.292   0.132
  319    H    TYR  38           H        TYR  38   3.654  -7.044   2.582
  320    HA   TYR  38           HA       TYR  38   5.083  -9.357   1.308
  321   1HB   TYR  38          2HB       TYR  38   6.047  -7.329   2.893
  322   2HB   TYR  38          1HB       TYR  38   5.692  -8.566   4.095
  323    HD1  TYR  38           1HD      TYR  38   6.263 -11.074   2.732
  324    HD2  TYR  38           2HD      TYR  38   8.355  -7.330   2.530
  325    HE1  TYR  38           1HE      TYR  38   8.340 -12.271   2.127
  326    HE2  TYR  38           2HE      TYR  38  10.437  -8.531   1.923
  327    HH   TYR  38           HH       TYR  38  10.839 -11.019   0.720
  328    H    LYS  39           H        LYS  39   4.575 -11.411   2.063
  329    HA   LYS  39           HA       LYS  39   2.107 -11.831   3.527
  330   1HB   LYS  39          2HB       LYS  39   2.676 -14.185   3.190
  331   2HB   LYS  39          1HB       LYS  39   3.070 -13.292   1.726
  332   1HG   LYS  39          2HG       LYS  39   5.447 -13.067   2.825
  333   2HG   LYS  39          1HG       LYS  39   4.925 -14.446   3.794
  334   1HD   LYS  39          2HD       LYS  39   4.758 -15.857   1.940
  335   2HD   LYS  39          1HD       LYS  39   4.584 -14.515   0.808
  336   1HE   LYS  39          2HE       LYS  39   7.138 -14.494   2.297
  337   2HE   LYS  39          1HE       LYS  39   6.935 -15.880   1.207
  338   1HZ   LYS  39          1HZ       LYS  39   6.369 -14.412  -0.581
  339   2HZ   LYS  39          2HZ       LYS  39   7.836 -13.875   0.085
  340   3HZ   LYS  39          3HZ       LYS  39   6.390 -13.059   0.441
  341    H    GLU  40           H        GLU  40   5.520 -11.734   4.413
  342    HA   GLU  40           HA       GLU  40   4.820 -11.770   7.280
  343   1HB   GLU  40          2HB       GLU  40   5.234 -14.162   6.068
  344   2HB   GLU  40          1HB       GLU  40   6.899 -13.747   6.472
  345   1HG   GLU  40          2HG       GLU  40   6.263 -14.808   8.431
  346   2HG   GLU  40          1HG       GLU  40   5.818 -13.149   8.826
  347    H    ARG  41           H        ARG  41   7.492 -12.251   8.186
  348    HA   ARG  41           HA       ARG  41   8.999  -9.980   6.924
  349   1HB   ARG  41          2HB       ARG  41   7.774 -10.023   9.371
  350   2HB   ARG  41          1HB       ARG  41   9.386 -10.593   9.800
  351   1HG   ARG  41          2HG       ARG  41   9.392  -8.185   9.973
  352   2HG   ARG  41          1HG       ARG  41  10.333  -8.622   8.547
  353   1HD   ARG  41          2HD       ARG  41   7.587  -8.364   7.751
  354   2HD   ARG  41          1HD       ARG  41   8.048  -6.911   8.657
  355    HE   ARG  41           HE       ARG  41   9.187  -7.775   6.098
  356   1HH1  ARG  41          1HH2      ARG  41   9.666  -5.939   9.018
  357   2HH1  ARG  41          2HH2      ARG  41  10.812  -4.865   8.294
  358   1HH2  ARG  41          1HH1      ARG  41  10.684  -6.364   5.170
  359   2HH2  ARG  41          2HH1      ARG  41  11.393  -5.111   6.130
  360    HA   PRO  42           HA       PRO  42  11.540 -13.919   7.151
  361   1HB   PRO  42          2HB       PRO  42  12.084 -14.130   4.478
  362   2HB   PRO  42          1HB       PRO  42  10.653 -14.860   5.232
  363   1HG   PRO  42          2HG       PRO  42  10.887 -12.362   3.643
  364   2HG   PRO  42          1HG       PRO  42   9.589 -13.564   3.674
  365   1HD   PRO  42          2HD       PRO  42   9.471 -11.149   4.960
  366   2HD   PRO  42          1HD       PRO  42   8.557 -12.589   5.459
  367    H    GLU  43           H        GLU  43  13.815 -13.845   7.205
  368    HA   GLU  43           HA       GLU  43  15.126 -11.412   6.033
  369   1HB   GLU  43          2HB       GLU  43  15.571 -12.705   8.749
  370   2HB   GLU  43          1HB       GLU  43  16.447 -11.305   8.130
  371   1HG   GLU  43          2HG       GLU  43  14.081 -10.256   7.814
  372   2HG   GLU  43          1HG       GLU  43  13.550 -11.508   8.936
  373    H    ALA  44           H        ALA  44  15.970 -14.501   7.667
  374    HA   ALA  44           HA       ALA  44  17.479 -16.203   7.066
  375   1HB   ALA  44          1HB       ALA  44  17.627 -15.090   4.291
  376   2HB   ALA  44          2HB       ALA  44  16.061 -15.651   4.875
  377   3HB   ALA  44          3HB       ALA  44  17.429 -16.761   4.817
  378    HA   PRO  45           HA       PRO  45  21.502 -14.452   7.125
  379   1HB   PRO  45          2HB       PRO  45  23.038 -16.393   5.961
  380   2HB   PRO  45          1HB       PRO  45  22.315 -16.563   7.573
  381   1HG   PRO  45          2HG       PRO  45  21.476 -17.746   4.991
  382   2HG   PRO  45          1HG       PRO  45  21.349 -18.398   6.629
  383   1HD   PRO  45          2HD       PRO  45  19.269 -17.258   5.192
  384   2HD   PRO  45          1HD       PRO  45  19.301 -17.480   6.953
  385    H    ASP  46           H        ASP  46  20.892 -15.934   3.894
  386    HA   ASP  46           HA       ASP  46  21.729 -13.409   2.589
  387   1HB   ASP  46          2HB       ASP  46  23.525 -15.529   3.101
  388   2HB   ASP  46          1HB       ASP  46  23.140 -15.643   1.385
  389    H    GLN  47           H        GLN  47  19.176 -14.606   2.593
  390    HA   GLN  47           HA       GLN  47  18.833 -15.178  -0.292
  391   1HB   GLN  47          2HB       GLN  47  17.540 -17.267   0.274
  392   2HB   GLN  47          1HB       GLN  47  19.254 -17.379   0.672
  393   1HG   GLN  47          2HG       GLN  47  18.869 -17.211   2.971
  394   2HG   GLN  47          1HG       GLN  47  17.315 -16.408   2.753
  395   1HE2  GLN  47          1HE2      GLN  47  15.528 -17.834   1.773
  396   2HE2  GLN  47          2HE2      GLN  47  15.535 -19.484   2.167
  397    H    THR  48           H        THR  48  17.972 -12.878   0.601
  398    HA   THR  48           HA       THR  48  15.608 -12.592   2.087
  399    HB   THR  48           HB       THR  48  17.117 -10.806   1.177
  400    HG1  THR  48           1HG      THR  48  15.489  -9.367   1.073
  401   1HG2  THR  48          1HG2      THR  48  15.539 -10.933  -1.376
  402   2HG2  THR  48          2HG2      THR  48  16.987 -11.922  -1.192
  403   3HG2  THR  48          3HG2      THR  48  17.097 -10.166  -1.069
  404    H    LEU  49           H        LEU  49  13.548 -13.224   1.764
  405    HA   LEU  49           HA       LEU  49  12.759 -14.779  -0.557
  406   1HB   LEU  49          2HB       LEU  49  11.567 -13.798   2.011
  407   2HB   LEU  49          1HB       LEU  49  10.469 -14.390   0.766
  408    HG   LEU  49           HG       LEU  49  11.973 -16.464   0.635
  409   1HD1  LEU  49          1HD1      LEU  49  13.099 -15.043   3.035
  410   2HD1  LEU  49          2HD1      LEU  49  13.951 -15.887   1.742
  411   3HD1  LEU  49          3HD1      LEU  49  13.097 -16.805   2.982
  412   1HD2  LEU  49          1HD2      LEU  49  10.919 -17.461   2.672
  413   2HD2  LEU  49          2HD2      LEU  49   9.776 -16.534   1.701
  414   3HD2  LEU  49          3HD2      LEU  49  10.441 -15.842   3.180
  415    HA   PRO  50           HA       PRO  50  10.981 -11.590  -3.025
  416   1HB   PRO  50          2HB       PRO  50   8.927 -12.935  -4.231
  417   2HB   PRO  50          1HB       PRO  50  10.631 -13.207  -4.645
  418   1HG   PRO  50          2HG       PRO  50   8.809 -14.840  -2.966
  419   2HG   PRO  50          1HG       PRO  50  10.103 -15.352  -4.059
  420   1HD   PRO  50          2HD       PRO  50  10.321 -15.243  -1.315
  421   2HD   PRO  50          1HD       PRO  50  11.693 -15.192  -2.441
  422    HA   PRO  51           HA       PRO  51   7.570  -9.847  -0.812
  423   1HB   PRO  51          2HB       PRO  51   6.425  -8.285  -2.752
  424   2HB   PRO  51          1HB       PRO  51   7.956  -7.870  -1.955
  425   1HG   PRO  51          2HG       PRO  51   7.486  -9.118  -4.619
  426   2HG   PRO  51          1HG       PRO  51   8.673  -7.894  -4.140
  427   1HD   PRO  51          2HD       PRO  51   9.299 -10.516  -4.469
  428   2HD   PRO  51          1HD       PRO  51  10.148  -9.451  -3.327
  429    H    LEU  52           H        LEU  52   5.182  -9.920  -0.696
  430    HA   LEU  52           HA       LEU  52   4.078 -12.304  -2.038
  431   1HB   LEU  52          2HB       LEU  52   3.761 -11.824   0.374
  432   2HB   LEU  52          1HB       LEU  52   2.910 -10.335  -0.039
  433    HG   LEU  52           HG       LEU  52   1.287 -11.765  -1.372
  434   1HD1  LEU  52          1HD1      LEU  52   2.820 -13.943   0.072
  435   2HD1  LEU  52          2HD1      LEU  52   2.585 -13.772  -1.667
  436   3HD1  LEU  52          3HD1      LEU  52   1.221 -14.187  -0.629
  437   1HD2  LEU  52          1HD2      LEU  52   0.461 -12.862   0.977
  438   2HD2  LEU  52          2HD2      LEU  52   0.241 -11.162   0.565
  439   3HD2  LEU  52          3HD2      LEU  52   1.600 -11.656   1.573
  440    H    ASN  53           H        ASN  53   3.396  -8.794  -1.915
  441    HA   ASN  53           HA       ASN  53   2.012  -9.047  -4.551
  442   1HB   ASN  53          2HB       ASN  53   0.646  -8.948  -2.175
  443   2HB   ASN  53          1HB       ASN  53   0.745  -7.235  -2.583
  444   1HD2  ASN  53          1HD2      ASN  53   0.238 -10.244  -4.545
  445   2HD2  ASN  53          2HD2      ASN  53  -1.130  -9.647  -5.354
  446    H    ASN  54           H        ASN  54   2.233  -7.173  -5.840
  447    HA   ASN  54           HA       ASN  54   3.943  -4.992  -4.679
  448   1HB   ASN  54          2HB       ASN  54   3.903  -6.423  -7.340
  449   2HB   ASN  54          1HB       ASN  54   4.680  -4.850  -7.167
  450   1HD2  ASN  54          1HD2      ASN  54   6.895  -5.134  -6.875
  451   2HD2  ASN  54          2HD2      ASN  54   7.606  -6.354  -5.934
  452    H    PHE  55           H        PHE  55   2.994  -2.989  -4.731
  453    HA   PHE  55           HA       PHE  55   0.754  -2.522  -6.681
  454   1HB   PHE  55          2HB       PHE  55   0.013  -2.887  -4.342
  455   2HB   PHE  55          1HB       PHE  55   1.079  -1.591  -3.804
  456    HD1  PHE  55           1HD      PHE  55   0.457   0.707  -4.021
  457    HD2  PHE  55           2HD      PHE  55  -1.899  -2.359  -5.890
  458    HE1  PHE  55           1HE      PHE  55  -1.310   2.371  -4.526
  459    HE2  PHE  55           2HE      PHE  55  -3.667  -0.695  -6.396
  460    HZ   PHE  55           HZ       PHE  55  -3.372   1.670  -5.714
  461    H    SER  56           H        SER  56   0.607  -0.344  -7.494
  462    HA   SER  56           HA       SER  56   3.076   1.315  -7.074
  463   1HB   SER  56          2HB       SER  56   1.340   0.716  -9.476
  464   2HB   SER  56          1HB       SER  56   2.424   2.104  -9.453
  465    HG   SER  56           HG       SER  56   4.067   0.799  -9.660
  466    H    VAL  57           H        VAL  57   2.643   3.228  -6.069
  467    HA   VAL  57           HA       VAL  57  -0.116   4.382  -6.330
  468    HB   VAL  57           HB       VAL  57   0.380   3.437  -4.116
  469   1HG1  VAL  57          1HG1      VAL  57   2.206   4.743  -2.779
  470   2HG1  VAL  57          2HG1      VAL  57   2.850   5.136  -4.373
  471   3HG1  VAL  57          3HG1      VAL  57   2.706   3.452  -3.870
  472   1HG2  VAL  57          1HG2      VAL  57  -0.756   5.812  -4.543
  473   2HG2  VAL  57          2HG2      VAL  57   0.644   6.376  -3.631
  474   3HG2  VAL  57          3HG2      VAL  57  -0.470   5.214  -2.908
  475    H    ALA  58           H        ALA  58   1.380   5.236  -8.318
  476    HA   ALA  58           HA       ALA  58   2.958   7.635  -7.548
  477   1HB   ALA  58          1HB       ALA  58   3.971   6.340  -9.247
  478   2HB   ALA  58          2HB       ALA  58   3.179   7.628 -10.155
  479   3HB   ALA  58          3HB       ALA  58   2.432   6.034 -10.052
  480    H    GLU  59           H        GLU  59   0.159   6.813  -9.619
  481    HA   GLU  59           HA       GLU  59  -0.948   9.546  -9.111
  482   1HB   GLU  59          2HB       GLU  59  -1.652   9.465 -11.570
  483   2HB   GLU  59          1HB       GLU  59   0.077   9.645 -11.287
  484   1HG   GLU  59          2HG       GLU  59   0.233   7.095 -11.492
  485   2HG   GLU  59          1HG       GLU  59  -1.419   7.144 -12.109
  486    H    CYS  60           H        CYS  60  -2.024   7.883  -7.503
  487    HA   CYS  60           HA       CYS  60  -4.462   6.731  -8.827
  488   1HB   CYS  60          2HB       CYS  60  -2.783   5.731  -6.503
  489   2HB   CYS  60          1HB       CYS  60  -4.311   5.004  -6.999
  490    H    GLN  61           H        GLN  61  -6.354   6.607  -7.299
  491    HA   GLN  61           HA       GLN  61  -6.497   9.064  -5.629
  492   1HB   GLN  61          2HB       GLN  61  -8.142   8.264  -7.480
  493   2HB   GLN  61          1HB       GLN  61  -8.714   7.113  -6.273
  494   1HG   GLN  61          2HG       GLN  61  -8.447   9.937  -5.375
  495   2HG   GLN  61          1HG       GLN  61  -9.745   9.598  -6.520
  496   1HE2  GLN  61          1HE2      GLN  61 -11.113   7.546  -5.879
  497   2HE2  GLN  61          2HE2      GLN  61 -11.461   7.372  -4.228
  498    H    LEU  62           H        LEU  62  -6.477   8.937  -3.399
  499    HA   LEU  62           HA       LEU  62  -6.891   6.241  -2.129
  500   1HB   LEU  62          2HB       LEU  62  -4.889   8.456  -1.623
  501   2HB   LEU  62          1HB       LEU  62  -5.189   7.180  -0.444
  502    HG   LEU  62           HG       LEU  62  -4.869   5.779  -2.819
  503   1HD1  LEU  62          1HD1      LEU  62  -2.467   6.826  -3.368
  504   2HD1  LEU  62          2HD1      LEU  62  -3.273   8.305  -2.843
  505   3HD1  LEU  62          3HD1      LEU  62  -3.926   7.376  -4.193
  506   1HD2  LEU  62          1HD2      LEU  62  -2.696   5.118  -1.824
  507   2HD2  LEU  62          2HD2      LEU  62  -3.973   5.167  -0.609
  508   3HD2  LEU  62          3HD2      LEU  62  -2.802   6.481  -0.711
  509    H    MET  63           H        MET  63  -8.288   6.206  -0.392
  510    HA   MET  63           HA       MET  63  -9.036   8.747   0.961
  511   1HB   MET  63          2HB       MET  63 -11.359   8.536   0.383
  512   2HB   MET  63          1HB       MET  63 -10.461   8.337  -1.121
  513   1HG   MET  63          2HG       MET  63 -10.533   5.780  -0.484
  514   2HG   MET  63          1HG       MET  63 -11.902   6.268   0.513
  515   1HE   MET  63          1HE       MET  63 -13.953   8.255  -1.282
  516   2HE   MET  63          2HE       MET  63 -13.760   7.111   0.044
  517   3HE   MET  63          3HE       MET  63 -14.715   6.661  -1.367
  518    H    LYS  64           H        LYS  64  -9.974   8.381   3.051
  519    HA   LYS  64           HA       LYS  64  -9.510   5.646   4.126
  520   1HB   LYS  64          2HB       LYS  64  -9.570   6.784   6.293
  521   2HB   LYS  64          1HB       LYS  64  -8.523   7.682   5.195
  522   1HG   LYS  64          2HG       LYS  64 -11.043   8.786   4.746
  523   2HG   LYS  64          1HG       LYS  64 -11.008   8.519   6.488
  524   1HD   LYS  64          2HD       LYS  64  -9.770  10.390   6.679
  525   2HD   LYS  64          1HD       LYS  64  -8.466   9.545   5.844
  526   1HE   LYS  64          2HE       LYS  64  -9.421  10.274   3.656
  527   2HE   LYS  64          1HE       LYS  64 -10.660  11.194   4.533
  528   1HZ   LYS  64          1HZ       LYS  64  -8.867  12.678   4.133
  529   2HZ   LYS  64          2HZ       LYS  64  -7.713  11.547   4.662
  530   3HZ   LYS  64          3HZ       LYS  64  -8.781  12.260   5.777
  531    H    THR  65           H        THR  65 -11.177   4.584   5.409
  532    HA   THR  65           HA       THR  65 -13.928   5.684   5.297
  533    HB   THR  65           HB       THR  65 -13.427   4.555   3.106
  534    HG1  THR  65           1HG      THR  65 -15.544   4.586   3.807
  535   1HG2  THR  65          1HG2      THR  65 -13.014   2.195   4.950
  536   2HG2  THR  65          2HG2      THR  65 -11.914   2.822   3.724
  537   3HG2  THR  65          3HG2      THR  65 -13.397   1.998   3.239
  538    H    GLU  66           H        GLU  66 -15.462   3.790   6.180
  539    HA   GLU  66           HA       GLU  66 -14.080   2.473   8.498
  540   1HB   GLU  66          2HB       GLU  66 -15.985   3.107   9.856
  541   2HB   GLU  66          1HB       GLU  66 -15.435   4.548   9.005
  542   1HG   GLU  66          2HG       GLU  66 -17.517   2.876   7.663
  543   2HG   GLU  66          1HG       GLU  66 -18.020   3.838   9.051
  544    H    ARG  67           H        ARG  67 -14.961   1.453   5.743
  545    HA   ARG  67           HA       ARG  67 -16.645  -0.813   6.742
  546   1HB   ARG  67          2HB       ARG  67 -17.140   1.194   4.663
  547   2HB   ARG  67          1HB       ARG  67 -17.298  -0.456   4.059
  548   1HG   ARG  67          2HG       ARG  67 -19.312  -0.611   5.041
  549   2HG   ARG  67          1HG       ARG  67 -18.551  -0.376   6.615
  550   1HD   ARG  67          2HD       ARG  67 -19.050   1.889   6.675
  551   2HD   ARG  67          1HD       ARG  67 -19.026   2.046   4.907
  552    HE   ARG  67           HE       ARG  67 -21.137   0.259   5.607
  553   1HH1  ARG  67          1HH2      ARG  67 -20.242   3.608   5.901
  554   2HH1  ARG  67          2HH2      ARG  67 -21.879   4.168   5.910
  555   1HH2  ARG  67          1HH1      ARG  67 -23.268   0.999   5.620
  556   2HH2  ARG  67          2HH1      ARG  67 -23.588   2.696   5.751
  557    HA   PRO  68           HA       PRO  68 -17.261  -2.707   6.139
  558   1HB   PRO  68          2HB       PRO  68 -16.296  -5.085   7.087
  559   2HB   PRO  68          1HB       PRO  68 -16.901  -4.874   5.433
  560   1HG   PRO  68          2HG       PRO  68 -14.098  -4.936   6.429
  561   2HG   PRO  68          1HG       PRO  68 -14.786  -5.619   4.948
  562   1HD   PRO  68          2HD       PRO  68 -13.369  -3.295   5.008
  563   2HD   PRO  68          1HD       PRO  68 -14.630  -3.643   3.807
  564    H    ARG  69           H        ARG  69 -14.065  -2.154   7.419
  565    HA   ARG  69           HA       ARG  69 -15.212  -2.050  10.195
  566   1HB   ARG  69          2HB       ARG  69 -12.730  -3.226   9.037
  567   2HB   ARG  69          1HB       ARG  69 -12.578  -2.460  10.617
  568   1HG   ARG  69          2HG       ARG  69 -14.001  -3.971  11.645
  569   2HG   ARG  69          1HG       ARG  69 -14.872  -4.325  10.153
  570   1HD   ARG  69          2HD       ARG  69 -12.581  -5.347   9.363
  571   2HD   ARG  69          1HD       ARG  69 -12.234  -5.422  11.103
  572    HE   ARG  69           HE       ARG  69 -14.860  -6.398  10.773
  573   1HH1  ARG  69          1HH2      ARG  69 -11.628  -7.240   9.796
  574   2HH1  ARG  69          2HH2      ARG  69 -11.973  -8.931   9.706
  575   1HH2  ARG  69          1HH1      ARG  69 -15.294  -8.595  10.649
  576   2HH2  ARG  69          2HH1      ARG  69 -14.043  -9.699  10.184
  577    HA   PRO  70           HA       PRO  70 -13.884   2.130  10.415
  578   1HB   PRO  70          2HB       PRO  70 -12.889   2.314  12.966
  579   2HB   PRO  70          1HB       PRO  70 -14.624   2.204  12.605
  580   1HG   PRO  70          2HG       PRO  70 -12.731   0.061  13.461
  581   2HG   PRO  70          1HG       PRO  70 -14.394   0.372  13.989
  582   1HD   PRO  70          2HD       PRO  70 -13.789  -1.557  12.202
  583   2HD   PRO  70          1HD       PRO  70 -15.316  -0.648  12.136
  584    H    ASN  71           H        ASN  71 -11.971   3.487  10.375
  585    HA   ASN  71           HA       ASN  71  -9.706   3.970   9.967
  586   1HB   ASN  71          2HB       ASN  71  -9.195   1.411  11.518
  587   2HB   ASN  71          1HB       ASN  71  -8.113   2.791  11.353
  588   1HD2  ASN  71          1HD2      ASN  71  -9.965   1.412  13.638
  589   2HD2  ASN  71          2HD2      ASN  71 -10.522   2.784  14.469
  590    H    THR  72           H        THR  72 -10.872   2.890   7.794
  591    HA   THR  72           HA       THR  72  -8.977   0.757   6.840
  592    HB   THR  72           HB       THR  72 -11.893   1.359   6.300
  593    HG1  THR  72           1HG      THR  72 -10.390  -0.728   7.435
  594   1HG2  THR  72          1HG2      THR  72 -11.722  -0.651   4.724
  595   2HG2  THR  72          2HG2      THR  72  -9.979  -0.379   4.738
  596   3HG2  THR  72          3HG2      THR  72 -11.062   0.871   4.125
  597    H    PHE  73           H        PHE  73  -8.402   0.920   4.523
  598    HA   PHE  73           HA       PHE  73  -8.507   3.743   3.500
  599   1HB   PHE  73          2HB       PHE  73  -6.362   1.909   4.114
  600   2HB   PHE  73          1HB       PHE  73  -6.325   2.302   2.398
  601    HD1  PHE  73           1HD      PHE  73  -7.286   5.059   2.285
  602    HD2  PHE  73           2HD      PHE  73  -4.705   3.175   5.156
  603    HE1  PHE  73           1HE      PHE  73  -6.272   7.256   2.815
  604    HE2  PHE  73           2HE      PHE  73  -3.692   5.371   5.684
  605    HZ   PHE  73           HZ       PHE  73  -4.474   7.411   4.518
  606    H    VAL  74           H        VAL  74  -9.373   3.976   1.467
  607    HA   VAL  74           HA       VAL  74  -9.736   1.510  -0.210
  608    HB   VAL  74           HB       VAL  74 -11.406   4.043   0.021
  609   1HG1  VAL  74          1HG1      VAL  74 -11.788   1.544  -1.658
  610   2HG1  VAL  74          2HG1      VAL  74 -11.449   3.165  -2.264
  611   3HG1  VAL  74          3HG1      VAL  74 -12.987   2.824  -1.471
  612   1HG2  VAL  74          1HG2      VAL  74 -13.041   2.681   1.120
  613   2HG2  VAL  74          2HG2      VAL  74 -11.507   2.311   1.905
  614   3HG2  VAL  74          3HG2      VAL  74 -12.178   1.197   0.715
  615    H    ILE  75           H        ILE  75  -8.671   1.592  -2.160
  616    HA   ILE  75           HA       ILE  75  -7.706   4.275  -3.093
  617    HB   ILE  75           HB       ILE  75  -5.987   2.732  -2.166
  618   1HG1  ILE  75          2HG1      ILE  75  -5.426   2.758  -5.097
  619   2HG1  ILE  75          1HG1      ILE  75  -5.770   4.306  -4.326
  620   1HG2  ILE  75          1HG2      ILE  75  -5.423   0.673  -3.374
  621   2HG2  ILE  75          2HG2      ILE  75  -6.743   0.952  -4.507
  622   3HG2  ILE  75          3HG2      ILE  75  -7.093   0.602  -2.814
  623   1HD1  ILE  75          1HD1      ILE  75  -4.033   3.769  -2.601
  624   2HD1  ILE  75          2HD1      ILE  75  -3.375   3.920  -4.230
  625   3HD1  ILE  75          3HD1      ILE  75  -3.625   2.324  -3.523
  626    H    ARG  76           H        ARG  76  -8.183   4.841  -5.170
  627    HA   ARG  76           HA       ARG  76  -9.429   2.766  -6.946
  628   1HB   ARG  76          2HB       ARG  76 -10.816   4.684  -5.818
  629   2HB   ARG  76          1HB       ARG  76 -10.052   5.714  -7.030
  630   1HG   ARG  76          2HG       ARG  76 -11.010   3.290  -8.276
  631   2HG   ARG  76          1HG       ARG  76 -12.319   4.056  -7.377
  632   1HD   ARG  76          2HD       ARG  76 -10.547   5.718  -9.171
  633   2HD   ARG  76          1HD       ARG  76 -11.926   4.823  -9.841
  634    HE   ARG  76           HE       ARG  76 -12.878   6.141  -7.534
  635   1HH1  ARG  76          1HH2      ARG  76 -11.538   6.950 -10.641
  636   2HH1  ARG  76          2HH2      ARG  76 -12.366   8.466 -10.734
  637   1HH2  ARG  76          1HH1      ARG  76 -13.960   8.114  -7.673
  638   2HH2  ARG  76          2HH1      ARG  76 -13.737   9.122  -9.064
  639    H    CYS  77           H        CYS  77  -7.882   2.335  -8.477
  640    HA   CYS  77           HA       CYS  77  -6.708   4.641  -9.973
  641   1HB   CYS  77          2HB       CYS  77  -5.262   3.608  -8.057
  642   2HB   CYS  77          1HB       CYS  77  -5.066   2.243  -9.155
  643    H    LEU  78           H        LEU  78  -8.685   3.527 -11.238
  644    HA   LEU  78           HA       LEU  78  -7.905   1.055 -12.667
  645   1HB   LEU  78          2HB       LEU  78 -10.231   1.790 -11.722
  646   2HB   LEU  78          1HB       LEU  78 -10.334   2.767 -13.185
  647    HG   LEU  78           HG       LEU  78  -9.419   0.138 -13.896
  648   1HD1  LEU  78          1HD1      LEU  78 -10.448  -0.808 -11.974
  649   2HD1  LEU  78          2HD1      LEU  78 -11.632  -1.014 -13.264
  650   3HD1  LEU  78          3HD1      LEU  78 -11.832   0.279 -12.081
  651   1HD2  LEU  78          1HD2      LEU  78 -11.417   0.206 -15.325
  652   2HD2  LEU  78          2HD2      LEU  78 -10.605   1.772 -15.349
  653   3HD2  LEU  78          3HD2      LEU  78 -12.064   1.550 -14.384
  654    H    GLN  79           H        GLN  79  -5.987   2.274 -13.661
  655    HA   GLN  79           HA       GLN  79  -6.843   3.897 -16.041
  656   1HB   GLN  79          2HB       GLN  79  -5.339   4.805 -14.104
  657   2HB   GLN  79          1HB       GLN  79  -4.076   3.816 -14.839
  658   1HG   GLN  79          2HG       GLN  79  -4.722   4.976 -17.057
  659   2HG   GLN  79          1HG       GLN  79  -5.569   6.147 -16.045
  660   1HE2  GLN  79          1HE2      GLN  79  -3.936   6.644 -13.933
  661   2HE2  GLN  79          2HE2      GLN  79  -2.394   7.150 -14.431
  662    H    TRP  80           H        TRP  80  -4.344   1.567 -14.947
  663    HA   TRP  80           HA       TRP  80  -4.060   0.614 -17.771
  664   1HB   TRP  80          2HB       TRP  80  -2.318   0.575 -15.295
  665   2HB   TRP  80          1HB       TRP  80  -1.940  -0.416 -16.704
  666    HD1  TRP  80           HD       TRP  80  -2.375   3.264 -15.675
  667    HE1  TRP  80           1HE      TRP  80  -1.073   4.737 -17.341
  668    HE3  TRP  80           3HE      TRP  80  -0.898  -0.295 -19.027
  669    HZ2  TRP  80           2HZ      TRP  80   0.404   4.443 -19.776
  670    HZ3  TRP  80           3HZ      TRP  80   0.454   0.328 -21.009
  671    HH2  TRP  80           HH       TRP  80   1.106   2.690 -21.386
  672    H    THR  81           H        THR  81  -4.071  -0.681 -14.417
  673    HA   THR  81           HA       THR  81  -4.916  -3.339 -15.414
  674    HB   THR  81           HB       THR  81  -4.368  -2.293 -12.613
  675    HG1  THR  81           1HG      THR  81  -2.358  -2.451 -13.148
  676   1HG2  THR  81          1HG2      THR  81  -5.599  -4.326 -12.444
  677   2HG2  THR  81          2HG2      THR  81  -3.908  -4.781 -12.236
  678   3HG2  THR  81          3HG2      THR  81  -4.712  -5.059 -13.781
  679    H    THR  82           H        THR  82  -7.018  -4.052 -15.314
  680    HA   THR  82           HA       THR  82  -9.150  -2.216 -14.518
  681    HB   THR  82           HB       THR  82 -10.476  -4.416 -15.101
  682    HG1  THR  82           1HG      THR  82  -9.301  -5.956 -16.079
  683   1HG2  THR  82          1HG2      THR  82 -10.238  -3.920 -17.484
  684   2HG2  THR  82          2HG2      THR  82  -8.729  -3.062 -17.175
  685   3HG2  THR  82          3HG2      THR  82 -10.251  -2.418 -16.560
  686    H    VAL  83           H        VAL  83  -7.930  -5.362 -13.306
  687    HA   VAL  83           HA       VAL  83  -9.470  -4.892 -10.772
  688    HB   VAL  83           HB       VAL  83  -8.464  -7.447 -12.077
  689   1HG1  VAL  83          1HG1      VAL  83 -10.107  -6.938  -9.580
  690   2HG1  VAL  83          2HG1      VAL  83  -8.540  -7.740  -9.680
  691   3HG1  VAL  83          3HG1      VAL  83  -9.973  -8.517 -10.352
  692   1HG2  VAL  83          1HG2      VAL  83 -10.324  -6.424 -13.314
  693   2HG2  VAL  83          2HG2      VAL  83 -11.251  -6.268 -11.823
  694   3HG2  VAL  83          3HG2      VAL  83 -10.886  -7.867 -12.470
  695    H    ILE  84           H        ILE  84  -8.097  -4.133  -9.207
  696    HA   ILE  84           HA       ILE  84  -5.605  -5.589  -8.617
  697    HB   ILE  84           HB       ILE  84  -4.972  -4.022 -10.411
  698   1HG1  ILE  84          2HG1      ILE  84  -3.586  -2.455  -8.533
  699   2HG1  ILE  84          1HG1      ILE  84  -3.877  -3.993  -7.722
  700   1HG2  ILE  84          1HG2      ILE  84  -6.886  -2.374  -9.574
  701   2HG2  ILE  84          2HG2      ILE  84  -5.470  -1.766 -10.428
  702   3HG2  ILE  84          3HG2      ILE  84  -5.552  -1.659  -8.670
  703   1HD1  ILE  84          1HD1      ILE  84  -2.861  -5.219  -9.548
  704   2HD1  ILE  84          2HD1      ILE  84  -1.745  -3.945  -9.054
  705   3HD1  ILE  84          3HD1      ILE  84  -2.719  -3.748 -10.512
  706    H    GLU  85           H        GLU  85  -7.179  -5.875  -6.741
  707    HA   GLU  85           HA       GLU  85  -7.775  -5.433  -4.508
  708   1HB   GLU  85          2HB       GLU  85  -5.324  -3.771  -5.028
  709   2HB   GLU  85          1HB       GLU  85  -6.155  -3.616  -3.482
  710   1HG   GLU  85          2HG       GLU  85  -6.058  -6.186  -3.365
  711   2HG   GLU  85          1HG       GLU  85  -4.883  -6.081  -4.677
  712    H    ARG  86           H        ARG  86  -8.345  -3.416  -2.988
  713    HA   ARG  86           HA       ARG  86  -9.294  -1.024  -4.397
  714   1HB   ARG  86          2HB       ARG  86 -10.865  -3.297  -4.523
  715   2HB   ARG  86          1HB       ARG  86 -11.544  -2.453  -3.133
  716   1HG   ARG  86          2HG       ARG  86 -12.698  -1.211  -4.627
  717   2HG   ARG  86          1HG       ARG  86 -11.164  -0.419  -4.985
  718   1HD   ARG  86          2HD       ARG  86 -11.184  -1.290  -7.077
  719   2HD   ARG  86          1HD       ARG  86 -11.280  -2.929  -6.409
  720    HE   ARG  86           HE       ARG  86 -13.640  -2.869  -6.669
  721   1HH1  ARG  86          1HH2      ARG  86 -12.235   0.290  -7.093
  722   2HH1  ARG  86          2HH2      ARG  86 -13.700   0.989  -7.687
  723   1HH2  ARG  86          1HH1      ARG  86 -15.541  -1.938  -7.440
  724   2HH2  ARG  86          2HH1      ARG  86 -15.565  -0.264  -7.880
  725    H    THR  87           H        THR  87 -10.057  -2.989  -1.476
  726    HA   THR  87           HA       THR  87  -9.617  -0.513   0.170
  727    HB   THR  87           HB       THR  87 -11.447  -2.875   0.710
  728    HG1  THR  87           1HG      THR  87 -11.887  -0.369  -0.520
  729   1HG2  THR  87          1HG2      THR  87 -12.450  -1.353   2.373
  730   2HG2  THR  87          2HG2      THR  87 -11.254  -0.123   1.965
  731   3HG2  THR  87          3HG2      THR  87 -10.743  -1.636   2.714
  732    H    PHE  88           H        PHE  88  -8.185  -0.698   1.871
  733    HA   PHE  88           HA       PHE  88  -7.272  -3.423   2.688
  734   1HB   PHE  88          2HB       PHE  88  -5.151  -3.013   1.974
  735   2HB   PHE  88          1HB       PHE  88  -5.871  -1.732   1.010
  736    HD1  PHE  88           1HD      PHE  88  -4.422  -2.412   4.396
  737    HD2  PHE  88           2HD      PHE  88  -5.209   0.500   1.338
  738    HE1  PHE  88           1HE      PHE  88  -3.086  -0.740   5.642
  739    HE2  PHE  88           2HE      PHE  88  -3.874   2.173   2.590
  740    HZ   PHE  88           HZ       PHE  88  -2.812   1.553   4.742
  741    H    HIS  89           H        HIS  89  -6.799  -3.581   4.921
  742    HA   HIS  89           HA       HIS  89  -7.686  -1.243   6.560
  743   1HB   HIS  89          2HB       HIS  89  -7.469  -4.232   6.974
  744   2HB   HIS  89          1HB       HIS  89  -7.803  -3.131   8.309
  745    HD1  HIS  89           1HD      HIS  89 -10.212  -4.232   8.505
  746    HD2  HIS  89           2HD      HIS  89  -9.497  -2.224   4.922
  747    HE1  HIS  89           1HE      HIS  89 -12.467  -3.907   7.400
  748    H    VAL  90           H        VAL  90  -6.435  -0.583   8.399
  749    HA   VAL  90           HA       VAL  90  -3.535  -1.336   8.256
  750    HB   VAL  90           HB       VAL  90  -3.198   0.871   9.376
  751   1HG1  VAL  90          1HG1      VAL  90  -4.663   0.653   6.769
  752   2HG1  VAL  90          2HG1      VAL  90  -2.989   1.116   7.077
  753   3HG1  VAL  90          3HG1      VAL  90  -4.293   2.250   7.417
  754   1HG2  VAL  90          1HG2      VAL  90  -5.548   0.763  10.444
  755   2HG2  VAL  90          2HG2      VAL  90  -6.136   1.389   8.904
  756   3HG2  VAL  90          3HG2      VAL  90  -4.996   2.331   9.861
  757    H    ASP  91           H        ASP  91  -2.411  -1.497  10.378
  758    HA   ASP  91           HA       ASP  91  -3.765  -3.169  12.258
  759   1HB   ASP  91          2HB       ASP  91  -1.162  -1.847  11.900
  760   2HB   ASP  91          1HB       ASP  91  -1.597  -2.086  13.593
  761    H    SER  92           H        SER  92  -3.411   0.360  12.124
  762    HA   SER  92           HA       SER  92  -5.363   0.611  14.335
  763   1HB   SER  92          2HB       SER  92  -3.884   1.447  15.884
  764   2HB   SER  92          1HB       SER  92  -2.721   0.507  14.957
  765    HG   SER  92           HG       SER  92  -1.812   2.313  14.398
  766    HA   PRO  93           HA       PRO  93  -6.589   4.244  12.169
  767   1HB   PRO  93          2HB       PRO  93  -7.042   6.062  14.180
  768   2HB   PRO  93          1HB       PRO  93  -8.134   4.707  13.832
  769   1HG   PRO  93          2HG       PRO  93  -6.015   4.933  15.920
  770   2HG   PRO  93          1HG       PRO  93  -7.652   4.265  16.045
  771   1HD   PRO  93          2HD       PRO  93  -5.485   2.686  15.797
  772   2HD   PRO  93          1HD       PRO  93  -7.051   2.256  15.071
  773    H    ASP  94           H        ASP  94  -4.073   4.690  14.637
  774    HA   ASP  94           HA       ASP  94  -3.035   7.206  13.706
  775   1HB   ASP  94          2HB       ASP  94  -2.154   4.899  15.401
  776   2HB   ASP  94          1HB       ASP  94  -0.911   6.026  14.857
  777    H    GLU  95           H        GLU  95  -2.313   3.809  12.885
  778    HA   GLU  95           HA       GLU  95  -0.091   4.266  11.137
  779   1HB   GLU  95          2HB       GLU  95  -1.835   2.136  11.984
  780   2HB   GLU  95          1HB       GLU  95  -1.687   2.073  10.229
  781   1HG   GLU  95          2HG       GLU  95   0.226   0.920  10.674
  782   2HG   GLU  95          1HG       GLU  95   0.907   2.525  10.919
  783    H    ARG  96           H        ARG  96  -3.602   4.042  10.487
  784    HA   ARG  96           HA       ARG  96  -3.576   4.356   7.669
  785   1HB   ARG  96          2HB       ARG  96  -5.558   3.736   8.867
  786   2HB   ARG  96          1HB       ARG  96  -5.489   5.186   9.865
  787   1HG   ARG  96          2HG       ARG  96  -5.783   6.523   7.705
  788   2HG   ARG  96          1HG       ARG  96  -6.174   4.989   6.925
  789   1HD   ARG  96          2HD       ARG  96  -8.315   5.444   7.591
  790   2HD   ARG  96          1HD       ARG  96  -7.756   4.903   9.182
  791    HE   ARG  96           HE       ARG  96  -7.402   7.763   8.395
  792   1HH1  ARG  96          1HH2      ARG  96  -8.712   5.332  10.528
  793   2HH1  ARG  96          2HH2      ARG  96  -9.275   6.484  11.681
  794   1HH2  ARG  96          1HH1      ARG  96  -8.132   9.242   9.924
  795   2HH2  ARG  96          2HH1      ARG  96  -8.943   8.683  11.349
  796    H    GLU  97           H        GLU  97  -3.596   6.874  10.231
  797    HA   GLU  97           HA       GLU  97  -3.690   9.120   8.413
  798   1HB   GLU  97          2HB       GLU  97  -4.281   9.272  10.785
  799   2HB   GLU  97          1HB       GLU  97  -2.652   8.789  11.252
  800   1HG   GLU  97          2HG       GLU  97  -2.853  11.211  11.458
  801   2HG   GLU  97          1HG       GLU  97  -1.764  10.835  10.124
  802    H    GLU  98           H        GLU  98  -1.041   7.238   9.860
  803    HA   GLU  98           HA       GLU  98   1.126   8.915   8.973
  804   1HB   GLU  98          2HB       GLU  98   0.987   6.990  10.723
  805   2HB   GLU  98          1HB       GLU  98   1.257   5.922   9.344
  806   1HG   GLU  98          2HG       GLU  98   3.130   8.021   9.082
  807   2HG   GLU  98          1HG       GLU  98   3.167   7.550  10.780
  808    H    TRP  99           H        TRP  99  -0.524   6.107   7.491
  809    HA   TRP  99           HA       TRP  99   1.209   5.774   5.230
  810   1HB   TRP  99          2HB       TRP  99  -1.749   5.263   5.676
  811   2HB   TRP  99          1HB       TRP  99  -0.875   4.701   4.254
  812    HD1  TRP  99           HD       TRP  99  -2.073   3.330   7.250
  813    HE1  TRP  99           1HE      TRP  99  -0.624   1.406   8.149
  814    HE3  TRP  99           3HE      TRP  99   2.199   4.116   4.567
  815    HZ2  TRP  99           2HZ      TRP  99   1.996   0.328   7.776
  816    HZ3  TRP  99           3HZ      TRP  99   4.155   2.623   4.857
  817    HH2  TRP  99           HH       TRP  99   4.058   0.733   6.458
  818    H    MET 100           H        MET 100  -1.793   7.679   5.637
  819    HA   MET 100           HA       MET 100  -2.032   8.712   3.010
  820   1HB   MET 100          2HB       MET 100  -3.412   8.891   5.325
  821   2HB   MET 100          1HB       MET 100  -2.632  10.472   5.345
  822   1HG   MET 100          2HG       MET 100  -3.874   9.613   2.775
  823   2HG   MET 100          1HG       MET 100  -4.967  10.051   4.087
  824   1HE   MET 100          1HE       MET 100  -3.788  12.311   5.728
  825   2HE   MET 100          2HE       MET 100  -5.389  12.164   5.009
  826   3HE   MET 100          3HE       MET 100  -4.476  13.657   4.810
  827    H    ARG 101           H        ARG 101  -0.201   9.993   5.805
  828    HA   ARG 101           HA       ARG 101   0.776  12.375   4.535
  829   1HB   ARG 101          2HB       ARG 101   0.731  11.751   6.998
  830   2HB   ARG 101          1HB       ARG 101   2.104  10.690   6.683
  831   1HG   ARG 101          2HG       ARG 101   3.271  12.586   7.272
  832   2HG   ARG 101          1HG       ARG 101   3.068  12.925   5.554
  833   1HD   ARG 101          2HD       ARG 101   2.418  14.909   6.847
  834   2HD   ARG 101          1HD       ARG 101   0.965  14.200   6.117
  835    HE   ARG 101           HE       ARG 101   1.307  12.932   8.620
  836   1HH1  ARG 101          1HH2      ARG 101   0.731  16.129   7.374
  837   2HH1  ARG 101          2HH2      ARG 101  -0.177  16.634   8.757
  838   1HH2  ARG 101          1HH1      ARG 101   0.113  13.593  10.409
  839   2HH2  ARG 101          2HH1      ARG 101  -0.533  15.198  10.470
  840    H    ALA 102           H        ALA 102   2.160   9.085   4.817
  841    HA   ALA 102           HA       ALA 102   4.643   9.654   3.469
  842   1HB   ALA 102          1HB       ALA 102   3.698   6.949   3.074
  843   2HB   ALA 102          2HB       ALA 102   3.303   7.481   4.708
  844   3HB   ALA 102          3HB       ALA 102   4.974   7.522   4.146
  845    H    ILE 103           H        ILE 103   1.545   8.286   2.304
  846    HA   ILE 103           HA       ILE 103   2.291   7.926  -0.433
  847    HB   ILE 103           HB       ILE 103  -0.357   8.544   0.927
  848   1HG1  ILE 103          2HG1      ILE 103   0.509   5.881  -0.178
  849   2HG1  ILE 103          1HG1      ILE 103   1.083   6.394   1.408
  850   1HG2  ILE 103          1HG2      ILE 103  -0.390   9.067  -1.519
  851   2HG2  ILE 103          2HG2      ILE 103  -1.440   7.717  -1.095
  852   3HG2  ILE 103          3HG2      ILE 103   0.124   7.411  -1.848
  853   1HD1  ILE 103          1HD1      ILE 103  -1.610   6.986   1.536
  854   2HD1  ILE 103          2HD1      ILE 103  -0.859   5.533   2.194
  855   3HD1  ILE 103          3HD1      ILE 103  -1.591   5.498   0.591
  856    H    GLN 104           H        GLN 104   0.802  10.715   1.247
  857    HA   GLN 104           HA       GLN 104   0.568  12.394  -1.084
  858   1HB   GLN 104          2HB       GLN 104  -0.505  12.484   1.300
  859   2HB   GLN 104          1HB       GLN 104   0.954  13.370   1.745
  860   1HG   GLN 104          2HG       GLN 104  -0.590  15.057   1.122
  861   2HG   GLN 104          1HG       GLN 104   0.446  14.869  -0.295
  862   1HE2  GLN 104          1HE2      GLN 104  -0.504  14.025  -2.233
  863   2HE2  GLN 104          2HE2      GLN 104  -2.159  13.675  -2.367
  864    H    MET 105           H        MET 105   3.129  12.006   1.377
  865    HA   MET 105           HA       MET 105   4.779  14.194   0.468
  866   1HB   MET 105          2HB       MET 105   4.871  13.053   2.694
  867   2HB   MET 105          1HB       MET 105   5.519  11.618   1.900
  868   1HG   MET 105          2HG       MET 105   7.068  13.863   1.045
  869   2HG   MET 105          1HG       MET 105   6.940  13.930   2.803
  870   1HE   MET 105          1HE       MET 105   9.374  13.706   3.064
  871   2HE   MET 105          2HE       MET 105   9.746  13.509   1.353
  872   3HE   MET 105          3HE       MET 105  10.393  12.364   2.526
  873    H    VAL 106           H        VAL 106   4.855  10.673  -0.212
  874    HA   VAL 106           HA       VAL 106   7.110  10.811  -2.021
  875    HB   VAL 106           HB       VAL 106   4.879   8.825  -1.499
  876   1HG1  VAL 106          1HG1      VAL 106   5.480   8.315  -3.733
  877   2HG1  VAL 106          2HG1      VAL 106   6.482   7.234  -2.763
  878   3HG1  VAL 106          3HG1      VAL 106   7.179   8.700  -3.454
  879   1HG2  VAL 106          1HG2      VAL 106   7.386   7.741  -0.899
  880   2HG2  VAL 106          2HG2      VAL 106   6.226   8.384   0.263
  881   3HG2  VAL 106          3HG2      VAL 106   7.505   9.420  -0.371
  882    H    ALA 107           H        ALA 107   3.557  10.746  -2.528
  883    HA   ALA 107           HA       ALA 107   3.546  10.745  -5.375
  884   1HB   ALA 107          1HB       ALA 107   1.690  11.947  -3.298
  885   2HB   ALA 107          2HB       ALA 107   1.551  10.363  -4.061
  886   3HB   ALA 107          3HB       ALA 107   1.281  11.826  -5.009
  887    H    ASN 108           H        ASN 108   4.002  13.398  -3.057
  888    HA   ASN 108           HA       ASN 108   3.671  15.628  -4.794
  889   1HB   ASN 108          2HB       ASN 108   4.656  15.002  -2.160
  890   2HB   ASN 108          1HB       ASN 108   5.757  16.144  -2.930
  891   1HD2  ASN 108          1HD2      ASN 108   2.422  15.702  -1.803
  892   2HD2  ASN 108          2HD2      ASN 108   1.980  17.337  -1.935
  893    H    SER 109           H        SER 109   6.312  13.311  -4.565
  894    HA   SER 109           HA       SER 109   8.253  15.028  -5.955
  895   1HB   SER 109          2HB       SER 109   9.004  13.456  -4.277
  896   2HB   SER 109          1HB       SER 109   8.170  12.127  -5.074
  897    HG   SER 109           HG       SER 109  10.223  11.962  -5.775
  898    H    LEU 110           H        LEU 110   6.085  12.324  -6.787
  899    HA   LEU 110           HA       LEU 110   6.849  12.716  -9.664
  900   1HB   LEU 110          2HB       LEU 110   6.477  10.272  -9.892
  901   2HB   LEU 110          1HB       LEU 110   7.723  10.628  -8.699
  902    HG   LEU 110           HG       LEU 110   5.091  10.571  -7.464
  903   1HD1  LEU 110          1HD1      LEU 110   5.963   8.222  -9.144
  904   2HD1  LEU 110          2HD1      LEU 110   4.372   8.975  -9.051
  905   3HD1  LEU 110          3HD1      LEU 110   4.965   7.998  -7.709
  906   1HD2  LEU 110          1HD2      LEU 110   6.224   9.210  -5.867
  907   2HD2  LEU 110          2HD2      LEU 110   7.443  10.343  -6.449
  908   3HD2  LEU 110          3HD2      LEU 110   7.421   8.685  -7.051
  909    H    LYS 111           H        LYS 111   4.758  14.189  -8.512
  910    HA   LYS 111           HA       LYS 111   2.189  12.846  -9.021
  911   1HB   LYS 111          2HB       LYS 111   1.305  15.117  -8.427
  912   2HB   LYS 111          1HB       LYS 111   2.413  14.477  -7.218
  913   1HG   LYS 111          2HG       LYS 111   4.204  15.876  -7.986
  914   2HG   LYS 111          1HG       LYS 111   3.314  16.326  -9.442
  915   1HD   LYS 111          2HD       LYS 111   1.621  17.469  -8.049
  916   2HD   LYS 111          1HD       LYS 111   2.521  17.027  -6.597
  917   1HE   LYS 111          2HE       LYS 111   4.239  18.537  -7.033
  918   2HE   LYS 111          1HE       LYS 111   3.969  18.493  -8.787
  919   1HZ   LYS 111          1HZ       LYS 111   3.099  20.546  -7.898
  920   2HZ   LYS 111          2HZ       LYS 111   2.163  19.706  -6.756
  921   3HZ   LYS 111          3HZ       LYS 111   1.808  19.575  -8.412
  Start of MODEL    6
    1   1H    MET   1          1H        MET   1  20.430   7.780  -8.602
    2   2H    MET   1          2H        MET   1  18.867   8.431  -8.474
    3   3H    MET   1          3H        MET   1  20.085   9.298  -9.279
    4    HA   MET   1           HA       MET   1  18.492   8.209 -10.825
    5   1HB   MET   1          2HB       MET   1  21.450   7.704 -10.663
    6   2HB   MET   1          1HB       MET   1  20.539   7.003 -12.001
    7   1HG   MET   1          2HG       MET   1  19.588   9.333 -12.409
    8   2HG   MET   1          1HG       MET   1  20.801   9.929 -11.276
    9   1HE   MET   1          1HE       MET   1  23.904  10.265 -13.110
   10   2HE   MET   1          2HE       MET   1  23.333   9.693 -11.545
   11   3HE   MET   1          3HE       MET   1  22.614  11.131 -12.264
   12    H    ASN   2           H        ASN   2  17.029   6.566 -10.468
   13    HA   ASN   2           HA       ASN   2  16.175   4.397 -10.116
   14   1HB   ASN   2          2HB       ASN   2  18.334   4.314 -11.859
   15   2HB   ASN   2          1HB       ASN   2  18.727   3.062 -10.680
   16   1HD2  ASN   2          1HD2      ASN   2  16.008   4.160 -12.780
   17   2HD2  ASN   2          2HD2      ASN   2  15.362   2.607 -13.002
   18    H    GLU   3           H        GLU   3  16.936   5.604  -7.742
   19    HA   GLU   3           HA       GLU   3  17.927   3.269  -6.173
   20   1HB   GLU   3          2HB       GLU   3  19.352   4.906  -4.864
   21   2HB   GLU   3          1HB       GLU   3  19.875   4.667  -6.530
   22   1HG   GLU   3          2HG       GLU   3  18.584   6.731  -7.166
   23   2HG   GLU   3          1HG       GLU   3  18.257   6.997  -5.454
   24    H    VAL   4           H        VAL   4  15.286   3.765  -6.281
   25    HA   VAL   4           HA       VAL   4  14.330   5.721  -4.347
   26    HB   VAL   4           HB       VAL   4  13.235   3.472  -6.002
   27   1HG1  VAL   4          1HG1      VAL   4  12.112   3.034  -3.902
   28   2HG1  VAL   4          2HG1      VAL   4  10.974   3.874  -4.953
   29   3HG1  VAL   4          3HG1      VAL   4  11.791   4.751  -3.661
   30   1HG2  VAL   4          1HG2      VAL   4  13.495   5.921  -6.712
   31   2HG2  VAL   4          2HG2      VAL   4  12.196   6.281  -5.576
   32   3HG2  VAL   4          3HG2      VAL   4  11.900   5.209  -6.945
   33    H    SER   5           H        SER   5  13.863   5.412  -2.173
   34    HA   SER   5           HA       SER   5  14.627   2.766  -0.982
   35   1HB   SER   5          2HB       SER   5  15.084   4.159   1.040
   36   2HB   SER   5          1HB       SER   5  16.022   4.690  -0.353
   37    HG   SER   5           HG       SER   5  14.649   6.246   1.045
   38    H    VAL   6           H        VAL   6  13.401   2.672   1.353
   39    HA   VAL   6           HA       VAL   6  10.523   2.655   0.690
   40    HB   VAL   6           HB       VAL   6  12.240   1.677   2.984
   41   1HG1  VAL   6          1HG1      VAL   6  10.165   2.367   4.016
   42   2HG1  VAL   6          2HG1      VAL   6  10.110   0.613   3.837
   43   3HG1  VAL   6          3HG1      VAL   6   9.219   1.642   2.715
   44   1HG2  VAL   6          1HG2      VAL   6  12.383   0.209   1.133
   45   2HG2  VAL   6          2HG2      VAL   6  10.681   0.421   0.724
   46   3HG2  VAL   6          3HG2      VAL   6  11.136  -0.514   2.148
   47    H    ILE   7           H        ILE   7   9.080   4.166   1.412
   48    HA   ILE   7           HA       ILE   7  10.061   6.494   2.931
   49    HB   ILE   7           HB       ILE   7   7.409   5.701   1.679
   50   1HG1  ILE   7          2HG1      ILE   7   9.069   6.158   0.000
   51   2HG1  ILE   7          1HG1      ILE   7   8.048   7.591   0.103
   52   1HG2  ILE   7          1HG2      ILE   7   8.232   8.306   2.992
   53   2HG2  ILE   7          2HG2      ILE   7   6.974   7.203   3.549
   54   3HG2  ILE   7          3HG2      ILE   7   6.767   8.083   2.036
   55   1HD1  ILE   7          1HD1      ILE   7  10.883   7.212   0.978
   56   2HD1  ILE   7          2HD1      ILE   7   9.874   8.321   1.905
   57   3HD1  ILE   7          3HD1      ILE   7  10.131   8.593   0.183
   58    H    LYS   8           H        LYS   8   7.543   3.973   3.338
   59    HA   LYS   8           HA       LYS   8   7.895   4.111   6.279
   60   1HB   LYS   8          2HB       LYS   8   6.139   5.816   5.190
   61   2HB   LYS   8          1HB       LYS   8   5.105   4.388   5.230
   62   1HG   LYS   8          2HG       LYS   8   4.664   5.176   7.347
   63   2HG   LYS   8          1HG       LYS   8   6.105   4.230   7.719
   64   1HD   LYS   8          2HD       LYS   8   6.500   6.354   8.708
   65   2HD   LYS   8          1HD       LYS   8   7.441   6.368   7.216
   66   1HE   LYS   8          2HE       LYS   8   5.935   7.811   6.125
   67   2HE   LYS   8          1HE       LYS   8   4.606   7.411   7.229
   68   1HZ   LYS   8          1HZ       LYS   8   7.017   9.040   7.777
   69   2HZ   LYS   8          2HZ       LYS   8   6.120   8.338   9.038
   70   3HZ   LYS   8          3HZ       LYS   8   5.388   9.461   7.996
   71    H    GLU   9           H        GLU   9   7.515   2.101   7.182
   72    HA   GLU   9           HA       GLU   9   6.025   0.085   5.538
   73   1HB   GLU   9          2HB       GLU   9   7.746  -1.558   6.210
   74   2HB   GLU   9          1HB       GLU   9   8.467  -0.209   5.336
   75   1HG   GLU   9          2HG       GLU   9   8.911   0.836   7.646
   76   2HG   GLU   9          1HG       GLU   9   8.536  -0.756   8.308
   77    H    GLY  10           H        GLY  10   4.700  -1.305   6.719
   78   1HA   GLY  10          2HA       GLY  10   4.854  -1.551   9.608
   79   2HA   GLY  10          1HA       GLY  10   3.541  -0.487   9.107
   80    H    TRP  11           H        TRP  11   2.886  -2.820  10.427
   81    HA   TRP  11           HA       TRP  11   2.247  -4.927   8.464
   82   1HB   TRP  11          2HB       TRP  11   1.831  -4.475  11.423
   83   2HB   TRP  11          1HB       TRP  11   1.104  -5.855  10.597
   84    HD1  TRP  11           HD       TRP  11   4.459  -4.415  11.665
   85    HE1  TRP  11           1HE      TRP  11   6.277  -6.221  11.389
   86    HE3  TRP  11           3HE      TRP  11   1.763  -8.017   9.251
   87    HZ2  TRP  11           2HZ      TRP  11   6.550  -8.850  10.293
   88    HZ3  TRP  11           3HZ      TRP  11   2.825 -10.160   8.603
   89    HH2  TRP  11           HH       TRP  11   5.213 -10.577   9.121
   90    H    LEU  12           H        LEU  12   0.392  -4.919   7.276
   91    HA   LEU  12           HA       LEU  12  -1.957  -3.351   8.297
   92   1HB   LEU  12          2HB       LEU  12  -0.939  -3.617   5.447
   93   2HB   LEU  12          1HB       LEU  12  -2.304  -2.631   5.972
   94    HG   LEU  12           HG       LEU  12   0.555  -2.268   6.926
   95   1HD1  LEU  12          1HD1      LEU  12  -0.654  -1.497   4.475
   96   2HD1  LEU  12          2HD1      LEU  12   0.919  -1.007   5.103
   97   3HD1  LEU  12          3HD1      LEU  12  -0.511  -0.039   5.458
   98   1HD2  LEU  12          1HD2      LEU  12  -0.209  -0.468   8.187
   99   2HD2  LEU  12          2HD2      LEU  12  -1.566  -1.578   8.346
  100   3HD2  LEU  12          3HD2      LEU  12  -1.648  -0.246   7.196
  101    H    HIS  13           H        HIS  13  -4.054  -4.124   7.405
  102    HA   HIS  13           HA       HIS  13  -4.039  -7.090   7.035
  103   1HB   HIS  13          2HB       HIS  13  -5.882  -5.008   8.136
  104   2HB   HIS  13          1HB       HIS  13  -6.613  -6.459   7.453
  105    HD1  HIS  13           1HD      HIS  13  -6.998  -8.182   9.208
  106    HD2  HIS  13           2HD      HIS  13  -3.546  -5.969   9.973
  107    HE1  HIS  13           1HE      HIS  13  -6.010  -9.109  11.348
  108    H    LYS  14           H        LYS  14  -4.469  -7.895   5.002
  109    HA   LYS  14           HA       LYS  14  -5.891  -6.103   3.054
  110   1HB   LYS  14          2HB       LYS  14  -3.292  -7.212   3.008
  111   2HB   LYS  14          1HB       LYS  14  -4.229  -8.137   1.835
  112   1HG   LYS  14          2HG       LYS  14  -4.164  -5.107   1.934
  113   2HG   LYS  14          1HG       LYS  14  -3.149  -6.079   0.869
  114   1HD   LYS  14          2HD       LYS  14  -5.622  -7.146   0.361
  115   2HD   LYS  14          1HD       LYS  14  -6.031  -5.458   0.669
  116   1HE   LYS  14          2HE       LYS  14  -4.011  -4.947  -0.940
  117   2HE   LYS  14          1HE       LYS  14  -4.280  -6.610  -1.494
  118   1HZ   LYS  14          1HZ       LYS  14  -5.701  -5.265  -2.789
  119   2HZ   LYS  14          2HZ       LYS  14  -6.227  -4.369  -1.443
  120   3HZ   LYS  14          3HZ       LYS  14  -6.709  -5.990  -1.631
  121    H    ARG  15           H        ARG  15  -7.616  -7.010   1.963
  122    HA   ARG  15           HA       ARG  15  -8.757  -9.509   2.906
  123   1HB   ARG  15          2HB       ARG  15  -9.920  -7.387   2.091
  124   2HB   ARG  15          1HB       ARG  15  -9.485  -7.880   0.457
  125   1HG   ARG  15          2HG       ARG  15 -10.601 -10.179   1.575
  126   2HG   ARG  15          1HG       ARG  15 -11.618  -8.871   2.182
  127   1HD   ARG  15          2HD       ARG  15 -12.663  -9.214   0.142
  128   2HD   ARG  15          1HD       ARG  15 -11.411  -8.081  -0.395
  129    HE   ARG  15           HE       ARG  15 -11.252 -11.052  -0.639
  130   1HH1  ARG  15          1HH2      ARG  15 -10.044  -7.868  -1.411
  131   2HH1  ARG  15          2HH2      ARG  15  -8.975  -8.456  -2.634
  132   1HH2  ARG  15          1HH1      ARG  15  -9.860 -11.781  -2.231
  133   2HH2  ARG  15          2HH1      ARG  15  -8.867 -10.654  -3.095
  134    H    GLY  16           H        GLY  16  -8.430 -11.542   2.052
  135   1HA   GLY  16          2HA       GLY  16  -8.205 -12.331  -0.589
  136   2HA   GLY  16          1HA       GLY  16  -6.552 -11.907  -0.149
  137    H    GLU  17           H        GLU  17  -5.658 -13.962  -0.095
  138    HA   GLU  17           HA       GLU  17  -5.061 -16.025   0.875
  139   1HB   GLU  17          2HB       GLU  17  -6.186 -14.391   2.914
  140   2HB   GLU  17          1HB       GLU  17  -6.850 -16.008   3.140
  141   1HG   GLU  17          2HG       GLU  17  -4.863 -16.183   4.338
  142   2HG   GLU  17          1HG       GLU  17  -4.348 -16.762   2.754
  143    H    TYR  18           H        TYR  18  -6.108 -18.179   1.547
  144    HA   TYR  18           HA       TYR  18  -8.105 -18.961  -0.351
  145   1HB   TYR  18          2HB       TYR  18  -7.908 -21.106   0.728
  146   2HB   TYR  18          1HB       TYR  18  -6.315 -20.357   0.805
  147    HD1  TYR  18           1HD      TYR  18  -5.439 -19.458   2.931
  148    HD2  TYR  18           2HD      TYR  18  -9.270 -21.393   2.725
  149    HE1  TYR  18           1HE      TYR  18  -5.476 -19.650   5.402
  150    HE2  TYR  18           2HE      TYR  18  -9.305 -21.585   5.197
  151    HH   TYR  18           HH       TYR  18  -7.109 -21.614   7.069
  152    H    ILE  19           H        ILE  19  -8.377 -17.727   2.934
  153    HA   ILE  19           HA       ILE  19 -11.218 -18.535   3.155
  154    HB   ILE  19           HB       ILE  19  -9.585 -18.708   5.031
  155   1HG1  ILE  19          2HG1      ILE  19 -11.720 -16.639   5.623
  156   2HG1  ILE  19          1HG1      ILE  19 -12.069 -18.352   5.388
  157   1HG2  ILE  19          1HG2      ILE  19  -9.388 -15.755   4.516
  158   2HG2  ILE  19          2HG2      ILE  19  -8.107 -16.916   4.864
  159   3HG2  ILE  19          3HG2      ILE  19  -9.167 -16.360   6.158
  160   1HD1  ILE  19          1HD1      ILE  19 -10.546 -17.018   7.608
  161   2HD1  ILE  19          2HD1      ILE  19 -10.196 -18.698   7.199
  162   3HD1  ILE  19          3HD1      ILE  19 -11.820 -18.233   7.708
  163    H    LYS  20           H        LYS  20  -9.596 -15.972   1.689
  164    HA   LYS  20           HA       LYS  20 -10.263 -13.830   0.970
  165   1HB   LYS  20          2HB       LYS  20 -12.144 -15.456   0.259
  166   2HB   LYS  20          1HB       LYS  20 -13.058 -14.787   1.609
  167   1HG   LYS  20          2HG       LYS  20 -12.066 -12.527   0.336
  168   2HG   LYS  20          1HG       LYS  20 -12.470 -13.602  -1.003
  169   1HD   LYS  20          2HD       LYS  20 -14.509 -13.563   1.114
  170   2HD   LYS  20          1HD       LYS  20 -14.270 -11.995   0.346
  171   1HE   LYS  20          2HE       LYS  20 -15.972 -13.211  -0.914
  172   2HE   LYS  20          1HE       LYS  20 -14.499 -13.155  -1.900
  173   1HZ   LYS  20          1HZ       LYS  20 -13.951 -15.329  -1.366
  174   2HZ   LYS  20          2HZ       LYS  20 -15.638 -15.422  -1.536
  175   3HZ   LYS  20          3HZ       LYS  20 -14.942 -15.366   0.011
  176    H    THR  21           H        THR  21  -9.296 -13.516   3.403
  177    HA   THR  21           HA       THR  21 -11.290 -11.789   4.826
  178    HB   THR  21           HB       THR  21  -9.261 -13.545   6.223
  179    HG1  THR  21           1HG      THR  21 -11.943 -14.184   5.541
  180   1HG2  THR  21          1HG2      THR  21 -10.112 -12.020   7.763
  181   2HG2  THR  21          2HG2      THR  21 -11.229 -13.369   7.955
  182   3HG2  THR  21          3HG2      THR  21 -11.697 -11.969   6.991
  183    H    TRP  22           H        TRP  22 -10.077 -10.330   6.444
  184    HA   TRP  22           HA       TRP  22  -7.807  -9.049   5.067
  185   1HB   TRP  22          2HB       TRP  22  -9.284  -8.406   7.646
  186   2HB   TRP  22          1HB       TRP  22  -8.172  -7.327   6.811
  187    HD1  TRP  22           HD       TRP  22 -11.685  -8.751   6.633
  188    HE1  TRP  22           1HE      TRP  22 -13.025  -7.473   4.843
  189    HE3  TRP  22           3HE      TRP  22  -7.941  -5.979   4.544
  190    HZ2  TRP  22           2HZ      TRP  22 -12.572  -5.529   2.799
  191    HZ3  TRP  22           3HZ      TRP  22  -8.425  -4.420   2.680
  192    HH2  TRP  22           HH       TRP  22 -10.733  -4.192   1.808
  193    H    ARG  23           H        ARG  23  -5.936 -10.294   5.383
  194    HA   ARG  23           HA       ARG  23  -5.289 -11.230   8.141
  195   1HB   ARG  23          2HB       ARG  23  -5.003 -12.227   5.490
  196   2HB   ARG  23          1HB       ARG  23  -3.375 -11.951   6.109
  197   1HG   ARG  23          2HG       ARG  23  -4.402 -13.133   8.273
  198   2HG   ARG  23          1HG       ARG  23  -5.477 -13.843   7.069
  199   1HD   ARG  23          2HD       ARG  23  -3.779 -15.054   6.072
  200   2HD   ARG  23          1HD       ARG  23  -2.556 -13.822   6.432
  201    HE   ARG  23           HE       ARG  23  -2.357 -14.689   8.660
  202   1HH1  ARG  23          1HH2      ARG  23  -4.811 -16.318   6.790
  203   2HH1  ARG  23          2HH2      ARG  23  -4.941 -17.636   7.900
  204   1HH2  ARG  23          1HH1      ARG  23  -2.549 -16.411  10.096
  205   2HH2  ARG  23          2HH1      ARG  23  -3.670 -17.688   9.766
  206    HA   PRO  24           HA       PRO  24  -2.335  -7.986   8.634
  207   1HB   PRO  24          2HB       PRO  24  -0.663  -9.172  10.455
  208   2HB   PRO  24          1HB       PRO  24  -2.268  -8.542  10.878
  209   1HG   PRO  24          2HG       PRO  24  -1.414 -11.343  10.354
  210   2HG   PRO  24          1HG       PRO  24  -2.551 -10.715  11.558
  211   1HD   PRO  24          2HD       PRO  24  -3.331 -11.911   9.238
  212   2HD   PRO  24          1HD       PRO  24  -4.300 -10.683  10.082
  213    H    ARG  25           H        ARG  25  -0.684  -7.463   7.276
  214    HA   ARG  25           HA       ARG  25   1.398  -9.500   6.597
  215   1HB   ARG  25          2HB       ARG  25  -0.659  -8.219   4.908
  216   2HB   ARG  25          1HB       ARG  25   0.972  -8.128   4.245
  217   1HG   ARG  25          2HG       ARG  25   1.018 -10.697   4.938
  218   2HG   ARG  25          1HG       ARG  25  -0.729 -10.531   4.769
  219   1HD   ARG  25          2HD       ARG  25   0.622  -9.220   2.555
  220   2HD   ARG  25          1HD       ARG  25   1.114 -10.916   2.670
  221    HE   ARG  25           HE       ARG  25  -1.714  -9.968   2.443
  222   1HH1  ARG  25          1HH2      ARG  25   0.656 -12.529   2.357
  223   2HH1  ARG  25          2HH2      ARG  25  -0.443 -13.675   1.683
  224   1HH2  ARG  25          1HH1      ARG  25  -3.122 -11.488   1.565
  225   2HH2  ARG  25          2HH1      ARG  25  -2.568 -13.096   1.246
  226    H    TYR  26           H        TYR  26   3.459  -8.555   6.223
  227    HA   TYR  26           HA       TYR  26   3.900  -5.894   7.309
  228   1HB   TYR  26          2HB       TYR  26   5.388  -8.062   7.230
  229   2HB   TYR  26          1HB       TYR  26   5.868  -7.465   5.644
  230    HD1  TYR  26           1HD      TYR  26   7.900  -7.783   7.710
  231    HD2  TYR  26           2HD      TYR  26   5.270  -4.461   6.981
  232    HE1  TYR  26           1HE      TYR  26   9.528  -6.254   8.783
  233    HE2  TYR  26           2HE      TYR  26   6.901  -2.937   8.056
  234    HH   TYR  26           HH       TYR  26   9.624  -3.098   8.406
  235    H    PHE  27           H        PHE  27   3.118  -4.197   6.082
  236    HA   PHE  27           HA       PHE  27   3.485  -4.256   3.123
  237   1HB   PHE  27          2HB       PHE  27   1.620  -3.072   5.087
  238   2HB   PHE  27          1HB       PHE  27   2.015  -2.027   3.721
  239    HD1  PHE  27           1HD      PHE  27   0.874  -5.482   4.583
  240    HD2  PHE  27           2HD      PHE  27   1.047  -2.396   1.600
  241    HE1  PHE  27           1HE      PHE  27  -0.630  -6.808   3.124
  242    HE2  PHE  27           2HE      PHE  27  -0.457  -3.721   0.142
  243    HZ   PHE  27           HZ       PHE  27  -1.294  -5.927   0.904
  244    H    LEU  28           H        LEU  28   4.891  -2.854   2.115
  245    HA   LEU  28           HA       LEU  28   6.195  -0.725   3.790
  246   1HB   LEU  28          2HB       LEU  28   7.424  -2.637   1.772
  247   2HB   LEU  28          1HB       LEU  28   8.297  -1.350   2.603
  248    HG   LEU  28           HG       LEU  28   7.096  -2.672   4.701
  249   1HD1  LEU  28          1HD1      LEU  28   7.537  -5.075   4.326
  250   2HD1  LEU  28          2HD1      LEU  28   7.988  -4.731   2.656
  251   3HD1  LEU  28          3HD1      LEU  28   6.328  -4.472   3.192
  252   1HD2  LEU  28          1HD2      LEU  28   9.329  -3.447   5.217
  253   2HD2  LEU  28          2HD2      LEU  28   9.481  -1.882   4.419
  254   3HD2  LEU  28          3HD2      LEU  28   9.802  -3.365   3.520
  255    H    LEU  29           H        LEU  29   6.036   1.270   2.844
  256    HA   LEU  29           HA       LEU  29   5.192   1.453  -0.017
  257   1HB   LEU  29          2HB       LEU  29   3.860   2.559   1.755
  258   2HB   LEU  29          1HB       LEU  29   5.285   3.469   2.256
  259    HG   LEU  29           HG       LEU  29   5.357   4.267  -0.228
  260   1HD1  LEU  29          1HD1      LEU  29   3.514   2.559  -0.814
  261   2HD1  LEU  29          2HD1      LEU  29   3.326   4.194  -1.447
  262   3HD1  LEU  29          3HD1      LEU  29   2.400   3.684  -0.036
  263   1HD2  LEU  29          1HD2      LEU  29   4.523   5.436   2.026
  264   2HD2  LEU  29          2HD2      LEU  29   2.967   5.363   1.198
  265   3HD2  LEU  29          3HD2      LEU  29   4.322   6.217   0.457
  266    H    LYS  30           H        LYS  30   6.624   2.254  -1.549
  267    HA   LYS  30           HA       LYS  30   9.328   3.099  -0.603
  268   1HB   LYS  30          2HB       LYS  30   8.145   1.663  -2.888
  269   2HB   LYS  30          1HB       LYS  30   9.421   2.793  -3.337
  270   1HG   LYS  30          2HG       LYS  30  10.837   1.754  -1.502
  271   2HG   LYS  30          1HG       LYS  30   9.602   0.501  -1.369
  272   1HD   LYS  30          2HD       LYS  30  10.779   1.168  -4.056
  273   2HD   LYS  30          1HD       LYS  30  11.653   0.106  -2.952
  274   1HE   LYS  30          2HE       LYS  30  10.374  -1.558  -3.864
  275   2HE   LYS  30          1HE       LYS  30   9.077  -0.914  -2.839
  276   1HZ   LYS  30          1HZ       LYS  30   8.665  -1.045  -5.358
  277   2HZ   LYS  30          2HZ       LYS  30   9.684   0.310  -5.462
  278   3HZ   LYS  30          3HZ       LYS  30   8.248   0.391  -4.557
  279    H    SER  31           H        SER  31  10.401   4.807  -2.009
  280    HA   SER  31           HA       SER  31   8.768   7.222  -2.111
  281   1HB   SER  31          2HB       SER  31  11.425   6.584  -1.785
  282   2HB   SER  31          1HB       SER  31  11.406   7.187  -3.439
  283    HG   SER  31           HG       SER  31  10.452   9.086  -2.687
  284    H    ASP  32           H        ASP  32   9.171   4.660  -4.300
  285    HA   ASP  32           HA       ASP  32   9.051   6.252  -6.777
  286   1HB   ASP  32          2HB       ASP  32  10.318   4.206  -6.767
  287   2HB   ASP  32          1HB       ASP  32   8.988   3.311  -6.040
  288    H    GLY  33           H        GLY  33   6.791   5.411  -4.422
  289   1HA   GLY  33          2HA       GLY  33   4.451   5.830  -4.507
  290   2HA   GLY  33          1HA       GLY  33   4.555   5.931  -6.267
  291    H    SER  34           H        SER  34   5.818   3.312  -4.249
  292    HA   SER  34           HA       SER  34   3.748   1.482  -5.411
  293   1HB   SER  34          2HB       SER  34   5.826  -0.142  -5.404
  294   2HB   SER  34          1HB       SER  34   5.630   1.017  -6.714
  295    HG   SER  34           HG       SER  34   7.378   1.989  -6.065
  296    H    PHE  35           H        PHE  35   3.200  -0.307  -4.068
  297    HA   PHE  35           HA       PHE  35   4.125  -0.094  -1.217
  298   1HB   PHE  35          2HB       PHE  35   1.602   0.286  -2.357
  299   2HB   PHE  35          1HB       PHE  35   1.525  -1.348  -1.700
  300    HD1  PHE  35           1HD      PHE  35   3.183  -1.266   0.677
  301    HD2  PHE  35           2HD      PHE  35   0.519   1.725  -0.875
  302    HE1  PHE  35           1HE      PHE  35   2.900  -0.336   2.955
  303    HE2  PHE  35           2HE      PHE  35   0.236   2.656   1.405
  304    HZ   PHE  35           HZ       PHE  35   1.426   1.627   3.323
  305    H    ILE  36           H        ILE  36   5.007  -1.954  -0.394
  306    HA   ILE  36           HA       ILE  36   4.812  -4.464  -2.022
  307    HB   ILE  36           HB       ILE  36   6.738  -3.588   0.167
  308   1HG1  ILE  36          2HG1      ILE  36   7.063  -2.167  -1.759
  309   2HG1  ILE  36          1HG1      ILE  36   8.348  -3.373  -1.779
  310   1HG2  ILE  36          1HG2      ILE  36   6.762  -5.953   0.114
  311   2HG2  ILE  36          2HG2      ILE  36   8.118  -5.479  -0.908
  312   3HG2  ILE  36          3HG2      ILE  36   6.600  -6.000  -1.641
  313   1HD1  ILE  36          1HD1      ILE  36   5.998  -3.074  -3.598
  314   2HD1  ILE  36          2HD1      ILE  36   6.558  -4.710  -3.249
  315   3HD1  ILE  36          3HD1      ILE  36   7.657  -3.538  -3.974
  316    H    GLY  37           H        GLY  37   3.543  -6.081  -1.178
  317   1HA   GLY  37          2HA       GLY  37   2.840  -5.942   1.728
  318   2HA   GLY  37          1HA       GLY  37   1.797  -6.642   0.489
  319    H    TYR  38           H        TYR  38   4.103  -7.356   2.847
  320    HA   TYR  38           HA       TYR  38   4.897  -9.940   1.568
  321   1HB   TYR  38          2HB       TYR  38   6.192  -7.986   3.137
  322   2HB   TYR  38          1HB       TYR  38   5.998  -9.380   4.198
  323    HD1  TYR  38           1HD      TYR  38   6.706 -11.691   3.277
  324    HD2  TYR  38           2HD      TYR  38   7.891  -7.963   1.496
  325    HE1  TYR  38           1HE      TYR  38   8.586 -12.832   2.135
  326    HE2  TYR  38           2HE      TYR  38   9.771  -9.109   0.354
  327    HH   TYR  38           HH       TYR  38  11.158 -11.284   0.842
  328    H    LYS  39           H        LYS  39   4.258 -11.911   2.484
  329    HA   LYS  39           HA       LYS  39   1.891 -11.976   4.149
  330   1HB   LYS  39          2HB       LYS  39   2.686 -13.619   2.367
  331   2HB   LYS  39          1HB       LYS  39   3.844 -14.213   3.555
  332   1HG   LYS  39          2HG       LYS  39   1.989 -14.737   5.103
  333   2HG   LYS  39          1HG       LYS  39   0.830 -14.154   3.907
  334   1HD   LYS  39          2HD       LYS  39   0.861 -16.497   3.578
  335   2HD   LYS  39          1HD       LYS  39   1.906 -15.870   2.303
  336   1HE   LYS  39          2HE       LYS  39   3.870 -16.249   3.920
  337   2HE   LYS  39          1HE       LYS  39   2.733 -17.198   4.897
  338   1HZ   LYS  39          1HZ       LYS  39   4.000 -18.461   3.121
  339   2HZ   LYS  39          2HZ       LYS  39   3.054 -17.631   1.979
  340   3HZ   LYS  39          3HZ       LYS  39   2.315 -18.653   3.118
  341    H    GLU  40           H        GLU  40   5.355 -12.331   4.804
  342    HA   GLU  40           HA       GLU  40   4.837 -12.104   7.717
  343   1HB   GLU  40          2HB       GLU  40   4.754 -14.530   7.076
  344   2HB   GLU  40          1HB       GLU  40   6.394 -14.386   6.446
  345   1HG   GLU  40          2HG       GLU  40   6.448 -15.308   8.717
  346   2HG   GLU  40          1HG       GLU  40   7.179 -13.705   8.706
  347    H    ARG  41           H        ARG  41   6.878 -11.594   8.887
  348    HA   ARG  41           HA       ARG  41   8.552  -9.693   7.595
  349   1HB   ARG  41          2HB       ARG  41   8.095 -10.698  10.158
  350   2HB   ARG  41          1HB       ARG  41   9.787 -11.092   9.852
  351   1HG   ARG  41          2HG       ARG  41  10.075  -8.680   9.073
  352   2HG   ARG  41          1HG       ARG  41   8.474  -8.368   9.745
  353   1HD   ARG  41          2HD       ARG  41   9.206  -8.541  11.921
  354   2HD   ARG  41          1HD       ARG  41  10.410  -9.783  11.522
  355    HE   ARG  41           HE       ARG  41  10.966  -7.158  10.332
  356   1HH1  ARG  41          1HH2      ARG  41  11.403  -9.251  13.081
  357   2HH1  ARG  41          2HH2      ARG  41  12.860  -8.471  13.590
  358   1HH2  ARG  41          1HH1      ARG  41  12.862  -6.155  11.005
  359   2HH2  ARG  41          2HH1      ARG  41  13.683  -6.722  12.418
  360    HA   PRO  42           HA       PRO  42  11.073 -12.837   5.563
  361   1HB   PRO  42          2HB       PRO  42  11.891 -11.252   3.510
  362   2HB   PRO  42          1HB       PRO  42  10.304 -12.041   3.546
  363   1HG   PRO  42          2HG       PRO  42  11.003  -9.212   3.956
  364   2HG   PRO  42          1HG       PRO  42   9.486  -9.932   3.410
  365   1HD   PRO  42          2HD       PRO  42  10.087  -8.955   5.997
  366   2HD   PRO  42          1HD       PRO  42   8.627  -9.827   5.487
  367    H    GLU  43           H        GLU  43  13.341 -13.138   5.461
  368    HA   GLU  43           HA       GLU  43  15.280 -11.030   5.643
  369   1HB   GLU  43          2HB       GLU  43  13.914 -11.436   8.004
  370   2HB   GLU  43          1HB       GLU  43  15.316 -12.481   8.223
  371   1HG   GLU  43          2HG       GLU  43  15.636  -9.646   7.245
  372   2HG   GLU  43          1HG       GLU  43  15.530 -10.007   8.968
  373    H    ALA  44           H        ALA  44  14.739 -14.322   6.951
  374    HA   ALA  44           HA       ALA  44  15.908 -16.344   6.618
  375   1HB   ALA  44          1HB       ALA  44  17.299 -15.187   4.241
  376   2HB   ALA  44          2HB       ALA  44  15.537 -15.240   4.198
  377   3HB   ALA  44          3HB       ALA  44  16.459 -16.728   4.406
  378    HA   PRO  45           HA       PRO  45  19.929 -15.775   8.311
  379   1HB   PRO  45          2HB       PRO  45  21.240 -18.036   7.488
  380   2HB   PRO  45          1HB       PRO  45  19.988 -18.047   8.745
  381   1HG   PRO  45          2HG       PRO  45  19.800 -18.818   5.880
  382   2HG   PRO  45          1HG       PRO  45  19.027 -19.542   7.298
  383   1HD   PRO  45          2HD       PRO  45  17.747 -17.869   5.550
  384   2HD   PRO  45          1HD       PRO  45  17.275 -18.077   7.251
  385    H    ASP  46           H        ASP  46  20.039 -16.918   4.916
  386    HA   ASP  46           HA       ASP  46  21.838 -14.692   4.188
  387   1HB   ASP  46          2HB       ASP  46  23.069 -16.843   5.134
  388   2HB   ASP  46          1HB       ASP  46  22.741 -17.484   3.524
  389    H    GLN  47           H        GLN  47  19.456 -14.641   3.179
  390    HA   GLN  47           HA       GLN  47  19.706 -15.254   0.354
  391   1HB   GLN  47          2HB       GLN  47  19.244 -17.504   1.069
  392   2HB   GLN  47          1HB       GLN  47  17.982 -16.964   2.174
  393   1HG   GLN  47          2HG       GLN  47  16.916 -17.905   0.209
  394   2HG   GLN  47          1HG       GLN  47  16.671 -16.159   0.182
  395   1HE2  GLN  47          1HE2      GLN  47  16.958 -15.365  -1.906
  396   2HE2  GLN  47          2HE2      GLN  47  18.116 -15.928  -3.014
  397    H    THR  48           H        THR  48  19.027 -13.110   0.008
  398    HA   THR  48           HA       THR  48  16.737 -11.922   1.346
  399    HB   THR  48           HB       THR  48  18.579 -10.584   0.457
  400    HG1  THR  48           1HG      THR  48  16.990  -9.237   0.238
  401   1HG2  THR  48          1HG2      THR  48  18.440 -10.459  -2.235
  402   2HG2  THR  48          2HG2      THR  48  17.986 -12.146  -1.997
  403   3HG2  THR  48          3HG2      THR  48  19.528 -11.552  -1.382
  404    H    LEU  49           H        LEU  49  14.617 -11.651   0.519
  405    HA   LEU  49           HA       LEU  49  13.939 -13.353  -1.861
  406   1HB   LEU  49          2HB       LEU  49  12.631 -12.891   0.819
  407   2HB   LEU  49          1HB       LEU  49  11.702 -13.515  -0.543
  408    HG   LEU  49           HG       LEU  49  14.129 -14.990  -0.467
  409   1HD1  LEU  49          1HD1      LEU  49  14.327 -14.201   1.889
  410   2HD1  LEU  49          2HD1      LEU  49  14.078 -15.943   1.784
  411   3HD1  LEU  49          3HD1      LEU  49  12.738 -14.887   2.227
  412   1HD2  LEU  49          1HD2      LEU  49  11.351 -15.788   0.457
  413   2HD2  LEU  49          2HD2      LEU  49  12.617 -16.872  -0.120
  414   3HD2  LEU  49          3HD2      LEU  49  11.860 -15.729  -1.231
  415    HA   PRO  50           HA       PRO  50  12.136  -9.741  -3.636
  416   1HB   PRO  50          2HB       PRO  50  10.295 -10.922  -5.288
  417   2HB   PRO  50          1HB       PRO  50  12.038 -10.919  -5.626
  418   1HG   PRO  50          2HG       PRO  50  10.337 -13.076  -4.478
  419   2HG   PRO  50          1HG       PRO  50  11.673 -13.188  -5.633
  420   1HD   PRO  50          2HD       PRO  50  11.930 -13.781  -2.990
  421   2HD   PRO  50          1HD       PRO  50  13.268 -13.176  -3.991
  422    HA   PRO  51           HA       PRO  51   8.451  -8.786  -1.432
  423   1HB   PRO  51          2HB       PRO  51   7.022  -7.268  -3.213
  424   2HB   PRO  51          1HB       PRO  51   8.471  -6.680  -2.372
  425   1HG   PRO  51          2HG       PRO  51   8.200  -7.752  -5.143
  426   2HG   PRO  51          1HG       PRO  51   9.137  -6.366  -4.557
  427   1HD   PRO  51          2HD       PRO  51  10.277  -8.752  -5.100
  428   2HD   PRO  51          1HD       PRO  51  10.873  -7.683  -3.811
  429    H    LEU  52           H        LEU  52   6.701 -10.058  -0.971
  430    HA   LEU  52           HA       LEU  52   5.721 -12.115  -2.697
  431   1HB   LEU  52          2HB       LEU  52   5.608 -12.057  -0.209
  432   2HB   LEU  52          1HB       LEU  52   4.417 -10.760  -0.309
  433    HG   LEU  52           HG       LEU  52   3.512 -12.842  -2.022
  434   1HD1  LEU  52          1HD1      LEU  52   3.709 -14.816  -0.875
  435   2HD1  LEU  52          2HD1      LEU  52   3.711 -14.023   0.699
  436   3HD1  LEU  52          3HD1      LEU  52   5.181 -14.053  -0.274
  437   1HD2  LEU  52          1HD2      LEU  52   1.563 -12.713  -0.677
  438   2HD2  LEU  52          2HD2      LEU  52   2.278 -11.106  -0.554
  439   3HD2  LEU  52          3HD2      LEU  52   2.481 -12.265   0.760
  440    H    ASN  53           H        ASN  53   4.162  -9.021  -1.733
  441    HA   ASN  53           HA       ASN  53   2.514  -9.188  -4.239
  442   1HB   ASN  53          2HB       ASN  53   1.805  -9.047  -1.458
  443   2HB   ASN  53          1HB       ASN  53   1.285  -7.556  -2.242
  444   1HD2  ASN  53          1HD2      ASN  53   1.307 -11.084  -3.077
  445   2HD2  ASN  53          2HD2      ASN  53  -0.275 -11.085  -3.691
  446    H    ASN  54           H        ASN  54   2.680  -7.396  -5.563
  447    HA   ASN  54           HA       ASN  54   4.108  -4.996  -4.451
  448   1HB   ASN  54          2HB       ASN  54   5.066  -6.673  -6.289
  449   2HB   ASN  54          1HB       ASN  54   4.073  -5.693  -7.368
  450   1HD2  ASN  54          1HD2      ASN  54   4.443  -3.205  -7.103
  451   2HD2  ASN  54          2HD2      ASN  54   6.037  -2.701  -6.803
  452    H    PHE  55           H        PHE  55   2.927  -3.148  -4.480
  453    HA   PHE  55           HA       PHE  55   0.516  -2.978  -6.268
  454   1HB   PHE  55          2HB       PHE  55   1.210  -1.758  -3.574
  455   2HB   PHE  55          1HB       PHE  55  -0.232  -1.328  -4.492
  456    HD1  PHE  55           1HD      PHE  55   1.360  -3.841  -2.377
  457    HD2  PHE  55           2HD      PHE  55  -1.981  -3.052  -4.961
  458    HE1  PHE  55           1HE      PHE  55   0.180  -5.820  -1.458
  459    HE2  PHE  55           2HE      PHE  55  -3.159  -5.032  -4.042
  460    HZ   PHE  55           HZ       PHE  55  -2.077  -6.417  -2.292
  461    H    SER  56           H        SER  56   0.399  -1.191  -7.656
  462    HA   SER  56           HA       SER  56   2.634   0.816  -7.476
  463   1HB   SER  56          2HB       SER  56   1.143  -0.136  -9.942
  464   2HB   SER  56          1HB       SER  56   2.605   0.844  -9.901
  465    HG   SER  56           HG       SER  56   3.762  -0.892  -9.500
  466    H    VAL  57           H        VAL  57   1.846   2.832  -6.951
  467    HA   VAL  57           HA       VAL  57  -1.026   3.404  -7.497
  468    HB   VAL  57           HB       VAL  57   0.366   3.651  -5.234
  469   1HG1  VAL  57          1HG1      VAL  57   0.759   6.339  -6.583
  470   2HG1  VAL  57          2HG1      VAL  57   2.037   5.217  -6.122
  471   3HG1  VAL  57          3HG1      VAL  57   1.064   5.999  -4.881
  472   1HG2  VAL  57          1HG2      VAL  57  -1.711   5.595  -6.270
  473   2HG2  VAL  57          2HG2      VAL  57  -1.248   5.465  -4.574
  474   3HG2  VAL  57          3HG2      VAL  57  -2.003   4.095  -5.389
  475    H    ALA  58           H        ALA  58   2.212   4.872  -8.017
  476    HA   ALA  58           HA       ALA  58   2.832   6.718  -9.396
  477   1HB   ALA  58          1HB       ALA  58   2.393   6.045 -11.744
  478   2HB   ALA  58          2HB       ALA  58   1.176   4.900 -11.179
  479   3HB   ALA  58          3HB       ALA  58   2.873   4.664 -10.759
  480    H    GLU  59           H        GLU  59   1.077   8.035  -8.045
  481    HA   GLU  59           HA       GLU  59  -0.450   9.832  -8.125
  482   1HB   GLU  59          2HB       GLU  59   0.861   9.953 -10.441
  483   2HB   GLU  59          1HB       GLU  59  -0.710   9.488 -11.094
  484   1HG   GLU  59          2HG       GLU  59  -0.381  11.789  -9.158
  485   2HG   GLU  59          1HG       GLU  59  -0.278  12.001 -10.905
  486    H    CYS  60           H        CYS  60  -2.273   8.970  -7.142
  487    HA   CYS  60           HA       CYS  60  -4.465   8.043  -8.898
  488   1HB   CYS  60          2HB       CYS  60  -2.916   6.095  -8.249
  489   2HB   CYS  60          1HB       CYS  60  -3.503   6.319  -6.602
  490    H    GLN  61           H        GLN  61  -6.499   7.672  -7.486
  491    HA   GLN  61           HA       GLN  61  -6.616   9.811  -5.429
  492   1HB   GLN  61          2HB       GLN  61  -8.222   9.619  -7.356
  493   2HB   GLN  61          1HB       GLN  61  -8.788   8.096  -6.674
  494   1HG   GLN  61          2HG       GLN  61  -8.759  10.157  -4.639
  495   2HG   GLN  61          1HG       GLN  61  -9.707  10.679  -6.032
  496   1HE2  GLN  61          1HE2      GLN  61  -9.678   8.547  -3.283
  497   2HE2  GLN  61          2HE2      GLN  61 -11.156   7.778  -3.606
  498    H    LEU  62           H        LEU  62  -6.702   9.331  -3.272
  499    HA   LEU  62           HA       LEU  62  -7.429   6.539  -2.437
  500   1HB   LEU  62          2HB       LEU  62  -4.956   7.033  -2.486
  501   2HB   LEU  62          1HB       LEU  62  -5.236   8.303  -1.297
  502    HG   LEU  62           HG       LEU  62  -6.481   5.791  -0.493
  503   1HD1  LEU  62          1HD1      LEU  62  -3.553   5.831  -1.209
  504   2HD1  LEU  62          2HD1      LEU  62  -4.753   4.586  -1.549
  505   3HD1  LEU  62          3HD1      LEU  62  -4.151   4.804   0.094
  506   1HD2  LEU  62          1HD2      LEU  62  -5.687   8.016   0.759
  507   2HD2  LEU  62          2HD2      LEU  62  -4.203   7.083   0.955
  508   3HD2  LEU  62          3HD2      LEU  62  -5.726   6.461   1.590
  509    H    MET  63           H        MET  63  -8.562   6.415  -0.440
  510    HA   MET  63           HA       MET  63  -9.103   8.932   1.050
  511   1HB   MET  63          2HB       MET  63 -11.504   8.721   0.723
  512   2HB   MET  63          1HB       MET  63 -10.729   8.712  -0.859
  513   1HG   MET  63          2HG       MET  63 -10.800   6.203  -0.821
  514   2HG   MET  63          1HG       MET  63 -11.715   6.294   0.684
  515   1HE   MET  63          1HE       MET  63 -14.931   5.664  -0.775
  516   2HE   MET  63          2HE       MET  63 -14.419   6.510   0.682
  517   3HE   MET  63          3HE       MET  63 -13.517   5.103   0.128
  518    H    LYS  64           H        LYS  64  -9.862   8.537   3.198
  519    HA   LYS  64           HA       LYS  64  -9.325   5.805   4.208
  520   1HB   LYS  64          2HB       LYS  64  -9.303   6.907   6.367
  521   2HB   LYS  64          1HB       LYS  64  -8.424   7.933   5.235
  522   1HG   LYS  64          2HG       LYS  64 -10.825   9.021   4.883
  523   2HG   LYS  64          1HG       LYS  64 -11.111   8.357   6.491
  524   1HD   LYS  64          2HD       LYS  64 -10.212  10.384   7.111
  525   2HD   LYS  64          1HD       LYS  64  -8.714   9.467   6.947
  526   1HE   LYS  64          2HE       LYS  64  -8.329  10.344   4.725
  527   2HE   LYS  64          1HE       LYS  64  -9.936  11.095   4.690
  528   1HZ   LYS  64          1HZ       LYS  64  -8.021  12.584   5.377
  529   2HZ   LYS  64          2HZ       LYS  64  -7.961  11.691   6.820
  530   3HZ   LYS  64          3HZ       LYS  64  -9.364  12.562   6.412
  531    H    THR  65           H        THR  65 -10.914   4.621   5.461
  532    HA   THR  65           HA       THR  65 -13.698   5.632   5.507
  533    HB   THR  65           HB       THR  65 -13.296   4.663   3.247
  534    HG1  THR  65           1HG      THR  65 -15.133   3.449   3.274
  535   1HG2  THR  65          1HG2      THR  65 -12.272   2.674   2.924
  536   2HG2  THR  65          2HG2      THR  65 -13.229   1.885   4.176
  537   3HG2  THR  65          3HG2      THR  65 -11.780   2.788   4.612
  538    H    GLU  66           H        GLU  66 -15.150   3.730   6.422
  539    HA   GLU  66           HA       GLU  66 -13.625   2.325   8.598
  540   1HB   GLU  66          2HB       GLU  66 -16.427   3.483   8.699
  541   2HB   GLU  66          1HB       GLU  66 -15.488   2.868  10.056
  542   1HG   GLU  66          2HG       GLU  66 -13.757   4.657   9.507
  543   2HG   GLU  66          1HG       GLU  66 -14.955   5.352   8.415
  544    H    ARG  67           H        ARG  67 -14.705   1.440   5.841
  545    HA   ARG  67           HA       ARG  67 -16.141  -0.980   6.843
  546   1HB   ARG  67          2HB       ARG  67 -16.951   1.011   4.726
  547   2HB   ARG  67          1HB       ARG  67 -17.532  -0.652   4.653
  548   1HG   ARG  67          2HG       ARG  67 -18.817  -0.439   6.561
  549   2HG   ARG  67          1HG       ARG  67 -17.763   0.788   7.263
  550   1HD   ARG  67          2HD       ARG  67 -19.154   1.558   4.742
  551   2HD   ARG  67          1HD       ARG  67 -20.167   1.408   6.190
  552    HE   ARG  67           HE       ARG  67 -18.028   3.382   5.782
  553   1HH1  ARG  67          1HH2      ARG  67 -19.982   1.634   8.075
  554   2HH1  ARG  67          2HH2      ARG  67 -19.823   2.838   9.306
  555   1HH2  ARG  67          1HH1      ARG  67 -17.830   4.942   7.398
  556   2HH2  ARG  67          2HH1      ARG  67 -18.601   4.702   8.927
  557    HA   PRO  68           HA       PRO  68 -16.919  -2.796   5.920
  558   1HB   PRO  68          2HB       PRO  68 -15.853  -5.281   6.335
  559   2HB   PRO  68          1HB       PRO  68 -16.640  -4.800   4.819
  560   1HG   PRO  68          2HG       PRO  68 -13.744  -4.978   5.473
  561   2HG   PRO  68          1HG       PRO  68 -14.592  -5.408   3.980
  562   1HD   PRO  68          2HD       PRO  68 -13.177  -3.103   4.290
  563   2HD   PRO  68          1HD       PRO  68 -14.562  -3.262   3.190
  564    H    ARG  69           H        ARG  69 -13.586  -2.462   6.917
  565    HA   ARG  69           HA       ARG  69 -14.409  -2.865   9.780
  566   1HB   ARG  69          2HB       ARG  69 -11.735  -3.248   8.394
  567   2HB   ARG  69          1HB       ARG  69 -12.003  -3.454  10.121
  568   1HG   ARG  69          2HG       ARG  69 -13.669  -4.977   8.124
  569   2HG   ARG  69          1HG       ARG  69 -12.078  -5.567   8.601
  570   1HD   ARG  69          2HD       ARG  69 -14.317  -4.904  10.552
  571   2HD   ARG  69          1HD       ARG  69 -13.889  -6.542  10.023
  572    HE   ARG  69           HE       ARG  69 -12.320  -4.856  11.844
  573   1HH1  ARG  69          1HH2      ARG  69 -12.306  -7.526   9.607
  574   2HH1  ARG  69          2HH2      ARG  69 -10.890  -8.242  10.292
  575   1HH2  ARG  69          1HH1      ARG  69 -10.474  -5.798  12.719
  576   2HH2  ARG  69          2HH1      ARG  69  -9.853  -7.268  12.048
  577    HA   PRO  70           HA       PRO  70 -13.291   1.311  10.560
  578   1HB   PRO  70          2HB       PRO  70 -12.045   1.158  12.998
  579   2HB   PRO  70          1HB       PRO  70 -13.799   0.982  12.788
  580   1HG   PRO  70          2HG       PRO  70 -11.713  -1.122  13.118
  581   2HG   PRO  70          1HG       PRO  70 -13.337  -1.026  13.818
  582   1HD   PRO  70          2HD       PRO  70 -12.755  -2.591  11.687
  583   2HD   PRO  70          1HD       PRO  70 -14.349  -1.840  11.921
  584    H    ASN  71           H        ASN  71 -11.479   2.792  10.568
  585    HA   ASN  71           HA       ASN  71  -9.323   3.494   9.936
  586   1HB   ASN  71          2HB       ASN  71  -8.704   0.919  11.427
  587   2HB   ASN  71          1HB       ASN  71  -7.499   2.130  10.997
  588   1HD2  ASN  71          1HD2      ASN  71  -9.892   1.288  13.346
  589   2HD2  ASN  71          2HD2      ASN  71  -9.836   2.732  14.236
  590    H    THR  72           H        THR  72 -10.410   2.698   7.732
  591    HA   THR  72           HA       THR  72  -8.595   0.646   6.503
  592    HB   THR  72           HB       THR  72 -11.531   1.289   6.140
  593    HG1  THR  72           1HG      THR  72  -9.990  -0.826   7.135
  594   1HG2  THR  72          1HG2      THR  72 -11.389  -0.637   4.426
  595   2HG2  THR  72          2HG2      THR  72  -9.663  -0.283   4.369
  596   3HG2  THR  72          3HG2      THR  72 -10.832   0.953   3.908
  597    H    PHE  73           H        PHE  73  -8.004   1.028   4.282
  598    HA   PHE  73           HA       PHE  73  -8.261   3.887   3.392
  599   1HB   PHE  73          2HB       PHE  73  -6.020   2.091   3.888
  600   2HB   PHE  73          1HB       PHE  73  -5.990   2.698   2.234
  601    HD1  PHE  73           1HD      PHE  73  -4.074   4.138   2.479
  602    HD2  PHE  73           2HD      PHE  73  -7.462   4.567   5.087
  603    HE1  PHE  73           1HE      PHE  73  -3.177   6.299   3.294
  604    HE2  PHE  73           2HE      PHE  73  -6.564   6.729   5.895
  605    HZ   PHE  73           HZ       PHE  73  -4.421   7.591   5.001
  606    H    VAL  74           H        VAL  74  -9.206   4.125   1.394
  607    HA   VAL  74           HA       VAL  74  -9.347   1.720  -0.398
  608    HB   VAL  74           HB       VAL  74 -11.332   3.810   0.459
  609   1HG1  VAL  74          1HG1      VAL  74 -11.092   2.601  -2.253
  610   2HG1  VAL  74          2HG1      VAL  74 -11.769   4.156  -1.773
  611   3HG1  VAL  74          3HG1      VAL  74 -12.706   2.679  -1.549
  612   1HG2  VAL  74          1HG2      VAL  74 -11.534   1.733   1.594
  613   2HG2  VAL  74          2HG2      VAL  74 -11.275   0.807   0.117
  614   3HG2  VAL  74          3HG2      VAL  74 -12.787   1.683   0.354
  615    H    ILE  75           H        ILE  75  -8.629   2.038  -2.481
  616    HA   ILE  75           HA       ILE  75  -7.993   4.849  -3.321
  617    HB   ILE  75           HB       ILE  75  -5.993   3.557  -2.751
  618   1HG1  ILE  75          2HG1      ILE  75  -5.462   3.263  -5.537
  619   2HG1  ILE  75          1HG1      ILE  75  -6.539   4.647  -5.349
  620   1HG2  ILE  75          1HG2      ILE  75  -7.024   1.532  -4.761
  621   2HG2  ILE  75          2HG2      ILE  75  -6.898   1.294  -3.019
  622   3HG2  ILE  75          3HG2      ILE  75  -5.439   1.480  -3.990
  623   1HD1  ILE  75          1HD1      ILE  75  -4.149   4.318  -3.547
  624   2HD1  ILE  75          2HD1      ILE  75  -5.034   5.788  -3.951
  625   3HD1  ILE  75          3HD1      ILE  75  -3.974   5.041  -5.145
  626    H    ARG  76           H        ARG  76  -8.842   5.457  -5.295
  627    HA   ARG  76           HA       ARG  76  -9.886   3.312  -7.112
  628   1HB   ARG  76          2HB       ARG  76 -11.313   5.828  -6.184
  629   2HB   ARG  76          1HB       ARG  76 -11.953   4.664  -7.342
  630   1HG   ARG  76          2HG       ARG  76 -11.140   3.907  -4.524
  631   2HG   ARG  76          1HG       ARG  76 -12.782   4.379  -4.959
  632   1HD   ARG  76          2HD       ARG  76 -13.064   2.494  -6.390
  633   2HD   ARG  76          1HD       ARG  76 -11.325   2.142  -6.399
  634    HE   ARG  76           HE       ARG  76 -11.703   1.892  -3.804
  635   1HH1  ARG  76          1HH2      ARG  76 -13.867   0.909  -6.345
  636   2HH1  ARG  76          2HH2      ARG  76 -14.682  -0.248  -5.357
  637   1HH2  ARG  76          1HH1      ARG  76 -12.768   0.387  -2.535
  638   2HH2  ARG  76          2HH1      ARG  76 -14.070  -0.540  -3.203
  639    H    CYS  77           H        CYS  77  -8.612   3.618  -8.908
  640    HA   CYS  77           HA       CYS  77  -7.937   6.381  -9.796
  641   1HB   CYS  77          2HB       CYS  77  -6.769   3.720  -9.910
  642   2HB   CYS  77          1HB       CYS  77  -6.835   4.439 -11.519
  643    H    LEU  78           H        LEU  78  -9.539   3.410 -10.971
  644    HA   LEU  78           HA       LEU  78 -10.611   4.935 -13.313
  645   1HB   LEU  78          2HB       LEU  78 -10.396   1.971 -12.679
  646   2HB   LEU  78          1HB       LEU  78 -11.073   2.625 -14.168
  647    HG   LEU  78           HG       LEU  78  -8.277   3.310 -13.243
  648   1HD1  LEU  78          1HD1      LEU  78  -9.098   1.107 -15.162
  649   2HD1  LEU  78          2HD1      LEU  78  -8.524   0.838 -13.516
  650   3HD1  LEU  78          3HD1      LEU  78  -7.450   1.550 -14.719
  651   1HD2  LEU  78          1HD2      LEU  78  -7.980   3.909 -15.598
  652   2HD2  LEU  78          2HD2      LEU  78  -9.386   4.756 -14.953
  653   3HD2  LEU  78          3HD2      LEU  78  -9.605   3.334 -15.974
  654    H    GLN  79           H        GLN  79 -12.916   4.755 -13.761
  655    HA   GLN  79           HA       GLN  79 -14.560   4.382 -11.303
  656   1HB   GLN  79          2HB       GLN  79 -14.428   6.297 -13.314
  657   2HB   GLN  79          1HB       GLN  79 -15.852   5.356 -13.754
  658   1HG   GLN  79          2HG       GLN  79 -16.777   5.662 -11.498
  659   2HG   GLN  79          1HG       GLN  79 -15.338   6.561 -11.017
  660   1HE2  GLN  79          1HE2      GLN  79 -18.320   6.743 -12.912
  661   2HE2  GLN  79          2HE2      GLN  79 -18.218   8.404 -13.243
  662    H    TRP  80           H        TRP  80 -13.525   2.064 -12.943
  663    HA   TRP  80           HA       TRP  80 -16.084   0.630 -13.206
  664   1HB   TRP  80          2HB       TRP  80 -15.811   1.847 -15.355
  665   2HB   TRP  80          1HB       TRP  80 -14.232   1.091 -15.573
  666    HD1  TRP  80           HD       TRP  80 -14.266  -1.012 -16.985
  667    HE1  TRP  80           1HE      TRP  80 -16.013  -2.805 -17.599
  668    HE3  TRP  80           3HE      TRP  80 -18.222   0.621 -14.200
  669    HZ2  TRP  80           2HZ      TRP  80 -18.732  -3.459 -16.990
  670    HZ3  TRP  80           3HZ      TRP  80 -20.377  -0.603 -14.235
  671    HH2  TRP  80           HH       TRP  80 -20.636  -2.640 -15.625
  672    H    THR  81           H        THR  81 -12.676   0.331 -14.332
  673    HA   THR  81           HA       THR  81 -12.613  -2.460 -13.290
  674    HB   THR  81           HB       THR  81 -10.578  -0.904 -14.924
  675    HG1  THR  81           1HG      THR  81 -12.763  -2.526 -15.733
  676   1HG2  THR  81          1HG2      THR  81  -9.692  -2.938 -13.904
  677   2HG2  THR  81          2HG2      THR  81  -9.894  -3.189 -15.638
  678   3HG2  THR  81          3HG2      THR  81 -11.064  -3.868 -14.507
  679    H    THR  82           H        THR  82 -11.734  -2.794 -11.285
  680    HA   THR  82           HA       THR  82  -9.884  -0.719 -10.169
  681    HB   THR  82           HB       THR  82 -12.010  -1.165  -8.977
  682    HG1  THR  82           1HG      THR  82  -9.675  -2.104  -7.667
  683   1HG2  THR  82          1HG2      THR  82 -11.043  -3.977  -9.210
  684   2HG2  THR  82          2HG2      THR  82 -12.685  -3.341  -9.293
  685   3HG2  THR  82          3HG2      THR  82 -11.891  -3.531  -7.730
  686    H    VAL  83           H        VAL  83  -8.665  -2.445 -11.970
  687    HA   VAL  83           HA       VAL  83  -7.567  -4.815 -10.692
  688    HB   VAL  83           HB       VAL  83  -7.867  -4.405 -13.164
  689   1HG1  VAL  83          1HG1      VAL  83  -5.331  -2.778 -13.015
  690   2HG1  VAL  83          2HG1      VAL  83  -6.913  -2.003 -12.930
  691   3HG1  VAL  83          3HG1      VAL  83  -6.463  -2.933 -14.358
  692   1HG2  VAL  83          1HG2      VAL  83  -6.023  -5.722 -13.749
  693   2HG2  VAL  83          2HG2      VAL  83  -6.155  -6.025 -12.016
  694   3HG2  VAL  83          3HG2      VAL  83  -4.949  -4.891 -12.625
  695    H    ILE  84           H        ILE  84  -5.744  -4.979  -9.447
  696    HA   ILE  84           HA       ILE  84  -3.803  -4.390  -8.256
  697    HB   ILE  84           HB       ILE  84  -3.667  -2.215 -10.374
  698   1HG1  ILE  84          2HG1      ILE  84  -2.000  -4.687 -10.482
  699   2HG1  ILE  84          1HG1      ILE  84  -3.705  -4.863 -10.896
  700   1HG2  ILE  84          1HG2      ILE  84  -2.135  -1.623  -8.670
  701   2HG2  ILE  84          2HG2      ILE  84  -1.159  -2.501  -9.848
  702   3HG2  ILE  84          3HG2      ILE  84  -1.691  -3.303  -8.369
  703   1HD1  ILE  84          1HD1      ILE  84  -2.602  -4.352 -12.948
  704   2HD1  ILE  84          2HD1      ILE  84  -1.654  -3.066 -12.201
  705   3HD1  ILE  84          3HD1      ILE  84  -3.387  -2.854 -12.450
  706    H    GLU  85           H        GLU  85  -4.223  -3.606  -6.256
  707    HA   GLU  85           HA       GLU  85  -4.592  -2.072  -4.515
  708   1HB   GLU  85          2HB       GLU  85  -3.507  -0.626  -6.725
  709   2HB   GLU  85          1HB       GLU  85  -4.751   0.380  -5.984
  710   1HG   GLU  85          2HG       GLU  85  -3.671  -0.174  -3.737
  711   2HG   GLU  85          1HG       GLU  85  -2.323  -0.844  -4.657
  712    H    ARG  86           H        ARG  86  -6.485  -1.680  -3.509
  713    HA   ARG  86           HA       ARG  86  -8.737  -0.333  -4.833
  714   1HB   ARG  86          2HB       ARG  86  -8.839  -2.724  -5.593
  715   2HB   ARG  86          1HB       ARG  86  -8.955  -3.222  -3.905
  716   1HG   ARG  86          2HG       ARG  86 -10.963  -1.513  -3.850
  717   2HG   ARG  86          1HG       ARG  86 -10.967  -1.773  -5.594
  718   1HD   ARG  86          2HD       ARG  86 -11.652  -3.972  -5.402
  719   2HD   ARG  86          1HD       ARG  86 -10.813  -4.198  -3.854
  720    HE   ARG  86           HE       ARG  86 -13.063  -2.290  -3.828
  721   1HH1  ARG  86          1HH2      ARG  86 -11.904  -5.511  -3.211
  722   2HH1  ARG  86          2HH2      ARG  86 -13.175  -5.882  -2.100
  723   1HH2  ARG  86          1HH1      ARG  86 -14.715  -2.784  -2.378
  724   2HH2  ARG  86          2HH1      ARG  86 -14.765  -4.346  -1.632
  725    H    THR  87           H        THR  87  -8.335  -2.636  -2.101
  726    HA   THR  87           HA       THR  87  -8.934  -0.411  -0.198
  727    HB   THR  87           HB       THR  87 -11.027  -1.594  -0.763
  728    HG1  THR  87           1HG      THR  87 -11.613  -1.952   1.328
  729   1HG2  THR  87          1HG2      THR  87 -10.020  -3.760  -1.404
  730   2HG2  THR  87          2HG2      THR  87 -11.286  -3.976  -0.195
  731   3HG2  THR  87          3HG2      THR  87  -9.591  -4.053   0.281
  732    H    PHE  88           H        PHE  88  -7.817  -0.590   1.744
  733    HA   PHE  88           HA       PHE  88  -6.474  -3.142   2.438
  734   1HB   PHE  88          2HB       PHE  88  -4.445  -2.446   1.724
  735   2HB   PHE  88          1HB       PHE  88  -5.233  -1.058   0.990
  736    HD1  PHE  88           1HD      PHE  88  -4.503   1.061   1.612
  737    HD2  PHE  88           2HD      PHE  88  -4.023  -2.204   4.360
  738    HE1  PHE  88           1HE      PHE  88  -3.295   2.553   3.178
  739    HE2  PHE  88           2HE      PHE  88  -2.825  -0.707   5.926
  740    HZ   PHE  88           HZ       PHE  88  -2.456   1.672   5.335
  741    H    HIS  89           H        HIS  89  -6.378  -3.401   4.665
  742    HA   HIS  89           HA       HIS  89  -7.476  -1.183   6.339
  743   1HB   HIS  89          2HB       HIS  89  -7.183  -4.183   6.648
  744   2HB   HIS  89          1HB       HIS  89  -7.753  -3.146   7.954
  745    HD1  HIS  89           1HD      HIS  89 -10.030  -4.566   7.691
  746    HD2  HIS  89           2HD      HIS  89  -9.100  -2.051   4.503
  747    HE1  HIS  89           1HE      HIS  89 -12.158  -4.294   6.351
  748    H    VAL  90           H        VAL  90  -6.406  -0.596   8.331
  749    HA   VAL  90           HA       VAL  90  -3.492  -1.306   8.395
  750    HB   VAL  90           HB       VAL  90  -3.264   0.834   9.634
  751   1HG1  VAL  90          1HG1      VAL  90  -4.084   2.337   7.736
  752   2HG1  VAL  90          2HG1      VAL  90  -4.730   0.874   6.994
  753   3HG1  VAL  90          3HG1      VAL  90  -2.997   1.027   7.281
  754   1HG2  VAL  90          1HG2      VAL  90  -6.007   1.726   8.999
  755   2HG2  VAL  90          2HG2      VAL  90  -5.029   2.027  10.433
  756   3HG2  VAL  90          3HG2      VAL  90  -5.914   0.511  10.273
  757    H    ASP  91           H        ASP  91  -2.534  -1.691  10.524
  758    HA   ASP  91           HA       ASP  91  -4.303  -3.218  12.301
  759   1HB   ASP  91          2HB       ASP  91  -1.596  -3.201  11.560
  760   2HB   ASP  91          1HB       ASP  91  -1.594  -2.718  13.255
  761    H    SER  92           H        SER  92  -3.092   0.046  12.183
  762    HA   SER  92           HA       SER  92  -4.204   0.527  14.922
  763   1HB   SER  92          2HB       SER  92  -1.510   1.184  13.752
  764   2HB   SER  92          1HB       SER  92  -2.181   2.194  15.029
  765    HG   SER  92           HG       SER  92  -1.523  -0.552  15.069
  766    HA   PRO  93           HA       PRO  93  -6.240   3.902  12.927
  767   1HB   PRO  93          2HB       PRO  93  -6.558   5.584  15.072
  768   2HB   PRO  93          1HB       PRO  93  -7.538   4.123  14.832
  769   1HG   PRO  93          2HG       PRO  93  -5.165   4.540  16.590
  770   2HG   PRO  93          1HG       PRO  93  -6.665   3.653  16.910
  771   1HD   PRO  93          2HD       PRO  93  -4.351   2.414  16.248
  772   2HD   PRO  93          1HD       PRO  93  -5.948   1.769  15.800
  773    H    ASP  94           H        ASP  94  -3.536   4.691  15.128
  774    HA   ASP  94           HA       ASP  94  -2.919   7.270  14.015
  775   1HB   ASP  94          2HB       ASP  94  -1.772   5.272  15.854
  776   2HB   ASP  94          1HB       ASP  94  -0.551   6.212  14.995
  777    H    GLU  95           H        GLU  95  -2.049   3.954  13.110
  778    HA   GLU  95           HA       GLU  95   0.072   4.571  11.266
  779   1HB   GLU  95          2HB       GLU  95  -1.197   2.329  12.316
  780   2HB   GLU  95          1HB       GLU  95  -1.628   2.271  10.606
  781   1HG   GLU  95          2HG       GLU  95   0.693   2.351   9.946
  782   2HG   GLU  95          1HG       GLU  95   1.206   2.661  11.605
  783    H    ARG  96           H        ARG  96  -3.461   4.204  10.846
  784    HA   ARG  96           HA       ARG  96  -3.671   4.408   8.039
  785   1HB   ARG  96          2HB       ARG  96  -5.447   3.985   9.817
  786   2HB   ARG  96          1HB       ARG  96  -5.471   5.728  10.095
  787   1HG   ARG  96          2HG       ARG  96  -6.222   6.171   7.872
  788   2HG   ARG  96          1HG       ARG  96  -5.881   4.522   7.353
  789   1HD   ARG  96          2HD       ARG  96  -8.348   5.007   7.798
  790   2HD   ARG  96          1HD       ARG  96  -7.686   3.645   8.718
  791    HE   ARG  96           HE       ARG  96  -7.976   4.911  10.686
  792   1HH1  ARG  96          1HH2      ARG  96  -7.944   6.987   7.895
  793   2HH1  ARG  96          2HH2      ARG  96  -8.269   8.418   8.808
  794   1HH2  ARG  96          1HH1      ARG  96  -8.405   6.784  11.865
  795   2HH2  ARG  96          2HH1      ARG  96  -8.527   8.307  11.048
  796    H    GLU  97           H        GLU  97  -3.487   7.035  10.459
  797    HA   GLU  97           HA       GLU  97  -3.655   9.207   8.565
  798   1HB   GLU  97          2HB       GLU  97  -3.309   8.749  11.399
  799   2HB   GLU  97          1HB       GLU  97  -2.161   9.972  10.858
  800   1HG   GLU  97          2HG       GLU  97  -4.064  11.251  11.348
  801   2HG   GLU  97          1HG       GLU  97  -4.214  10.997   9.610
  802    H    GLU  98           H        GLU  98  -0.911   7.418   9.990
  803    HA   GLU  98           HA       GLU  98   1.185   9.047   8.888
  804   1HB   GLU  98          2HB       GLU  98   1.362   7.385  10.758
  805   2HB   GLU  98          1HB       GLU  98   1.165   6.089   9.578
  806   1HG   GLU  98          2HG       GLU  98   3.532   6.357   9.965
  807   2HG   GLU  98          1HG       GLU  98   3.183   7.002   8.363
  808    H    TRP  99           H        TRP  99  -0.543   6.173   7.644
  809    HA   TRP  99           HA       TRP  99   1.062   5.700   5.325
  810   1HB   TRP  99          2HB       TRP  99  -1.895   5.313   5.902
  811   2HB   TRP  99          1HB       TRP  99  -1.089   4.651   4.483
  812    HD1  TRP  99           HD       TRP  99  -2.250   3.443   7.553
  813    HE1  TRP  99           1HE      TRP  99  -0.842   1.515   8.509
  814    HE3  TRP  99           3HE      TRP  99   2.001   3.997   4.776
  815    HZ2  TRP  99           2HZ      TRP  99   1.741   0.355   8.146
  816    HZ3  TRP  99           3HZ      TRP  99   3.920   2.460   5.111
  817    HH2  TRP  99           HH       TRP  99   3.791   0.648   6.787
  818    H    MET 100           H        MET 100  -1.853   7.729   5.775
  819    HA   MET 100           HA       MET 100  -2.096   8.706   3.109
  820   1HB   MET 100          2HB       MET 100  -3.380   8.987   5.544
  821   2HB   MET 100          1HB       MET 100  -2.727  10.602   5.272
  822   1HG   MET 100          2HG       MET 100  -3.767  10.660   3.041
  823   2HG   MET 100          1HG       MET 100  -4.409   9.037   3.291
  824   1HE   MET 100          1HE       MET 100  -5.742  12.992   5.136
  825   2HE   MET 100          2HE       MET 100  -4.965  12.725   3.578
  826   3HE   MET 100          3HE       MET 100  -4.054  12.468   5.064
  827    H    ARG 101           H        ARG 101  -0.245   9.994   5.891
  828    HA   ARG 101           HA       ARG 101   0.708  12.396   4.698
  829   1HB   ARG 101          2HB       ARG 101   1.996  10.505   6.698
  830   2HB   ARG 101          1HB       ARG 101   2.483  12.179   6.437
  831   1HG   ARG 101          2HG       ARG 101  -0.391  11.962   6.867
  832   2HG   ARG 101          1HG       ARG 101   0.516  11.282   8.217
  833   1HD   ARG 101          2HD       ARG 101   1.610  13.842   7.233
  834   2HD   ARG 101          1HD       ARG 101  -0.021  13.964   7.919
  835    HE   ARG 101           HE       ARG 101   2.401  13.256   9.393
  836   1HH1  ARG 101          1HH2      ARG 101  -1.064  12.936   9.212
  837   2HH1  ARG 101          2HH2      ARG 101  -1.237  12.598  10.898
  838   1HH2  ARG 101          1HH1      ARG 101   2.157  12.809  11.589
  839   2HH2  ARG 101          2HH1      ARG 101   0.577  12.524  12.239
  840    H    ALA 102           H        ALA 102   2.163   9.121   4.729
  841    HA   ALA 102           HA       ALA 102   4.527   9.776   3.238
  842   1HB   ALA 102          1HB       ALA 102   4.207   7.737   4.582
  843   2HB   ALA 102          2HB       ALA 102   4.598   7.311   2.916
  844   3HB   ALA 102          3HB       ALA 102   2.932   7.203   3.485
  845    H    ILE 103           H        ILE 103   1.333   8.536   2.191
  846    HA   ILE 103           HA       ILE 103   1.900   8.243  -0.591
  847    HB   ILE 103           HB       ILE 103  -0.636   8.940   0.936
  848   1HG1  ILE 103          2HG1      ILE 103   0.092   6.277  -0.277
  849   2HG1  ILE 103          1HG1      ILE 103   0.715   6.730   1.309
  850   1HG2  ILE 103          1HG2      ILE 103  -0.319   7.918  -1.907
  851   2HG2  ILE 103          2HG2      ILE 103  -0.855   9.537  -1.457
  852   3HG2  ILE 103          3HG2      ILE 103  -1.849   8.138  -1.057
  853   1HD1  ILE 103          1HD1      ILE 103  -1.240   5.808   2.044
  854   2HD1  ILE 103          2HD1      ILE 103  -2.048   6.033   0.492
  855   3HD1  ILE 103          3HD1      ILE 103  -1.905   7.384   1.617
  856    H    GLN 104           H        GLN 104   0.815  11.080   1.285
  857    HA   GLN 104           HA       GLN 104   0.401  12.844  -0.957
  858   1HB   GLN 104          2HB       GLN 104   0.021  12.866   1.783
  859   2HB   GLN 104          1HB       GLN 104   1.321  14.038   1.575
  860   1HG   GLN 104          2HG       GLN 104  -1.213  14.088  -0.082
  861   2HG   GLN 104          1HG       GLN 104  -1.034  14.991   1.422
  862   1HE2  GLN 104          1HE2      GLN 104  -0.520  15.177  -1.942
  863   2HE2  GLN 104          2HE2      GLN 104   0.527  16.512  -1.950
  864    H    MET 105           H        MET 105   3.228  12.252   1.161
  865    HA   MET 105           HA       MET 105   4.950  14.261   0.072
  866   1HB   MET 105          2HB       MET 105   5.061  11.939   1.830
  867   2HB   MET 105          1HB       MET 105   6.522  12.059   0.849
  868   1HG   MET 105          2HG       MET 105   6.961  13.373   2.788
  869   2HG   MET 105          1HG       MET 105   6.586  14.534   1.514
  870   1HE   MET 105          1HE       MET 105   4.978  16.447   4.352
  871   2HE   MET 105          2HE       MET 105   5.900  16.514   2.853
  872   3HE   MET 105          3HE       MET 105   6.545  15.634   4.237
  873    H    VAL 106           H        VAL 106   4.339  10.887  -0.913
  874    HA   VAL 106           HA       VAL 106   6.372  10.750  -2.951
  875    HB   VAL 106           HB       VAL 106   3.743   9.309  -2.460
  876   1HG1  VAL 106          1HG1      VAL 106   4.000   8.838  -4.718
  877   2HG1  VAL 106          2HG1      VAL 106   5.019   7.576  -4.025
  878   3HG1  VAL 106          3HG1      VAL 106   5.751   9.044  -4.670
  879   1HG2  VAL 106          1HG2      VAL 106   5.482   8.930  -0.774
  880   2HG2  VAL 106          2HG2      VAL 106   6.656   8.556  -2.036
  881   3HG2  VAL 106          3HG2      VAL 106   5.287   7.479  -1.758
  882    H    ALA 107           H        ALA 107   2.918  11.678  -3.015
  883    HA   ALA 107           HA       ALA 107   2.621  12.048  -5.828
  884   1HB   ALA 107          1HB       ALA 107   1.370  13.252  -3.353
  885   2HB   ALA 107          2HB       ALA 107   0.691  12.043  -4.442
  886   3HB   ALA 107          3HB       ALA 107   0.832  13.721  -4.966
  887    H    ASN 108           H        ASN 108   3.794  14.273  -3.293
  888    HA   ASN 108           HA       ASN 108   4.028  16.650  -4.839
  889   1HB   ASN 108          2HB       ASN 108   5.363  15.451  -2.429
  890   2HB   ASN 108          1HB       ASN 108   6.040  16.926  -3.117
  891   1HD2  ASN 108          1HD2      ASN 108   3.418  15.640  -1.218
  892   2HD2  ASN 108          2HD2      ASN 108   2.594  17.106  -0.996
  893    H    SER 109           H        SER 109   6.363  13.986  -4.339
  894    HA   SER 109           HA       SER 109   8.346  15.157  -6.155
  895   1HB   SER 109          2HB       SER 109   8.132  12.401  -4.907
  896   2HB   SER 109          1HB       SER 109   9.588  13.130  -5.578
  897    HG   SER 109           HG       SER 109   8.320  13.557  -3.164
  898    H    LEU 110           H        LEU 110   5.646  12.941  -6.461
  899    HA   LEU 110           HA       LEU 110   6.508  11.566  -8.858
  900   1HB   LEU 110          2HB       LEU 110   4.270  11.671  -7.047
  901   2HB   LEU 110          1HB       LEU 110   3.666  11.749  -8.702
  902    HG   LEU 110           HG       LEU 110   4.955   9.731  -9.282
  903   1HD1  LEU 110          1HD1      LEU 110   5.838   8.482  -7.117
  904   2HD1  LEU 110          2HD1      LEU 110   5.976  10.125  -6.490
  905   3HD1  LEU 110          3HD1      LEU 110   6.856   9.660  -7.945
  906   1HD2  LEU 110          1HD2      LEU 110   3.295   9.406  -6.762
  907   2HD2  LEU 110          2HD2      LEU 110   3.676   8.121  -7.910
  908   3HD2  LEU 110          3HD2      LEU 110   2.662   9.476  -8.407
  909    H    LYS 111           H        LYS 111   5.067  14.703  -8.246
  910    HA   LYS 111           HA       LYS 111   4.523  16.483  -9.675
  911   1HB   LYS 111          2HB       LYS 111   6.047  14.830 -11.720
  912   2HB   LYS 111          1HB       LYS 111   5.791  16.572 -11.753
  913   1HG   LYS 111          2HG       LYS 111   7.265  15.149  -9.519
  914   2HG   LYS 111          1HG       LYS 111   8.071  15.860 -10.915
  915   1HD   LYS 111          2HD       LYS 111   7.155  18.065 -10.353
  916   2HD   LYS 111          1HD       LYS 111   6.280  17.371  -8.988
  917   1HE   LYS 111          2HE       LYS 111   8.949  16.526  -8.644
  918   2HE   LYS 111          1HE       LYS 111   9.051  18.235  -9.110
  919   1HZ   LYS 111          1HZ       LYS 111   7.519  18.834  -7.422
  920   2HZ   LYS 111          2HZ       LYS 111   8.662  17.823  -6.678
  921   3HZ   LYS 111          3HZ       LYS 111   7.127  17.217  -7.086
  Start of MODEL    7
    1   1H    MET   1          1H        MET   1  17.159   2.684 -15.935
    2   2H    MET   1          2H        MET   1  18.829   2.880 -16.173
    3   3H    MET   1          3H        MET   1  17.961   4.007 -15.242
    4    HA   MET   1           HA       MET   1  18.324   1.143 -14.506
    5   1HB   MET   1          2HB       MET   1  20.375   2.683 -14.638
    6   2HB   MET   1          1HB       MET   1  19.632   3.614 -13.337
    7   1HG   MET   1          2HG       MET   1  19.562   1.585 -11.926
    8   2HG   MET   1          1HG       MET   1  20.318   0.660 -13.223
    9   1HE   MET   1          1HE       MET   1  21.055   2.316  -9.948
   10   2HE   MET   1          2HE       MET   1  20.454   3.641 -10.939
   11   3HE   MET   1          3HE       MET   1  22.113   3.677 -10.348
   12    H    ASN   2           H        ASN   2  17.460   0.688 -12.388
   13    HA   ASN   2           HA       ASN   2  15.218   2.464 -11.595
   14   1HB   ASN   2          2HB       ASN   2  15.097  -0.066 -11.941
   15   2HB   ASN   2          1HB       ASN   2  16.054  -0.223 -10.468
   16   1HD2  ASN   2          1HD2      ASN   2  15.057   0.676  -8.428
   17   2HD2  ASN   2          2HD2      ASN   2  13.369   0.792  -8.315
   18    H    GLU   3           H        GLU   3  15.328   3.772  -9.809
   19    HA   GLU   3           HA       GLU   3  17.319   3.175  -7.671
   20   1HB   GLU   3          2HB       GLU   3  18.123   4.783  -9.561
   21   2HB   GLU   3          1HB       GLU   3  17.028   5.951  -8.818
   22   1HG   GLU   3          2HG       GLU   3  18.834   6.431  -7.508
   23   2HG   GLU   3          1HG       GLU   3  18.316   5.005  -6.611
   24    H    VAL   4           H        VAL   4  15.064   2.595  -6.771
   25    HA   VAL   4           HA       VAL   4  13.830   5.037  -5.538
   26    HB   VAL   4           HB       VAL   4  12.577   2.577  -6.788
   27   1HG1  VAL   4          1HG1      VAL   4  11.194   4.707  -5.128
   28   2HG1  VAL   4          2HG1      VAL   4  11.509   3.059  -4.585
   29   3HG1  VAL   4          3HG1      VAL   4  10.417   3.347  -5.938
   30   1HG2  VAL   4          1HG2      VAL   4  13.192   4.738  -8.097
   31   2HG2  VAL   4          2HG2      VAL   4  11.850   5.475  -7.221
   32   3HG2  VAL   4          3HG2      VAL   4  11.559   4.098  -8.284
   33    H    SER   5           H        SER   5  14.075   4.918  -3.346
   34    HA   SER   5           HA       SER   5  14.572   2.272  -2.067
   35   1HB   SER   5          2HB       SER   5  16.056   4.328  -1.801
   36   2HB   SER   5          1HB       SER   5  14.735   5.064  -0.897
   37    HG   SER   5           HG       SER   5  15.982   4.060   0.601
   38    H    VAL   6           H        VAL   6  13.585   2.224   0.301
   39    HA   VAL   6           HA       VAL   6  10.661   2.520   0.000
   40    HB   VAL   6           HB       VAL   6  12.477   1.354   2.137
   41   1HG1  VAL   6          1HG1      VAL   6   9.455   1.445   1.920
   42   2HG1  VAL   6          2HG1      VAL   6  10.455   2.040   3.247
   43   3HG1  VAL   6          3HG1      VAL   6  10.311   0.305   2.958
   44   1HG2  VAL   6          1HG2      VAL   6  12.421   0.123  -0.007
   45   2HG2  VAL   6          2HG2      VAL   6  10.660   0.076   0.066
   46   3HG2  VAL   6          3HG2      VAL   6  11.616  -0.796   1.264
   47    H    ILE   7           H        ILE   7   9.490   4.143   0.926
   48    HA   ILE   7           HA       ILE   7  10.934   6.148   2.598
   49    HB   ILE   7           HB       ILE   7   8.665   6.093   0.661
   50   1HG1  ILE   7          2HG1      ILE   7   9.718   8.137  -0.117
   51   2HG1  ILE   7          1HG1      ILE   7  10.715   8.226   1.333
   52   1HG2  ILE   7          1HG2      ILE   7   8.814   8.043   2.977
   53   2HG2  ILE   7          2HG2      ILE   7   7.476   6.965   2.582
   54   3HG2  ILE   7          3HG2      ILE   7   7.860   8.319   1.519
   55   1HD1  ILE   7          1HD1      ILE   7  10.825   5.927  -0.639
   56   2HD1  ILE   7          2HD1      ILE   7  11.924   6.230   0.706
   57   3HD1  ILE   7          3HD1      ILE   7  11.917   7.312  -0.685
   58    H    LYS   8           H        LYS   8   8.117   3.970   2.642
   59    HA   LYS   8           HA       LYS   8   7.877   4.492   5.583
   60   1HB   LYS   8          2HB       LYS   8   6.111   5.343   3.579
   61   2HB   LYS   8          1HB       LYS   8   5.345   3.904   4.252
   62   1HG   LYS   8          2HG       LYS   8   4.568   5.702   5.603
   63   2HG   LYS   8          1HG       LYS   8   5.826   4.920   6.561
   64   1HD   LYS   8          2HD       LYS   8   7.381   6.631   6.158
   65   2HD   LYS   8          1HD       LYS   8   6.527   7.199   4.723
   66   1HE   LYS   8          2HE       LYS   8   5.721   8.813   6.141
   67   2HE   LYS   8          1HE       LYS   8   4.606   7.537   6.668
   68   1HZ   LYS   8          1HZ       LYS   8   7.301   8.064   7.819
   69   2HZ   LYS   8          2HZ       LYS   8   6.239   6.826   8.305
   70   3HZ   LYS   8          3HZ       LYS   8   5.823   8.455   8.555
   71    H    GLU   9           H        GLU   9   7.554   2.625   6.790
   72    HA   GLU   9           HA       GLU   9   6.915   0.086   5.343
   73   1HB   GLU   9          2HB       GLU   9   8.784  -0.977   6.650
   74   2HB   GLU   9          1HB       GLU   9   9.340   0.237   5.503
   75   1HG   GLU   9          2HG       GLU   9  10.286   1.422   7.165
   76   2HG   GLU   9          1HG       GLU   9   8.743   1.520   8.013
   77    H    GLY  10           H        GLY  10   5.361  -1.068   6.440
   78   1HA   GLY  10          2HA       GLY  10   5.265  -1.264   9.315
   79   2HA   GLY  10          1HA       GLY  10   4.042  -0.136   8.742
   80    H    TRP  11           H        TRP  11   3.167  -2.391  10.009
   81    HA   TRP  11           HA       TRP  11   2.511  -4.472   8.008
   82   1HB   TRP  11          2HB       TRP  11   2.211  -4.031  10.963
   83   2HB   TRP  11          1HB       TRP  11   1.192  -5.238  10.182
   84    HD1  TRP  11           HD       TRP  11   4.839  -4.438  10.969
   85    HE1  TRP  11           1HE      TRP  11   6.249  -6.574  10.632
   86    HE3  TRP  11           3HE      TRP  11   1.317  -7.509   8.907
   87    HZ2  TRP  11           2HZ      TRP  11   5.924  -9.228   9.617
   88    HZ3  TRP  11           3HZ      TRP  11   1.895  -9.832   8.264
   89    HH2  TRP  11           HH       TRP  11   4.196 -10.692   8.615
   90    H    LEU  12           H        LEU  12   0.442  -4.767   7.131
   91    HA   LEU  12           HA       LEU  12  -1.731  -2.885   7.966
   92   1HB   LEU  12          2HB       LEU  12  -0.480  -3.315   5.249
   93   2HB   LEU  12          1HB       LEU  12  -2.132  -2.716   5.395
   94    HG   LEU  12           HG       LEU  12   0.339  -1.439   6.610
   95   1HD1  LEU  12          1HD1      LEU  12  -0.566   0.461   5.044
   96   2HD1  LEU  12          2HD1      LEU  12  -1.370  -0.864   4.203
   97   3HD1  LEU  12          3HD1      LEU  12   0.386  -0.848   4.348
   98   1HD2  LEU  12          1HD2      LEU  12  -2.558  -1.119   7.093
   99   2HD2  LEU  12          2HD2      LEU  12  -1.701   0.389   6.782
  100   3HD2  LEU  12          3HD2      LEU  12  -1.193  -0.658   8.107
  101    H    HIS  13           H        HIS  13  -3.883  -3.707   7.434
  102    HA   HIS  13           HA       HIS  13  -3.943  -6.676   7.245
  103   1HB   HIS  13          2HB       HIS  13  -5.553  -4.503   8.412
  104   2HB   HIS  13          1HB       HIS  13  -6.513  -5.793   7.686
  105    HD1  HIS  13           1HD      HIS  13  -6.730  -7.922   9.005
  106    HD2  HIS  13           2HD      HIS  13  -3.603  -5.539  10.390
  107    HE1  HIS  13           1HE      HIS  13  -5.828  -9.056  11.084
  108    H    LYS  14           H        LYS  14  -4.508  -7.677   5.386
  109    HA   LYS  14           HA       LYS  14  -6.048  -6.139   3.315
  110   1HB   LYS  14          2HB       LYS  14  -3.553  -6.619   2.943
  111   2HB   LYS  14          1HB       LYS  14  -4.002  -8.321   2.829
  112   1HG   LYS  14          2HG       LYS  14  -5.779  -6.746   1.187
  113   2HG   LYS  14          1HG       LYS  14  -4.106  -6.372   0.773
  114   1HD   LYS  14          2HD       LYS  14  -3.603  -8.692   0.366
  115   2HD   LYS  14          1HD       LYS  14  -5.158  -9.200   1.023
  116   1HE   LYS  14          2HE       LYS  14  -5.944  -9.118  -1.111
  117   2HE   LYS  14          1HE       LYS  14  -5.822  -7.352  -0.988
  118   1HZ   LYS  14          1HZ       LYS  14  -3.562  -9.139  -1.728
  119   2HZ   LYS  14          2HZ       LYS  14  -3.558  -7.439  -1.728
  120   3HZ   LYS  14          3HZ       LYS  14  -4.507  -8.290  -2.851
  121    H    ARG  15           H        ARG  15  -7.800  -7.246   2.403
  122    HA   ARG  15           HA       ARG  15  -8.860  -9.559   3.785
  123   1HB   ARG  15          2HB       ARG  15  -9.995  -7.586   2.480
  124   2HB   ARG  15          1HB       ARG  15  -9.759  -8.619   1.070
  125   1HG   ARG  15          2HG       ARG  15 -11.143 -10.325   1.935
  126   2HG   ARG  15          1HG       ARG  15 -11.032  -9.699   3.580
  127   1HD   ARG  15          2HD       ARG  15 -13.150  -8.921   2.985
  128   2HD   ARG  15          1HD       ARG  15 -12.159  -7.550   2.453
  129    HE   ARG  15           HE       ARG  15 -12.262  -9.500   0.355
  130   1HH1  ARG  15          1HH2      ARG  15 -14.231  -7.153   2.003
  131   2HH1  ARG  15          2HH2      ARG  15 -15.250  -6.871   0.635
  132   1HH2  ARG  15          1HH1      ARG  15 -13.602  -9.133  -1.419
  133   2HH2  ARG  15          2HH1      ARG  15 -14.893  -7.986  -1.301
  134    H    GLY  16           H        GLY  16  -9.044 -11.718   3.016
  135   1HA   GLY  16          2HA       GLY  16  -6.870 -12.613   1.293
  136   2HA   GLY  16          1HA       GLY  16  -8.061 -13.646   2.076
  137    H    GLU  17           H        GLU  17  -9.142 -14.782   0.569
  138    HA   GLU  17           HA       GLU  17  -9.515 -13.713  -2.163
  139   1HB   GLU  17          2HB       GLU  17 -10.214 -16.047  -2.612
  140   2HB   GLU  17          1HB       GLU  17  -8.688 -16.004  -1.733
  141   1HG   GLU  17          2HG       GLU  17 -11.014 -16.052   0.051
  142   2HG   GLU  17          1HG       GLU  17 -10.929 -17.466  -0.996
  143    H    TYR  18           H        TYR  18 -12.038 -15.550  -2.260
  144    HA   TYR  18           HA       TYR  18 -14.027 -13.538  -2.202
  145   1HB   TYR  18          2HB       TYR  18 -15.560 -15.392  -2.505
  146   2HB   TYR  18          1HB       TYR  18 -14.071 -15.773  -3.362
  147    HD1  TYR  18           1HD      TYR  18 -12.625 -17.580  -2.638
  148    HD2  TYR  18           2HD      TYR  18 -16.102 -16.506  -0.353
  149    HE1  TYR  18           1HE      TYR  18 -12.414 -19.674  -1.329
  150    HE2  TYR  18           2HE      TYR  18 -15.888 -18.599   0.956
  151    HH   TYR  18           HH       TYR  18 -13.197 -20.403   1.116
  152    H    ILE  19           H        ILE  19 -12.738 -15.449   0.446
  153    HA   ILE  19           HA       ILE  19 -14.944 -15.189   2.277
  154    HB   ILE  19           HB       ILE  19 -12.926 -16.753   2.348
  155   1HG1  ILE  19          2HG1      ILE  19 -12.676 -16.446   4.913
  156   2HG1  ILE  19          1HG1      ILE  19 -13.831 -15.128   4.726
  157   1HG2  ILE  19          1HG2      ILE  19 -11.416 -14.532   2.112
  158   2HG2  ILE  19          2HG2      ILE  19 -10.825 -15.998   2.894
  159   3HG2  ILE  19          3HG2      ILE  19 -11.441 -14.666   3.871
  160   1HD1  ILE  19          1HD1      ILE  19 -14.999 -17.222   5.275
  161   2HD1  ILE  19          2HD1      ILE  19 -14.274 -18.004   3.870
  162   3HD1  ILE  19          3HD1      ILE  19 -15.425 -16.687   3.650
  163    H    LYS  20           H        LYS  20 -15.260 -13.618   3.948
  164    HA   LYS  20           HA       LYS  20 -14.116 -10.945   3.359
  165   1HB   LYS  20          2HB       LYS  20 -16.396 -12.070   4.991
  166   2HB   LYS  20          1HB       LYS  20 -15.894 -10.390   5.187
  167   1HG   LYS  20          2HG       LYS  20 -16.759  -9.767   3.180
  168   2HG   LYS  20          1HG       LYS  20 -16.200 -11.233   2.378
  169   1HD   LYS  20          2HD       LYS  20 -18.330 -11.721   4.343
  170   2HD   LYS  20          1HD       LYS  20 -18.829 -10.680   3.010
  171   1HE   LYS  20          2HE       LYS  20 -17.590 -12.518   1.537
  172   2HE   LYS  20          1HE       LYS  20 -17.943 -13.544   2.941
  173   1HZ   LYS  20          1HZ       LYS  20 -20.249 -12.845   2.850
  174   2HZ   LYS  20          2HZ       LYS  20 -19.797 -13.519   1.358
  175   3HZ   LYS  20          3HZ       LYS  20 -19.928 -11.833   1.527
  176    H    THR  21           H        THR  21 -12.083 -12.470   4.346
  177    HA   THR  21           HA       THR  21 -11.877 -11.717   7.249
  178    HB   THR  21           HB       THR  21 -10.269 -13.837   5.816
  179    HG1  THR  21           1HG      THR  21 -12.831 -14.069   7.017
  180   1HG2  THR  21          1HG2      THR  21 -10.342 -14.802   8.182
  181   2HG2  THR  21          2HG2      THR  21 -11.017 -13.252   8.683
  182   3HG2  THR  21          3HG2      THR  21  -9.405 -13.322   7.972
  183    H    TRP  22           H        TRP  22 -10.071 -10.506   7.856
  184    HA   TRP  22           HA       TRP  22  -8.279  -9.592   5.633
  185   1HB   TRP  22          2HB       TRP  22  -9.160  -8.321   8.248
  186   2HB   TRP  22          1HB       TRP  22  -8.018  -7.584   7.127
  187    HD1  TRP  22           HD       TRP  22 -11.678  -8.765   7.285
  188    HE1  TRP  22           1HE      TRP  22 -13.040  -7.441   5.547
  189    HE3  TRP  22           3HE      TRP  22  -7.919  -6.145   5.033
  190    HZ2  TRP  22           2HZ      TRP  22 -12.597  -5.518   3.475
  191    HZ3  TRP  22           3HZ      TRP  22  -8.417  -4.577   3.182
  192    HH2  TRP  22           HH       TRP  22 -10.748  -4.260   2.399
  193    H    ARG  23           H        ARG  23  -6.129 -10.065   5.787
  194    HA   ARG  23           HA       ARG  23  -5.080 -11.093   8.406
  195   1HB   ARG  23          2HB       ARG  23  -4.193 -11.711   5.567
  196   2HB   ARG  23          1HB       ARG  23  -3.609 -12.495   7.034
  197   1HG   ARG  23          2HG       ARG  23  -6.546 -12.512   6.334
  198   2HG   ARG  23          1HG       ARG  23  -5.445 -13.709   5.657
  199   1HD   ARG  23          2HD       ARG  23  -4.711 -13.919   8.237
  200   2HD   ARG  23          1HD       ARG  23  -6.390 -13.392   8.470
  201    HE   ARG  23           HE       ARG  23  -6.524 -15.339   6.468
  202   1HH1  ARG  23          1HH2      ARG  23  -5.379 -15.155   9.749
  203   2HH1  ARG  23          2HH2      ARG  23  -5.694 -16.823  10.078
  204   1HH2  ARG  23          1HH1      ARG  23  -6.933 -17.511   6.910
  205   2HH2  ARG  23          2HH1      ARG  23  -6.570 -18.154   8.476
  206    HA   PRO  24           HA       PRO  24  -2.328  -7.644   8.244
  207   1HB   PRO  24          2HB       PRO  24  -0.434  -8.525  10.009
  208   2HB   PRO  24          1HB       PRO  24  -2.034  -7.943  10.509
  209   1HG   PRO  24          2HG       PRO  24  -1.037 -10.730  10.229
  210   2HG   PRO  24          1HG       PRO  24  -2.126 -10.034  11.439
  211   1HD   PRO  24          2HD       PRO  24  -2.965 -11.538   9.311
  212   2HD   PRO  24          1HD       PRO  24  -3.973 -10.323  10.127
  213    H    ARG  25           H        ARG  25  -0.607  -7.057   6.980
  214    HA   ARG  25           HA       ARG  25   1.429  -9.083   6.158
  215   1HB   ARG  25          2HB       ARG  25  -0.659  -7.716   4.529
  216   2HB   ARG  25          1HB       ARG  25   0.952  -7.786   3.815
  217   1HG   ARG  25          2HG       ARG  25   0.314  -9.850   3.108
  218   2HG   ARG  25          1HG       ARG  25   0.677 -10.341   4.762
  219   1HD   ARG  25          2HD       ARG  25  -1.900  -9.319   4.973
  220   2HD   ARG  25          1HD       ARG  25  -1.920 -10.170   3.420
  221    HE   ARG  25           HE       ARG  25  -1.054 -11.411   6.006
  222   1HH1  ARG  25          1HH2      ARG  25  -2.285 -11.667   2.743
  223   2HH1  ARG  25          2HH2      ARG  25  -2.549 -13.369   2.864
  224   1HH2  ARG  25          1HH1      ARG  25  -1.399 -13.625   6.122
  225   2HH2  ARG  25          2HH1      ARG  25  -2.051 -14.474   4.762
  226    H    TYR  26           H        TYR  26   3.483  -8.104   5.824
  227    HA   TYR  26           HA       TYR  26   3.855  -5.420   6.887
  228   1HB   TYR  26          2HB       TYR  26   5.373  -7.639   6.722
  229   2HB   TYR  26          1HB       TYR  26   5.969  -6.802   5.290
  230    HD1  TYR  26           1HD      TYR  26   7.334  -7.432   8.076
  231    HD2  TYR  26           2HD      TYR  26   5.529  -3.938   6.359
  232    HE1  TYR  26           1HE      TYR  26   8.745  -5.997   9.521
  233    HE2  TYR  26           2HE      TYR  26   6.939  -2.502   7.805
  234    HH   TYR  26           HH       TYR  26   8.918  -2.550   9.089
  235    H    PHE  27           H        PHE  27   3.032  -3.771   5.612
  236    HA   PHE  27           HA       PHE  27   3.389  -3.857   2.672
  237   1HB   PHE  27          2HB       PHE  27   1.717  -2.468   4.682
  238   2HB   PHE  27          1HB       PHE  27   2.138  -1.503   3.268
  239    HD1  PHE  27           1HD      PHE  27   0.566  -1.568   1.560
  240    HD2  PHE  27           2HD      PHE  27   1.207  -5.089   3.936
  241    HE1  PHE  27           1HE      PHE  27  -1.131  -2.783   0.221
  242    HE2  PHE  27           2HE      PHE  27  -0.490  -6.303   2.596
  243    HZ   PHE  27           HZ       PHE  27  -1.656  -5.149   0.738
  244    H    LEU  28           H        LEU  28   4.913  -2.669   1.610
  245    HA   LEU  28           HA       LEU  28   6.540  -0.695   3.189
  246   1HB   LEU  28          2HB       LEU  28   7.224  -2.753   1.074
  247   2HB   LEU  28          1HB       LEU  28   8.320  -1.431   1.452
  248    HG   LEU  28           HG       LEU  28   9.046  -3.266   2.785
  249   1HD1  LEU  28          1HD1      LEU  28   8.494  -0.943   3.925
  250   2HD1  LEU  28          2HD1      LEU  28   9.023  -2.317   4.894
  251   3HD1  LEU  28          3HD1      LEU  28   7.310  -1.907   4.809
  252   1HD2  LEU  28          1HD2      LEU  28   7.694  -4.877   3.664
  253   2HD2  LEU  28          2HD2      LEU  28   6.506  -4.229   2.533
  254   3HD2  LEU  28          3HD2      LEU  28   6.495  -3.709   4.218
  255    H    LEU  29           H        LEU  29   6.346   1.365   2.400
  256    HA   LEU  29           HA       LEU  29   5.263   1.779  -0.350
  257   1HB   LEU  29          2HB       LEU  29   4.233   2.846   1.680
  258   2HB   LEU  29          1HB       LEU  29   5.745   3.715   1.943
  259    HG   LEU  29           HG       LEU  29   5.479   4.602  -0.449
  260   1HD1  LEU  29          1HD1      LEU  29   3.548   2.766  -0.729
  261   2HD1  LEU  29          2HD1      LEU  29   3.509   4.293  -1.611
  262   3HD1  LEU  29          3HD1      LEU  29   2.551   4.097  -0.144
  263   1HD2  LEU  29          1HD2      LEU  29   3.147   5.615   1.073
  264   2HD2  LEU  29          2HD2      LEU  29   4.548   6.484   0.447
  265   3HD2  LEU  29          3HD2      LEU  29   4.669   5.591   1.962
  266    H    LYS  30           H        LYS  30   6.674   2.332  -1.964
  267    HA   LYS  30           HA       LYS  30   9.476   3.032  -1.267
  268   1HB   LYS  30          2HB       LYS  30   7.981   1.779  -3.462
  269   2HB   LYS  30          1HB       LYS  30   9.224   2.895  -4.026
  270   1HG   LYS  30          2HG       LYS  30  10.777   1.706  -2.326
  271   2HG   LYS  30          1HG       LYS  30   9.549   0.439  -2.305
  272   1HD   LYS  30          2HD       LYS  30  10.244   1.306  -5.020
  273   2HD   LYS  30          1HD       LYS  30  11.618   0.637  -4.138
  274   1HE   LYS  30          2HE       LYS  30  10.123  -1.336  -3.522
  275   2HE   LYS  30          1HE       LYS  30   8.955  -0.704  -4.700
  276   1HZ   LYS  30          1HZ       LYS  30  11.812  -1.313  -5.266
  277   2HZ   LYS  30          2HZ       LYS  30  10.680  -0.720  -6.386
  278   3HZ   LYS  30          3HZ       LYS  30  10.497  -2.278  -5.733
  279    H    SER  31           H        SER  31  10.483   4.716  -2.854
  280    HA   SER  31           HA       SER  31   9.052   7.250  -2.537
  281   1HB   SER  31          2HB       SER  31  11.679   6.388  -2.683
  282   2HB   SER  31          1HB       SER  31  11.451   7.178  -4.239
  283    HG   SER  31           HG       SER  31  10.741   9.023  -3.130
  284    H    ASP  32           H        ASP  32   8.956   4.832  -4.923
  285    HA   ASP  32           HA       ASP  32   8.577   6.641  -7.228
  286   1HB   ASP  32          2HB       ASP  32   9.744   4.580  -7.601
  287   2HB   ASP  32          1HB       ASP  32   8.525   3.652  -6.732
  288    H    GLY  33           H        GLY  33   6.640   5.294  -4.717
  289   1HA   GLY  33          2HA       GLY  33   4.324   5.949  -4.418
  290   2HA   GLY  33          1HA       GLY  33   4.179   6.122  -6.169
  291    H    SER  34           H        SER  34   5.611   3.391  -4.403
  292    HA   SER  34           HA       SER  34   3.379   1.664  -5.418
  293   1HB   SER  34          2HB       SER  34   4.945   0.687  -6.726
  294   2HB   SER  34          1HB       SER  34   6.194   1.723  -6.048
  295    HG   SER  34           HG       SER  34   5.402  -0.868  -5.337
  296    H    PHE  35           H        PHE  35   2.887  -0.159  -4.074
  297    HA   PHE  35           HA       PHE  35   3.996  -0.010  -1.283
  298   1HB   PHE  35          2HB       PHE  35   1.373   0.358  -2.313
  299   2HB   PHE  35          1HB       PHE  35   1.365  -1.194  -1.478
  300    HD1  PHE  35           1HD      PHE  35   3.203  -0.867   0.733
  301    HD2  PHE  35           2HD      PHE  35   0.426   1.964  -0.919
  302    HE1  PHE  35           1HE      PHE  35   3.101   0.309   2.913
  303    HE2  PHE  35           2HE      PHE  35   0.328   3.140   1.259
  304    HZ   PHE  35           HZ       PHE  35   1.664   2.311   3.176
  305    H    ILE  36           H        ILE  36   5.048  -1.899  -0.719
  306    HA   ILE  36           HA       ILE  36   4.444  -4.371  -2.300
  307    HB   ILE  36           HB       ILE  36   6.772  -3.781  -0.438
  308   1HG1  ILE  36          2HG1      ILE  36   6.776  -2.068  -2.178
  309   2HG1  ILE  36          1HG1      ILE  36   8.039  -3.244  -2.537
  310   1HG2  ILE  36          1HG2      ILE  36   6.161  -5.865  -2.529
  311   2HG2  ILE  36          2HG2      ILE  36   6.705  -6.096  -0.869
  312   3HG2  ILE  36          3HG2      ILE  36   7.826  -5.488  -2.086
  313   1HD1  ILE  36          1HD1      ILE  36   5.999  -4.385  -3.882
  314   2HD1  ILE  36          2HD1      ILE  36   7.060  -3.182  -4.614
  315   3HD1  ILE  36          3HD1      ILE  36   5.489  -2.700  -3.975
  316    H    GLY  37           H        GLY  37   3.119  -5.809  -1.281
  317   1HA   GLY  37          2HA       GLY  37   2.827  -5.686   1.674
  318   2HA   GLY  37          1HA       GLY  37   1.719  -6.495   0.566
  319    H    TYR  38           H        TYR  38   4.273  -6.956   2.718
  320    HA   TYR  38           HA       TYR  38   5.202  -9.513   1.523
  321   1HB   TYR  38          2HB       TYR  38   6.055  -7.545   3.570
  322   2HB   TYR  38          1HB       TYR  38   6.419  -9.221   3.970
  323    HD1  TYR  38           1HD      TYR  38   8.051 -10.485   2.729
  324    HD2  TYR  38           2HD      TYR  38   6.957  -6.518   1.494
  325    HE1  TYR  38           1HE      TYR  38   9.986 -10.434   1.179
  326    HE2  TYR  38           2HE      TYR  38   8.890  -6.469  -0.056
  327    HH   TYR  38           HH       TYR  38  10.472  -9.059  -1.104
  328    H    LYS  39           H        LYS  39   4.781 -11.542   2.523
  329    HA   LYS  39           HA       LYS  39   2.363 -11.736   4.142
  330   1HB   LYS  39          2HB       LYS  39   2.840 -14.155   4.002
  331   2HB   LYS  39          1HB       LYS  39   3.023 -13.394   2.426
  332   1HG   LYS  39          2HG       LYS  39   5.336 -13.617   2.432
  333   2HG   LYS  39          1HG       LYS  39   5.436 -13.619   4.192
  334   1HD   LYS  39          2HD       LYS  39   5.828 -15.866   3.717
  335   2HD   LYS  39          1HD       LYS  39   4.085 -15.867   3.985
  336   1HE   LYS  39          2HE       LYS  39   4.314 -17.057   1.949
  337   2HE   LYS  39          1HE       LYS  39   3.944 -15.411   1.400
  338   1HZ   LYS  39          1HZ       LYS  39   6.337 -14.965   1.297
  339   2HZ   LYS  39          2HZ       LYS  39   5.907 -16.245   0.267
  340   3HZ   LYS  39          3HZ       LYS  39   6.664 -16.565   1.753
  341    H    GLU  40           H        GLU  40   5.819 -11.739   4.785
  342    HA   GLU  40           HA       GLU  40   5.248 -11.942   7.720
  343   1HB   GLU  40          2HB       GLU  40   7.140 -13.426   5.923
  344   2HB   GLU  40          1HB       GLU  40   7.654 -13.095   7.577
  345   1HG   GLU  40          2HG       GLU  40   4.914 -14.224   7.117
  346   2HG   GLU  40          1HG       GLU  40   6.307 -15.301   7.022
  347    H    ARG  41           H        ARG  41   7.963 -11.501   8.500
  348    HA   ARG  41           HA       ARG  41   8.485  -8.780   7.352
  349   1HB   ARG  41          2HB       ARG  41   9.354  -8.347   9.773
  350   2HB   ARG  41          1HB       ARG  41   7.616  -8.385   9.510
  351   1HG   ARG  41          2HG       ARG  41   7.674 -10.836  10.167
  352   2HG   ARG  41          1HG       ARG  41   9.348 -10.585  10.660
  353   1HD   ARG  41          2HD       ARG  41   7.273  -8.682  11.699
  354   2HD   ARG  41          1HD       ARG  41   7.373 -10.302  12.413
  355    HE   ARG  41           HE       ARG  41   9.893  -8.745  12.104
  356   1HH1  ARG  41          1HH2      ARG  41   7.432 -10.135  14.148
  357   2HH1  ARG  41          2HH2      ARG  41   8.386  -9.998  15.581
  358   1HH2  ARG  41          1HH1      ARG  41  11.114  -8.570  13.989
  359   2HH2  ARG  41          2HH1      ARG  41  10.456  -9.114  15.496
  360    HA   PRO  42           HA       PRO  42  12.284 -11.473   7.097
  361   1HB   PRO  42          2HB       PRO  42  12.601 -11.390   4.386
  362   2HB   PRO  42          1HB       PRO  42  11.610 -12.614   5.202
  363   1HG   PRO  42          2HG       PRO  42  10.777 -10.183   3.723
  364   2HG   PRO  42          1HG       PRO  42   9.986 -11.760   3.845
  365   1HD   PRO  42          2HD       PRO  42   9.230  -9.499   5.242
  366   2HD   PRO  42          1HD       PRO  42   8.829 -11.166   5.704
  367    H    GLU  43           H        GLU  43  14.434 -10.659   6.625
  368    HA   GLU  43           HA       GLU  43  14.545  -7.763   5.841
  369   1HB   GLU  43          2HB       GLU  43  14.754  -8.080   8.268
  370   2HB   GLU  43          1HB       GLU  43  16.035  -9.266   8.023
  371   1HG   GLU  43          2HG       GLU  43  17.013  -7.135   6.606
  372   2HG   GLU  43          1HG       GLU  43  16.154  -6.316   7.911
  373    H    ALA  44           H        ALA  44  16.352 -10.846   6.054
  374    HA   ALA  44           HA       ALA  44  17.958 -11.766   4.589
  375   1HB   ALA  44          1HB       ALA  44  17.902 -11.028   2.379
  376   2HB   ALA  44          2HB       ALA  44  17.764  -9.332   2.840
  377   3HB   ALA  44          3HB       ALA  44  16.365 -10.399   2.969
  378    HA   PRO  45           HA       PRO  45  21.688  -9.787   5.792
  379   1HB   PRO  45          2HB       PRO  45  23.451 -10.726   3.918
  380   2HB   PRO  45          1HB       PRO  45  22.798 -11.733   5.225
  381   1HG   PRO  45          2HG       PRO  45  22.012 -11.605   2.361
  382   2HG   PRO  45          1HG       PRO  45  22.107 -13.000   3.446
  383   1HD   PRO  45          2HD       PRO  45  19.768 -11.754   2.762
  384   2HD   PRO  45          1HD       PRO  45  20.004 -12.667   4.268
  385    H    ASP  46           H        ASP  46  21.126  -9.630   2.247
  386    HA   ASP  46           HA       ASP  46  22.137  -6.804   2.312
  387   1HB   ASP  46          2HB       ASP  46  23.291  -8.921   1.053
  388   2HB   ASP  46          1HB       ASP  46  22.201  -8.370  -0.219
  389    H    GLN  47           H        GLN  47  20.311  -8.828  -0.040
  390    HA   GLN  47           HA       GLN  47  17.848  -7.304   0.290
  391   1HB   GLN  47          2HB       GLN  47  19.962  -6.314  -1.408
  392   2HB   GLN  47          1HB       GLN  47  18.563  -6.722  -2.400
  393   1HG   GLN  47          2HG       GLN  47  18.265  -5.129   0.145
  394   2HG   GLN  47          1HG       GLN  47  18.650  -4.345  -1.386
  395   1HE2  GLN  47          1HE2      GLN  47  16.133  -4.018   0.124
  396   2HE2  GLN  47          2HE2      GLN  47  14.889  -4.585  -0.880
  397    H    THR  48           H        THR  48  18.129 -10.029   0.355
  398    HA   THR  48           HA       THR  48  17.313 -11.012  -2.351
  399    HB   THR  48           HB       THR  48  19.276 -12.042  -1.222
  400    HG1  THR  48           1HG      THR  48  17.017 -13.752  -1.359
  401   1HG2  THR  48          1HG2      THR  48  18.396 -13.655   0.747
  402   2HG2  THR  48          2HG2      THR  48  17.295 -12.298   0.979
  403   3HG2  THR  48          3HG2      THR  48  19.038 -12.042   1.053
  404    H    LEU  49           H        LEU  49  15.378  -9.577  -1.145
  405    HA   LEU  49           HA       LEU  49  13.552 -11.479   0.256
  406   1HB   LEU  49          2HB       LEU  49  13.437  -8.479  -0.205
  407   2HB   LEU  49          1HB       LEU  49  12.324  -9.399   0.805
  408    HG   LEU  49           HG       LEU  49  14.973 -10.078   1.614
  409   1HD1  LEU  49          1HD1      LEU  49  15.320  -7.744   0.440
  410   2HD1  LEU  49          2HD1      LEU  49  16.052  -8.048   2.016
  411   3HD1  LEU  49          3HD1      LEU  49  14.559  -7.117   1.902
  412   1HD2  LEU  49          1HD2      LEU  49  13.064  -8.226   3.051
  413   2HD2  LEU  49          2HD2      LEU  49  14.175  -9.405   3.748
  414   3HD2  LEU  49          3HD2      LEU  49  12.735  -9.951   2.889
  415    HA   PRO  50           HA       PRO  50  11.523 -11.809  -3.732
  416   1HB   PRO  50          2HB       PRO  50   9.712 -13.713  -2.975
  417   2HB   PRO  50          1HB       PRO  50  11.404 -14.087  -3.353
  418   1HG   PRO  50          2HG       PRO  50  10.066 -13.832  -0.718
  419   2HG   PRO  50          1HG       PRO  50  11.370 -14.915  -1.224
  420   1HD   PRO  50          2HD       PRO  50  11.720 -12.621   0.267
  421   2HD   PRO  50          1HD       PRO  50  12.986 -13.405  -0.703
  422    HA   PRO  51           HA       PRO  51   8.176  -9.038  -2.674
  423   1HB   PRO  51          2HB       PRO  51   7.288  -8.597  -5.223
  424   2HB   PRO  51          1HB       PRO  51   8.747  -7.832  -4.562
  425   1HG   PRO  51          2HG       PRO  51   8.493 -10.157  -6.395
  426   2HG   PRO  51          1HG       PRO  51   9.703  -8.867  -6.367
  427   1HD   PRO  51          2HD       PRO  51  10.123 -11.396  -5.391
  428   2HD   PRO  51          1HD       PRO  51  11.012  -9.956  -4.850
  429    H    LEU  52           H        LEU  52   6.119  -9.589  -2.034
  430    HA   LEU  52           HA       LEU  52   4.856 -12.007  -3.260
  431   1HB   LEU  52          2HB       LEU  52   5.435 -11.700  -0.750
  432   2HB   LEU  52          1HB       LEU  52   4.059 -10.598  -0.710
  433    HG   LEU  52           HG       LEU  52   3.032 -12.785  -2.054
  434   1HD1  LEU  52          1HD1      LEU  52   4.772 -13.784   0.221
  435   2HD1  LEU  52          2HD1      LEU  52   5.103 -14.055  -1.490
  436   3HD1  LEU  52          3HD1      LEU  52   3.663 -14.752  -0.748
  437   1HD2  LEU  52          1HD2      LEU  52   3.001 -12.233   0.933
  438   2HD2  LEU  52          2HD2      LEU  52   1.818 -13.202   0.055
  439   3HD2  LEU  52          3HD2      LEU  52   1.947 -11.471  -0.257
  440    H    ASN  53           H        ASN  53   3.807  -8.854  -1.876
  441    HA   ASN  53           HA       ASN  53   1.611  -8.799  -3.929
  442   1HB   ASN  53          2HB       ASN  53   1.038  -9.077  -1.473
  443   2HB   ASN  53          1HB       ASN  53   1.727  -7.479  -1.199
  444   1HD2  ASN  53          1HD2      ASN  53  -0.419  -8.766  -3.816
  445   2HD2  ASN  53          2HD2      ASN  53  -1.600  -7.564  -3.623
  446    H    ASN  54           H        ASN  54   1.661  -7.058  -5.334
  447    HA   ASN  54           HA       ASN  54   3.451  -4.753  -4.613
  448   1HB   ASN  54          2HB       ASN  54   3.034  -6.357  -7.125
  449   2HB   ASN  54          1HB       ASN  54   3.605  -4.691  -7.241
  450   1HD2  ASN  54          1HD2      ASN  54   5.857  -4.711  -7.440
  451   2HD2  ASN  54          2HD2      ASN  54   6.898  -5.728  -6.567
  452    H    PHE  55           H        PHE  55   2.285  -2.927  -4.327
  453    HA   PHE  55           HA       PHE  55  -0.314  -2.564  -5.789
  454   1HB   PHE  55          2HB       PHE  55   0.729  -2.034  -3.080
  455   2HB   PHE  55          1HB       PHE  55  -0.154  -0.674  -3.768
  456    HD1  PHE  55           1HD      PHE  55  -2.532  -0.760  -4.094
  457    HD2  PHE  55           2HD      PHE  55  -0.373  -4.268  -2.873
  458    HE1  PHE  55           1HE      PHE  55  -4.673  -1.905  -3.598
  459    HE2  PHE  55           2HE      PHE  55  -2.517  -5.413  -2.379
  460    HZ   PHE  55           HZ       PHE  55  -4.667  -4.231  -2.741
  461    H    SER  56           H        SER  56  -0.647  -0.520  -6.872
  462    HA   SER  56           HA       SER  56   1.801   1.203  -7.126
  463   1HB   SER  56          2HB       SER  56   0.928   1.467  -9.544
  464   2HB   SER  56          1HB       SER  56   1.666  -0.074  -9.121
  465    HG   SER  56           HG       SER  56  -0.198  -0.710  -9.978
  466    H    VAL  57           H        VAL  57   1.404   3.308  -6.623
  467    HA   VAL  57           HA       VAL  57  -1.389   4.354  -6.939
  468    HB   VAL  57           HB       VAL  57  -0.739   3.719  -4.584
  469   1HG1  VAL  57          1HG1      VAL  57   0.814   5.582  -3.544
  470   2HG1  VAL  57          2HG1      VAL  57   1.437   5.693  -5.189
  471   3HG1  VAL  57          3HG1      VAL  57   1.526   4.165  -4.314
  472   1HG2  VAL  57          1HG2      VAL  57  -1.817   5.564  -3.645
  473   2HG2  VAL  57          2HG2      VAL  57  -2.301   5.693  -5.336
  474   3HG2  VAL  57          3HG2      VAL  57  -1.003   6.710  -4.708
  475    H    ALA  58           H        ALA  58   1.074   4.606  -8.660
  476    HA   ALA  58           HA       ALA  58   2.107   7.321  -8.329
  477   1HB   ALA  58          1HB       ALA  58   3.397   5.504  -9.362
  478   2HB   ALA  58          2HB       ALA  58   3.138   6.790 -10.543
  479   3HB   ALA  58          3HB       ALA  58   2.167   5.319 -10.614
  480    H    GLU  59           H        GLU  59  -0.251   5.738 -10.488
  481    HA   GLU  59           HA       GLU  59  -1.335   8.450 -11.179
  482   1HB   GLU  59          2HB       GLU  59  -1.779   7.457 -13.442
  483   2HB   GLU  59          1HB       GLU  59  -0.063   7.519 -13.047
  484   1HG   GLU  59          2HG       GLU  59   0.030   5.308 -13.487
  485   2HG   GLU  59          1HG       GLU  59  -0.943   5.045 -12.042
  486    H    CYS  60           H        CYS  60  -2.151   6.400  -9.104
  487    HA   CYS  60           HA       CYS  60  -4.851   5.646 -10.162
  488   1HB   CYS  60          2HB       CYS  60  -3.044   4.592  -7.975
  489   2HB   CYS  60          1HB       CYS  60  -4.733   4.103  -8.108
  490    H    GLN  61           H        GLN  61  -6.503   5.576  -8.228
  491    HA   GLN  61           HA       GLN  61  -6.395   8.235  -6.858
  492   1HB   GLN  61          2HB       GLN  61  -8.232   7.341  -8.521
  493   2HB   GLN  61          1HB       GLN  61  -8.806   6.448  -7.113
  494   1HG   GLN  61          2HG       GLN  61  -8.227   9.386  -6.858
  495   2HG   GLN  61          1HG       GLN  61  -9.740   8.862  -7.595
  496   1HE2  GLN  61          1HE2      GLN  61 -10.598   6.740  -6.107
  497   2HE2  GLN  61          2HE2      GLN  61 -10.736   7.149  -4.465
  498    H    LEU  62           H        LEU  62  -6.736   8.343  -4.590
  499    HA   LEU  62           HA       LEU  62  -6.977   5.739  -3.119
  500   1HB   LEU  62          2HB       LEU  62  -4.611   6.857  -3.434
  501   2HB   LEU  62          1HB       LEU  62  -5.178   7.963  -2.182
  502    HG   LEU  62           HG       LEU  62  -5.666   5.101  -1.619
  503   1HD1  LEU  62          1HD1      LEU  62  -2.859   6.248  -1.698
  504   2HD1  LEU  62          2HD1      LEU  62  -3.470   4.906  -2.666
  505   3HD1  LEU  62          3HD1      LEU  62  -3.302   4.728  -0.920
  506   1HD2  LEU  62          1HD2      LEU  62  -6.150   6.757   0.065
  507   2HD2  LEU  62          2HD2      LEU  62  -4.553   7.483  -0.110
  508   3HD2  LEU  62          3HD2      LEU  62  -4.718   5.879   0.602
  509    H    MET  63           H        MET  63  -8.448   5.851  -1.437
  510    HA   MET  63           HA       MET  63  -9.156   8.510  -0.288
  511   1HB   MET  63          2HB       MET  63 -11.513   8.159  -0.772
  512   2HB   MET  63          1HB       MET  63 -10.611   7.979  -2.275
  513   1HG   MET  63          2HG       MET  63 -10.594   5.488  -1.883
  514   2HG   MET  63          1HG       MET  63 -11.666   5.751  -0.508
  515   1HE   MET  63          1HE       MET  63 -14.262   4.925  -1.181
  516   2HE   MET  63          2HE       MET  63 -14.969   6.466  -1.659
  517   3HE   MET  63          3HE       MET  63 -13.733   6.424  -0.404
  518    H    LYS  64           H        LYS  64 -10.057   8.356   1.833
  519    HA   LYS  64           HA       LYS  64  -9.526   5.797   3.230
  520   1HB   LYS  64          2HB       LYS  64 -10.271   8.612   4.073
  521   2HB   LYS  64          1HB       LYS  64 -10.065   7.292   5.225
  522   1HG   LYS  64          2HG       LYS  64  -7.756   6.937   4.365
  523   2HG   LYS  64          1HG       LYS  64  -7.965   8.321   3.293
  524   1HD   LYS  64          2HD       LYS  64  -8.282   8.479   6.302
  525   2HD   LYS  64          1HD       LYS  64  -6.775   8.848   5.464
  526   1HE   LYS  64          2HE       LYS  64  -9.370  10.214   4.701
  527   2HE   LYS  64          1HE       LYS  64  -8.319  10.855   5.978
  528   1HZ   LYS  64          1HZ       LYS  64  -7.570  10.298   3.156
  529   2HZ   LYS  64          2HZ       LYS  64  -6.447  10.682   4.372
  530   3HZ   LYS  64          3HZ       LYS  64  -7.629  11.814   3.915
  531    H    THR  65           H        THR  65 -11.189   4.726   4.505
  532    HA   THR  65           HA       THR  65 -13.992   5.634   4.175
  533    HB   THR  65           HB       THR  65 -13.367   4.359   2.128
  534    HG1  THR  65           1HG      THR  65 -15.156   3.054   2.194
  535   1HG2  THR  65          1HG2      THR  65 -11.690   2.859   2.937
  536   2HG2  THR  65          2HG2      THR  65 -13.054   1.852   2.451
  537   3HG2  THR  65          3HG2      THR  65 -12.777   2.195   4.158
  538    H    GLU  66           H        GLU  66 -15.487   3.897   5.269
  539    HA   GLU  66           HA       GLU  66 -14.116   2.847   7.728
  540   1HB   GLU  66          2HB       GLU  66 -16.186   3.478   8.910
  541   2HB   GLU  66          1HB       GLU  66 -15.507   4.871   8.071
  542   1HG   GLU  66          2HG       GLU  66 -17.405   5.119   6.884
  543   2HG   GLU  66          1HG       GLU  66 -17.272   3.468   6.279
  544    H    ARG  67           H        ARG  67 -15.061   1.557   5.019
  545    HA   ARG  67           HA       ARG  67 -16.525  -0.711   6.316
  546   1HB   ARG  67          2HB       ARG  67 -17.194   0.989   3.959
  547   2HB   ARG  67          1HB       ARG  67 -17.546  -0.734   3.820
  548   1HG   ARG  67          2HG       ARG  67 -19.026  -0.705   5.658
  549   2HG   ARG  67          1HG       ARG  67 -18.388   0.827   6.259
  550   1HD   ARG  67          2HD       ARG  67 -19.238   1.783   3.960
  551   2HD   ARG  67          1HD       ARG  67 -20.274   0.345   3.960
  552    HE   ARG  67           HE       ARG  67 -20.340   2.531   5.971
  553   1HH1  ARG  67          1HH2      ARG  67 -21.461  -0.593   4.901
  554   2HH1  ARG  67          2HH2      ARG  67 -22.868  -0.558   5.903
  555   1HH2  ARG  67          1HH1      ARG  67 -22.169   2.550   7.276
  556   2HH2  ARG  67          2HH1      ARG  67 -23.268   1.212   7.245
  557    HA   PRO  68           HA       PRO  68 -17.215  -2.647   5.698
  558   1HB   PRO  68          2HB       PRO  68 -16.219  -5.013   6.643
  559   2HB   PRO  68          1HB       PRO  68 -16.865  -4.817   5.003
  560   1HG   PRO  68          2HG       PRO  68 -14.039  -4.864   5.929
  561   2HG   PRO  68          1HG       PRO  68 -14.761  -5.559   4.471
  562   1HD   PRO  68          2HD       PRO  68 -13.349  -3.230   4.482
  563   2HD   PRO  68          1HD       PRO  68 -14.633  -3.593   3.310
  564    H    ARG  69           H        ARG  69 -13.964  -2.161   6.893
  565    HA   ARG  69           HA       ARG  69 -15.020  -2.007   9.702
  566   1HB   ARG  69          2HB       ARG  69 -12.895  -3.475   8.547
  567   2HB   ARG  69          1HB       ARG  69 -12.133  -2.176   9.464
  568   1HG   ARG  69          2HG       ARG  69 -12.723  -3.092  11.447
  569   2HG   ARG  69          1HG       ARG  69 -14.366  -3.422  10.899
  570   1HD   ARG  69          2HD       ARG  69 -12.125  -5.104   9.810
  571   2HD   ARG  69          1HD       ARG  69 -12.742  -5.440  11.440
  572    HE   ARG  69           HE       ARG  69 -15.010  -5.101   9.804
  573   1HH1  ARG  69          1HH2      ARG  69 -12.256  -7.218  10.016
  574   2HH1  ARG  69          2HH2      ARG  69 -13.090  -8.564   9.320
  575   1HH2  ARG  69          1HH1      ARG  69 -16.086  -6.866   8.900
  576   2HH2  ARG  69          2HH1      ARG  69 -15.249  -8.367   8.689
  577    HA   PRO  70           HA       PRO  70 -13.948   2.267   9.732
  578   1HB   PRO  70          2HB       PRO  70 -12.974   2.609  12.272
  579   2HB   PRO  70          1HB       PRO  70 -14.699   2.383  11.913
  580   1HG   PRO  70          2HG       PRO  70 -12.690   0.397  12.869
  581   2HG   PRO  70          1HG       PRO  70 -14.376   0.624  13.367
  582   1HD   PRO  70          2HD       PRO  70 -13.613  -1.331  11.663
  583   2HD   PRO  70          1HD       PRO  70 -15.206  -0.547  11.568
  584    H    ASN  71           H        ASN  71 -12.097   3.764   9.782
  585    HA   ASN  71           HA       ASN  71  -9.861   4.338   9.294
  586   1HB   ASN  71          2HB       ASN  71  -9.938   2.483  11.538
  587   2HB   ASN  71          1HB       ASN  71  -8.426   2.325  10.644
  588   1HD2  ASN  71          1HD2      ASN  71 -10.450   4.654  12.437
  589   2HD2  ASN  71          2HD2      ASN  71  -9.215   5.794  12.669
  590    H    THR  72           H        THR  72 -10.880   3.137   7.151
  591    HA   THR  72           HA       THR  72  -8.932   0.983   6.384
  592    HB   THR  72           HB       THR  72 -11.820   1.545   5.680
  593    HG1  THR  72           1HG      THR  72 -12.051   0.051   7.111
  594   1HG2  THR  72          1HG2      THR  72 -10.864   0.960   3.572
  595   2HG2  THR  72          2HG2      THR  72 -11.571  -0.526   4.203
  596   3HG2  THR  72          3HG2      THR  72  -9.830  -0.266   4.302
  597    H    PHE  73           H        PHE  73  -8.127   1.065   4.190
  598    HA   PHE  73           HA       PHE  73  -8.251   3.795   2.942
  599   1HB   PHE  73          2HB       PHE  73  -6.096   1.906   3.672
  600   2HB   PHE  73          1HB       PHE  73  -5.925   2.633   2.074
  601    HD1  PHE  73           1HD      PHE  73  -5.482   3.110   5.588
  602    HD2  PHE  73           2HD      PHE  73  -6.205   5.209   1.912
  603    HE1  PHE  73           1HE      PHE  73  -4.677   5.209   6.627
  604    HE2  PHE  73           2HE      PHE  73  -5.401   7.311   2.953
  605    HZ   PHE  73           HZ       PHE  73  -4.639   7.309   5.314
  606    H    VAL  74           H        VAL  74  -8.935   3.849   0.834
  607    HA   VAL  74           HA       VAL  74  -9.146   1.248  -0.658
  608    HB   VAL  74           HB       VAL  74 -10.848   3.762  -0.615
  609   1HG1  VAL  74          1HG1      VAL  74 -12.302   2.452  -2.239
  610   2HG1  VAL  74          2HG1      VAL  74 -10.932   1.363  -2.461
  611   3HG1  VAL  74          3HG1      VAL  74 -10.789   3.062  -2.910
  612   1HG2  VAL  74          1HG2      VAL  74 -12.490   2.446   0.411
  613   2HG2  VAL  74          2HG2      VAL  74 -11.012   1.826   1.146
  614   3HG2  VAL  74          3HG2      VAL  74 -11.784   0.938  -0.168
  615    H    ILE  75           H        ILE  75  -7.961   1.165  -2.538
  616    HA   ILE  75           HA       ILE  75  -7.175   3.754  -3.837
  617    HB   ILE  75           HB       ILE  75  -5.320   2.880  -2.484
  618   1HG1  ILE  75          2HG1      ILE  75  -4.882   2.364  -5.444
  619   2HG1  ILE  75          1HG1      ILE  75  -4.812   3.945  -4.666
  620   1HG2  ILE  75          1HG2      ILE  75  -4.422   0.689  -2.730
  621   2HG2  ILE  75          2HG2      ILE  75  -5.361   0.382  -4.191
  622   3HG2  ILE  75          3HG2      ILE  75  -6.167   0.461  -2.624
  623   1HD1  ILE  75          1HD1      ILE  75  -2.548   3.046  -4.916
  624   2HD1  ILE  75          2HD1      ILE  75  -3.016   1.576  -4.063
  625   3HD1  ILE  75          3HD1      ILE  75  -2.975   3.118  -3.207
  626    H    ARG  76           H        ARG  76  -8.160   3.721  -5.822
  627    HA   ARG  76           HA       ARG  76  -8.223   1.111  -7.312
  628   1HB   ARG  76          2HB       ARG  76 -10.394   2.086  -6.359
  629   2HB   ARG  76          1HB       ARG  76 -10.209   3.384  -7.540
  630   1HG   ARG  76          2HG       ARG  76 -10.553   1.966  -9.359
  631   2HG   ARG  76          1HG       ARG  76 -10.025   0.535  -8.473
  632   1HD   ARG  76          2HD       ARG  76 -12.609   2.048  -7.949
  633   2HD   ARG  76          1HD       ARG  76 -12.484   0.497  -8.804
  634    HE   ARG  76           HE       ARG  76 -11.239  -0.239  -6.604
  635   1HH1  ARG  76          1HH2      ARG  76 -13.994   1.881  -6.842
  636   2HH1  ARG  76          2HH2      ARG  76 -14.455   1.647  -5.193
  637   1HH2  ARG  76          1HH1      ARG  76 -11.844  -0.501  -4.457
  638   2HH2  ARG  76          2HH1      ARG  76 -13.251   0.306  -3.849
  639    H    CYS  77           H        CYS  77  -7.964   1.249  -9.609
  640    HA   CYS  77           HA       CYS  77  -6.704   3.796 -10.584
  641   1HB   CYS  77          2HB       CYS  77  -6.197   0.912 -11.407
  642   2HB   CYS  77          1HB       CYS  77  -5.295   2.323 -11.958
  643    H    LEU  78           H        LEU  78  -6.641   3.116 -13.311
  644    HA   LEU  78           HA       LEU  78  -9.310   3.743 -14.180
  645   1HB   LEU  78          2HB       LEU  78  -6.835   3.966 -15.209
  646   2HB   LEU  78          1HB       LEU  78  -7.332   2.486 -16.030
  647    HG   LEU  78           HG       LEU  78  -9.523   3.809 -16.562
  648   1HD1  LEU  78          1HD1      LEU  78  -9.418   6.155 -16.509
  649   2HD1  LEU  78          2HD1      LEU  78  -7.661   6.169 -16.369
  650   3HD1  LEU  78          3HD1      LEU  78  -8.650   5.701 -14.987
  651   1HD2  LEU  78          1HD2      LEU  78  -7.800   3.100 -18.220
  652   2HD2  LEU  78          2HD2      LEU  78  -6.905   4.584 -17.890
  653   3HD2  LEU  78          3HD2      LEU  78  -8.508   4.664 -18.621
  654    H    GLN  79           H        GLN  79  -7.639   0.690 -13.674
  655    HA   GLN  79           HA       GLN  79  -8.374  -1.539 -13.811
  656   1HB   GLN  79          2HB       GLN  79 -11.076  -0.155 -13.971
  657   2HB   GLN  79          1HB       GLN  79 -10.812  -1.847 -13.561
  658   1HG   GLN  79          2HG       GLN  79  -9.182  -0.742 -11.738
  659   2HG   GLN  79          1HG       GLN  79 -10.313   0.597 -11.929
  660   1HE2  GLN  79          1HE2      GLN  79  -9.893  -1.584  -9.720
  661   2HE2  GLN  79          2HE2      GLN  79 -11.466  -2.159  -9.443
  662    H    TRP  80           H        TRP  80  -7.572  -2.242 -15.794
  663    HA   TRP  80           HA       TRP  80  -9.194  -1.684 -18.247
  664   1HB   TRP  80          2HB       TRP  80  -6.549  -1.352 -17.769
  665   2HB   TRP  80          1HB       TRP  80  -6.531  -3.015 -18.355
  666    HD1  TRP  80           HD       TRP  80  -6.841   0.525 -19.501
  667    HE1  TRP  80           1HE      TRP  80  -7.238   0.594 -22.047
  668    HE3  TRP  80           3HE      TRP  80  -7.781  -4.417 -20.381
  669    HZ2  TRP  80           2HZ      TRP  80  -7.871  -1.210 -24.177
  670    HZ3  TRP  80           3HZ      TRP  80  -8.278  -5.213 -22.675
  671    HH2  TRP  80           HH       TRP  80  -8.323  -3.618 -24.571
  672    H    THR  81           H        THR  81  -7.382  -4.368 -16.694
  673    HA   THR  81           HA       THR  81  -9.176  -6.315 -18.094
  674    HB   THR  81           HB       THR  81  -6.484  -6.637 -16.714
  675    HG1  THR  81           1HG      THR  81  -7.213  -6.504 -19.456
  676   1HG2  THR  81          1HG2      THR  81  -6.493  -8.822 -18.004
  677   2HG2  THR  81          2HG2      THR  81  -8.205  -8.537 -18.322
  678   3HG2  THR  81          3HG2      THR  81  -7.638  -8.739 -16.665
  679    H    THR  82           H        THR  82  -7.632  -5.741 -14.901
  680    HA   THR  82           HA       THR  82  -9.550  -7.587 -13.599
  681    HB   THR  82           HB       THR  82  -8.084  -6.753 -11.577
  682    HG1  THR  82           1HG      THR  82  -6.456  -5.522 -12.078
  683   1HG2  THR  82          1HG2      THR  82  -6.307  -8.149 -13.462
  684   2HG2  THR  82          2HG2      THR  82  -7.912  -8.866 -13.323
  685   3HG2  THR  82          3HG2      THR  82  -6.908  -8.665 -11.886
  686    H    VAL  83           H        VAL  83 -11.376  -6.875 -12.589
  687    HA   VAL  83           HA       VAL  83 -11.596  -3.959 -11.920
  688    HB   VAL  83           HB       VAL  83 -12.872  -4.511 -13.928
  689   1HG1  VAL  83          1HG1      VAL  83 -13.374  -6.971 -12.502
  690   2HG1  VAL  83          2HG1      VAL  83 -13.673  -6.594 -14.199
  691   3HG1  VAL  83          3HG1      VAL  83 -14.903  -6.240 -12.986
  692   1HG2  VAL  83          1HG2      VAL  83 -13.860  -3.119 -11.908
  693   2HG2  VAL  83          2HG2      VAL  83 -14.994  -4.465 -11.807
  694   3HG2  VAL  83          3HG2      VAL  83 -14.877  -3.520 -13.291
  695    H    ILE  84           H        ILE  84 -10.988  -4.465  -9.711
  696    HA   ILE  84           HA       ILE  84 -13.201  -5.731  -8.139
  697    HB   ILE  84           HB       ILE  84 -11.096  -7.172  -8.659
  698   1HG1  ILE  84          2HG1      ILE  84 -11.426  -6.977  -5.706
  699   2HG1  ILE  84          1HG1      ILE  84 -12.892  -7.249  -6.647
  700   1HG2  ILE  84          1HG2      ILE  84  -9.134  -6.770  -7.362
  701   2HG2  ILE  84          2HG2      ILE  84  -9.936  -5.532  -6.397
  702   3HG2  ILE  84          3HG2      ILE  84  -9.548  -5.217  -8.087
  703   1HD1  ILE  84          1HD1      ILE  84 -11.724  -9.366  -5.922
  704   2HD1  ILE  84          2HD1      ILE  84 -10.375  -8.904  -6.961
  705   3HD1  ILE  84          3HD1      ILE  84 -11.959  -9.228  -7.665
  706    H    GLU  85           H        GLU  85 -12.889  -5.136  -5.710
  707    HA   GLU  85           HA       GLU  85 -12.324  -2.232  -5.549
  708   1HB   GLU  85          2HB       GLU  85 -14.411  -2.997  -4.641
  709   2HB   GLU  85          1HB       GLU  85 -13.621  -4.298  -3.754
  710   1HG   GLU  85          2HG       GLU  85 -13.171  -2.950  -2.003
  711   2HG   GLU  85          1HG       GLU  85 -12.514  -1.694  -3.049
  712    H    ARG  86           H        ARG  86 -10.093  -1.943  -5.345
  713    HA   ARG  86           HA       ARG  86  -8.431  -3.677  -3.667
  714   1HB   ARG  86          2HB       ARG  86  -8.156  -1.590  -5.662
  715   2HB   ARG  86          1HB       ARG  86  -7.099  -1.261  -4.288
  716   1HG   ARG  86          2HG       ARG  86  -6.201  -3.565  -4.437
  717   2HG   ARG  86          1HG       ARG  86  -7.227  -3.865  -5.839
  718   1HD   ARG  86          2HD       ARG  86  -5.313  -1.527  -5.813
  719   2HD   ARG  86          1HD       ARG  86  -4.775  -3.142  -6.296
  720    HE   ARG  86           HE       ARG  86  -7.083  -1.728  -7.586
  721   1HH1  ARG  86          1HH2      ARG  86  -4.372  -3.933  -7.721
  722   2HH1  ARG  86          2HH2      ARG  86  -4.548  -4.213  -9.415
  723   1HH2  ARG  86          1HH1      ARG  86  -7.280  -2.114  -9.779
  724   2HH2  ARG  86          2HH1      ARG  86  -6.186  -3.194 -10.575
  725    H    THR  87           H        THR  87  -9.131  -3.503  -1.505
  726    HA   THR  87           HA       THR  87  -8.830  -0.793  -0.248
  727    HB   THR  87           HB       THR  87 -10.884  -2.947   0.368
  728    HG1  THR  87           1HG      THR  87 -10.943  -0.611  -1.200
  729   1HG2  THR  87          1HG2      THR  87 -10.345  -1.605   2.323
  730   2HG2  THR  87          2HG2      THR  87 -11.931  -1.130   1.718
  731   3HG2  THR  87          3HG2      THR  87 -10.525  -0.119   1.390
  732    H    PHE  88           H        PHE  88  -7.684  -0.799   1.706
  733    HA   PHE  88           HA       PHE  88  -7.010  -3.456   2.900
  734   1HB   PHE  88          2HB       PHE  88  -4.752  -3.106   2.649
  735   2HB   PHE  88          1HB       PHE  88  -5.295  -2.130   1.292
  736    HD1  PHE  88           1HD      PHE  88  -4.626   0.112   1.150
  737    HD2  PHE  88           2HD      PHE  88  -4.560  -1.868   4.963
  738    HE1  PHE  88           1HE      PHE  88  -3.528   2.091   2.164
  739    HE2  PHE  88           2HE      PHE  88  -3.476   0.115   5.973
  740    HZ   PHE  88           HZ       PHE  88  -2.952   2.091   4.579
  741    H    HIS  89           H        HIS  89  -6.710  -3.409   5.169
  742    HA   HIS  89           HA       HIS  89  -7.769  -0.959   6.525
  743   1HB   HIS  89          2HB       HIS  89  -7.622  -3.904   7.235
  744   2HB   HIS  89          1HB       HIS  89  -8.198  -2.673   8.355
  745    HD1  HIS  89           1HD      HIS  89 -10.534  -3.997   8.209
  746    HD2  HIS  89           2HD      HIS  89  -9.356  -2.060   4.713
  747    HE1  HIS  89           1HE      HIS  89 -12.587  -3.865   6.736
  748    H    VAL  90           H        VAL  90  -6.687  -0.227   8.477
  749    HA   VAL  90           HA       VAL  90  -3.778  -0.896   8.524
  750    HB   VAL  90           HB       VAL  90  -3.637   1.213   9.845
  751   1HG1  VAL  90          1HG1      VAL  90  -3.390   1.509   7.509
  752   2HG1  VAL  90          2HG1      VAL  90  -4.593   2.710   7.977
  753   3HG1  VAL  90          3HG1      VAL  90  -5.101   1.210   7.205
  754   1HG2  VAL  90          1HG2      VAL  90  -6.271   0.724  10.481
  755   2HG2  VAL  90          2HG2      VAL  90  -6.424   1.987   9.260
  756   3HG2  VAL  90          3HG2      VAL  90  -5.459   2.273  10.704
  757    H    ASP  91           H        ASP  91  -2.731  -1.231  10.644
  758    HA   ASP  91           HA       ASP  91  -4.208  -3.070  12.341
  759   1HB   ASP  91          2HB       ASP  91  -1.478  -1.826  12.237
  760   2HB   ASP  91          1HB       ASP  91  -1.971  -2.655  13.714
  761    H    SER  92           H        SER  92  -3.431   0.379  12.538
  762    HA   SER  92           HA       SER  92  -5.223   0.611  14.898
  763   1HB   SER  92          2HB       SER  92  -3.535   1.544  16.284
  764   2HB   SER  92          1HB       SER  92  -2.732   0.189  15.499
  765    HG   SER  92           HG       SER  92  -1.448   2.037  15.349
  766    HA   PRO  93           HA       PRO  93  -6.324   4.462  13.076
  767   1HB   PRO  93          2HB       PRO  93  -6.432   6.198  15.198
  768   2HB   PRO  93          1HB       PRO  93  -7.655   4.946  14.902
  769   1HG   PRO  93          2HG       PRO  93  -5.347   4.926  16.789
  770   2HG   PRO  93          1HG       PRO  93  -7.003   4.344  17.027
  771   1HD   PRO  93          2HD       PRO  93  -4.939   2.679  16.494
  772   2HD   PRO  93          1HD       PRO  93  -6.600   2.348  15.953
  773    H    ASP  94           H        ASP  94  -3.613   4.738  15.385
  774    HA   ASP  94           HA       ASP  94  -2.496   7.173  14.343
  775   1HB   ASP  94          2HB       ASP  94  -1.670   4.884  16.076
  776   2HB   ASP  94          1HB       ASP  94  -0.382   5.900  15.428
  777    H    GLU  95           H        GLU  95  -2.067   3.741  13.457
  778    HA   GLU  95           HA       GLU  95   0.177   4.117  11.683
  779   1HB   GLU  95          2HB       GLU  95  -1.097   2.004  12.769
  780   2HB   GLU  95          1HB       GLU  95  -1.870   1.996  11.184
  781   1HG   GLU  95          2HG       GLU  95   0.007   0.651  10.807
  782   2HG   GLU  95          1HG       GLU  95   0.584   2.234  10.283
  783    H    ARG  96           H        ARG  96  -3.358   3.958  11.090
  784    HA   ARG  96           HA       ARG  96  -3.347   4.277   8.269
  785   1HB   ARG  96          2HB       ARG  96  -5.410   3.759   9.200
  786   2HB   ARG  96          1HB       ARG  96  -5.187   4.850  10.562
  787   1HG   ARG  96          2HG       ARG  96  -5.340   6.187   7.929
  788   2HG   ARG  96          1HG       ARG  96  -6.819   5.367   8.427
  789   1HD   ARG  96          2HD       ARG  96  -6.315   6.577  10.748
  790   2HD   ARG  96          1HD       ARG  96  -5.429   7.700   9.697
  791    HE   ARG  96           HE       ARG  96  -8.081   6.991   8.679
  792   1HH1  ARG  96          1HH2      ARG  96  -6.231   9.131  10.707
  793   2HH1  ARG  96          2HH2      ARG  96  -7.386  10.414  10.610
  794   1HH2  ARG  96          1HH1      ARG  96  -9.578   8.667   8.553
  795   2HH2  ARG  96          2HH1      ARG  96  -9.278  10.156   9.388
  796    H    GLU  97           H        GLU  97  -3.255   6.744  10.852
  797    HA   GLU  97           HA       GLU  97  -3.396   9.064   9.179
  798   1HB   GLU  97          2HB       GLU  97  -3.607   8.729  11.744
  799   2HB   GLU  97          1HB       GLU  97  -1.846   8.830  11.764
  800   1HG   GLU  97          2HG       GLU  97  -2.879  10.964  10.137
  801   2HG   GLU  97          1HG       GLU  97  -3.703  10.979  11.697
  802    H    GLU  98           H        GLU  98  -0.634   7.113  10.314
  803    HA   GLU  98           HA       GLU  98   1.438   8.800   9.220
  804   1HB   GLU  98          2HB       GLU  98   1.504   6.892  10.982
  805   2HB   GLU  98          1HB       GLU  98   1.577   5.803   9.595
  806   1HG   GLU  98          2HG       GLU  98   3.437   8.021   9.297
  807   2HG   GLU  98          1HG       GLU  98   3.742   7.125  10.783
  808    H    TRP  99           H        TRP  99  -0.350   5.978   7.959
  809    HA   TRP  99           HA       TRP  99   1.106   5.589   5.537
  810   1HB   TRP  99          2HB       TRP  99  -1.784   5.143   6.335
  811   2HB   TRP  99          1HB       TRP  99  -1.125   4.582   4.798
  812    HD1  TRP  99           HD       TRP  99  -1.921   3.155   7.894
  813    HE1  TRP  99           1HE      TRP  99  -0.360   1.230   8.577
  814    HE3  TRP  99           3HE      TRP  99   1.984   4.018   4.719
  815    HZ2  TRP  99           2HZ      TRP  99   2.204   0.180   7.866
  816    HZ3  TRP  99           3HZ      TRP  99   3.974   2.540   4.744
  817    HH2  TRP  99           HH       TRP  99   4.085   0.625   6.313
  818    H    MET 100           H        MET 100  -1.760   7.636   6.208
  819    HA   MET 100           HA       MET 100  -2.141   8.664   3.570
  820   1HB   MET 100          2HB       MET 100  -3.678   8.868   5.546
  821   2HB   MET 100          1HB       MET 100  -2.555  10.025   6.260
  822   1HG   MET 100          2HG       MET 100  -4.390  11.189   5.092
  823   2HG   MET 100          1HG       MET 100  -2.843  11.511   4.311
  824   1HE   MET 100          1HE       MET 100  -3.842  12.176   1.848
  825   2HE   MET 100          2HE       MET 100  -3.349  10.807   0.855
  826   3HE   MET 100          3HE       MET 100  -2.329  11.327   2.193
  827    H    ARG 101           H        ARG 101  -0.054   9.724   6.246
  828    HA   ARG 101           HA       ARG 101   0.960  12.142   5.095
  829   1HB   ARG 101          2HB       ARG 101   1.123  11.060   7.480
  830   2HB   ARG 101          1HB       ARG 101   2.560  10.268   6.834
  831   1HG   ARG 101          2HG       ARG 101   3.767  12.205   6.785
  832   2HG   ARG 101          1HG       ARG 101   2.380  13.171   6.281
  833   1HD   ARG 101          2HD       ARG 101   2.756  13.947   8.472
  834   2HD   ARG 101          1HD       ARG 101   1.518  12.703   8.732
  835    HE   ARG 101           HE       ARG 101   3.987  11.355   8.805
  836   1HH1  ARG 101          1HH2      ARG 101   2.384  13.899  10.557
  837   2HH1  ARG 101          2HH2      ARG 101   3.187  13.542  12.047
  838   1HH2  ARG 101          1HH1      ARG 101   5.021  10.893  10.756
  839   2HH2  ARG 101          2HH1      ARG 101   4.674  11.844  12.160
  840    H    ALA 102           H        ALA 102   2.180   8.777   4.981
  841    HA   ALA 102           HA       ALA 102   4.543   9.277   3.443
  842   1HB   ALA 102          1HB       ALA 102   2.953   6.758   3.132
  843   2HB   ALA 102          2HB       ALA 102   3.518   7.184   4.748
  844   3HB   ALA 102          3HB       ALA 102   4.678   6.960   3.439
  845    H    ILE 103           H        ILE 103   1.222   8.403   2.436
  846    HA   ILE 103           HA       ILE 103   1.669   8.177  -0.368
  847    HB   ILE 103           HB       ILE 103  -0.716   9.101   1.276
  848   1HG1  ILE 103          2HG1      ILE 103  -0.347   6.430  -0.076
  849   2HG1  ILE 103          1HG1      ILE 103   0.362   6.732   1.509
  850   1HG2  ILE 103          1HG2      ILE 103  -2.074   8.510  -0.714
  851   2HG2  ILE 103          2HG2      ILE 103  -0.594   8.212  -1.625
  852   3HG2  ILE 103          3HG2      ILE 103  -0.968   9.841  -1.059
  853   1HD1  ILE 103          1HD1      ILE 103  -2.111   7.658   1.990
  854   2HD1  ILE 103          2HD1      ILE 103  -1.687   5.959   2.203
  855   3HD1  ILE 103          3HD1      ILE 103  -2.502   6.487   0.731
  856    H    GLN 104           H        GLN 104   0.927  11.030   1.649
  857    HA   GLN 104           HA       GLN 104   0.713  12.933  -0.504
  858   1HB   GLN 104          2HB       GLN 104  -0.134  13.249   1.803
  859   2HB   GLN 104          1HB       GLN 104   1.521  13.248   2.409
  860   1HG   GLN 104          2HG       GLN 104   0.718  15.555   2.170
  861   2HG   GLN 104          1HG       GLN 104   2.016  15.245   1.020
  862   1HE2  GLN 104          1HE2      GLN 104   1.437  15.063  -1.277
  863   2HE2  GLN 104          2HE2      GLN 104  -0.076  15.587  -1.841
  864    H    MET 105           H        MET 105   3.444  11.924   1.575
  865    HA   MET 105           HA       MET 105   5.408  13.758   0.623
  866   1HB   MET 105          2HB       MET 105   5.380  11.005   1.837
  867   2HB   MET 105          1HB       MET 105   6.910  11.701   1.309
  868   1HG   MET 105          2HG       MET 105   6.849  13.394   2.896
  869   2HG   MET 105          1HG       MET 105   5.089  13.374   2.998
  870   1HE   MET 105          1HE       MET 105   7.752  10.443   3.158
  871   2HE   MET 105          2HE       MET 105   8.050  10.419   4.894
  872   3HE   MET 105          3HE       MET 105   8.425  11.867   3.963
  873    H    VAL 106           H        VAL 106   4.357  10.594  -0.639
  874    HA   VAL 106           HA       VAL 106   6.363  10.429  -2.732
  875    HB   VAL 106           HB       VAL 106   3.627   9.148  -2.374
  876   1HG1  VAL 106          1HG1      VAL 106   5.334   7.455  -3.833
  877   2HG1  VAL 106          2HG1      VAL 106   5.546   9.050  -4.553
  878   3HG1  VAL 106          3HG1      VAL 106   3.938   8.334  -4.455
  879   1HG2  VAL 106          1HG2      VAL 106   6.047   8.830  -0.939
  880   2HG2  VAL 106          2HG2      VAL 106   5.914   7.419  -1.989
  881   3HG2  VAL 106          3HG2      VAL 106   4.616   7.803  -0.859
  882    H    ALA 107           H        ALA 107   2.970  11.556  -2.602
  883    HA   ALA 107           HA       ALA 107   2.581  12.131  -5.359
  884   1HB   ALA 107          1HB       ALA 107   1.529  13.199  -2.744
  885   2HB   ALA 107          2HB       ALA 107   0.698  12.217  -3.950
  886   3HB   ALA 107          3HB       ALA 107   1.005  13.924  -4.264
  887    H    ASN 108           H        ASN 108   4.079  14.078  -2.770
  888    HA   ASN 108           HA       ASN 108   4.438  16.512  -4.247
  889   1HB   ASN 108          2HB       ASN 108   5.621  15.164  -1.842
  890   2HB   ASN 108          1HB       ASN 108   6.455  16.575  -2.493
  891   1HD2  ASN 108          1HD2      ASN 108   3.661  15.525  -0.683
  892   2HD2  ASN 108          2HD2      ASN 108   2.983  17.064  -0.457
  893    H    SER 109           H        SER 109   6.359  13.532  -4.043
  894    HA   SER 109           HA       SER 109   8.592  14.623  -5.622
  895   1HB   SER 109          2HB       SER 109   8.591  12.835  -3.743
  896   2HB   SER 109          1HB       SER 109   7.997  11.729  -4.978
  897    HG   SER 109           HG       SER 109  10.063  11.534  -5.388
  898    H    LEU 110           H        LEU 110   5.705  12.649  -6.168
  899    HA   LEU 110           HA       LEU 110   6.353  11.612  -8.761
  900   1HB   LEU 110          2HB       LEU 110   4.073  11.858  -6.941
  901   2HB   LEU 110          1HB       LEU 110   3.584  11.947  -8.631
  902    HG   LEU 110           HG       LEU 110   4.659   9.831  -9.122
  903   1HD1  LEU 110          1HD1      LEU 110   6.574   9.504  -7.919
  904   2HD1  LEU 110          2HD1      LEU 110   5.494   8.664  -6.808
  905   3HD1  LEU 110          3HD1      LEU 110   5.947  10.340  -6.499
  906   1HD2  LEU 110          1HD2      LEU 110   2.902   9.917  -6.673
  907   2HD2  LEU 110          2HD2      LEU 110   3.469   8.376  -7.319
  908   3HD2  LEU 110          3HD2      LEU 110   2.480   9.441  -8.318
  909    H    LYS 111           H        LYS 111   4.795  14.660  -7.748
  910    HA   LYS 111           HA       LYS 111   4.324  16.634  -8.946
  911   1HB   LYS 111          2HB       LYS 111   6.368  15.437 -10.850
  912   2HB   LYS 111          1HB       LYS 111   5.934  17.140 -10.723
  913   1HG   LYS 111          2HG       LYS 111   6.621  16.223  -8.106
  914   2HG   LYS 111          1HG       LYS 111   7.889  15.695  -9.212
  915   1HD   LYS 111          2HD       LYS 111   8.644  17.805  -9.516
  916   2HD   LYS 111          1HD       LYS 111   7.014  18.439  -9.737
  917   1HE   LYS 111          2HE       LYS 111   7.755  19.486  -7.735
  918   2HE   LYS 111          1HE       LYS 111   6.784  18.120  -7.150
  919   1HZ   LYS 111          1HZ       LYS 111   9.723  18.032  -7.618
  920   2HZ   LYS 111          2HZ       LYS 111   8.765  16.783  -6.975
  921   3HZ   LYS 111          3HZ       LYS 111   8.997  18.218  -6.097
  Start of MODEL    8
    1   1H    MET   1          1H        MET   1  18.165   4.660 -15.888
    2   2H    MET   1          2H        MET   1  18.347   4.743 -14.201
    3   3H    MET   1          3H        MET   1  16.820   4.979 -14.905
    4    HA   MET   1           HA       MET   1  16.925   2.641 -15.758
    5   1HB   MET   1          2HB       MET   1  19.543   2.921 -15.313
    6   2HB   MET   1          1HB       MET   1  19.112   2.240 -13.746
    7   1HG   MET   1          2HG       MET   1  18.098   0.299 -14.821
    8   2HG   MET   1          1HG       MET   1  18.390   0.995 -16.415
    9   1HE   MET   1          1HE       MET   1  20.065  -0.700 -17.609
   10   2HE   MET   1          2HE       MET   1  19.130  -1.569 -16.396
   11   3HE   MET   1          3HE       MET   1  20.860  -1.868 -16.545
   12    H    ASN   2           H        ASN   2  18.005   3.414 -12.409
   13    HA   ASN   2           HA       ASN   2  15.296   2.899 -11.369
   14   1HB   ASN   2          2HB       ASN   2  16.042   1.016  -9.957
   15   2HB   ASN   2          1HB       ASN   2  16.292   0.648 -11.662
   16   1HD2  ASN   2          1HD2      ASN   2  18.542   0.668 -12.471
   17   2HD2  ASN   2          2HD2      ASN   2  19.850   0.581 -11.393
   18    H    GLU   3           H        GLU   3  14.976   4.162  -9.568
   19    HA   GLU   3           HA       GLU   3  17.198   4.857  -7.761
   20   1HB   GLU   3          2HB       GLU   3  16.927   7.305  -8.229
   21   2HB   GLU   3          1HB       GLU   3  17.526   6.411  -9.623
   22   1HG   GLU   3          2HG       GLU   3  14.648   6.389  -9.669
   23   2HG   GLU   3          1HG       GLU   3  15.206   8.050  -9.477
   24    H    VAL   4           H        VAL   4  14.849   3.467  -7.159
   25    HA   VAL   4           HA       VAL   4  13.280   5.482  -5.579
   26    HB   VAL   4           HB       VAL   4  12.429   2.989  -7.080
   27   1HG1  VAL   4          1HG1      VAL   4  11.297   3.121  -4.870
   28   2HG1  VAL   4          2HG1      VAL   4  10.174   3.383  -6.202
   29   3HG1  VAL   4          3HG1      VAL   4  10.762   4.754  -5.262
   30   1HG2  VAL   4          1HG2      VAL   4  12.651   5.049  -8.423
   31   2HG2  VAL   4          2HG2      VAL   4  11.606   5.905  -7.289
   32   3HG2  VAL   4          3HG2      VAL   4  10.956   4.588  -8.265
   33    H    SER   5           H        SER   5  13.662   5.155  -3.431
   34    HA   SER   5           HA       SER   5  14.394   2.406  -2.482
   35   1HB   SER   5          2HB       SER   5  15.362   3.707  -0.568
   36   2HB   SER   5          1HB       SER   5  16.052   4.167  -2.122
   37    HG   SER   5           HG       SER   5  15.460   6.003  -0.924
   38    H    VAL   6           H        VAL   6  13.719   2.345   0.080
   39    HA   VAL   6           HA       VAL   6  10.770   2.554   0.078
   40    HB   VAL   6           HB       VAL   6  12.875   1.369   1.904
   41   1HG1  VAL   6          1HG1      VAL   6   9.895   1.661   2.347
   42   2HG1  VAL   6          2HG1      VAL   6  11.203   2.119   3.438
   43   3HG1  VAL   6          3HG1      VAL   6  10.851   0.415   3.150
   44   1HG2  VAL   6          1HG2      VAL   6  11.495  -0.712   1.303
   45   2HG2  VAL   6          2HG2      VAL   6  12.442  -0.001  -0.003
   46   3HG2  VAL   6          3HG2      VAL   6  10.705   0.294   0.088
   47    H    ILE   7           H        ILE   7   9.659   4.166   1.111
   48    HA   ILE   7           HA       ILE   7  11.233   6.165   2.678
   49    HB   ILE   7           HB       ILE   7   8.871   6.168   0.855
   50   1HG1  ILE   7          2HG1      ILE   7   9.922   8.233   0.077
   51   2HG1  ILE   7          1HG1      ILE   7  11.028   8.221   1.450
   52   1HG2  ILE   7          1HG2      ILE   7   7.697   7.091   2.689
   53   2HG2  ILE   7          2HG2      ILE   7   8.300   8.502   1.820
   54   3HG2  ILE   7          3HG2      ILE   7   9.121   7.949   3.280
   55   1HD1  ILE   7          1HD1      ILE   7  10.889   5.956  -0.553
   56   2HD1  ILE   7          2HD1      ILE   7  12.141   6.257   0.652
   57   3HD1  ILE   7          3HD1      ILE   7  11.982   7.328  -0.740
   58    H    LYS   8           H        LYS   8   8.263   4.166   2.826
   59    HA   LYS   8           HA       LYS   8   8.305   4.525   5.801
   60   1HB   LYS   8          2HB       LYS   8   6.158   5.172   3.809
   61   2HB   LYS   8          1HB       LYS   8   5.669   4.558   5.388
   62   1HG   LYS   8          2HG       LYS   8   7.656   6.479   5.927
   63   2HG   LYS   8          1HG       LYS   8   6.640   7.198   4.680
   64   1HD   LYS   8          2HD       LYS   8   5.433   7.810   6.556
   65   2HD   LYS   8          1HD       LYS   8   4.683   6.250   6.219
   66   1HE   LYS   8          2HE       LYS   8   5.204   5.847   8.427
   67   2HE   LYS   8          1HE       LYS   8   6.800   5.457   7.759
   68   1HZ   LYS   8          1HZ       LYS   8   6.993   7.121   9.504
   69   2HZ   LYS   8          2HZ       LYS   8   5.907   8.142   8.688
   70   3HZ   LYS   8          3HZ       LYS   8   7.426   7.792   8.006
   71    H    GLU   9           H        GLU   9   7.882   2.613   6.892
   72    HA   GLU   9           HA       GLU   9   6.801   0.307   5.306
   73   1HB   GLU   9          2HB       GLU   9   8.471  -1.088   6.577
   74   2HB   GLU   9          1HB       GLU   9   9.211   0.082   5.486
   75   1HG   GLU   9          2HG       GLU   9  10.133   1.275   7.191
   76   2HG   GLU   9          1HG       GLU   9   8.706   1.103   8.213
   77    H    GLY  10           H        GLY  10   5.328  -0.988   6.421
   78   1HA   GLY  10          2HA       GLY  10   5.062  -0.961   9.304
   79   2HA   GLY  10          1HA       GLY  10   3.822   0.029   8.541
   80    H    TRP  11           H        TRP  11   2.881  -2.081   9.914
   81    HA   TRP  11           HA       TRP  11   2.518  -4.371   8.041
   82   1HB   TRP  11          2HB       TRP  11   2.057  -3.795  10.959
   83   2HB   TRP  11          1HB       TRP  11   1.217  -5.148  10.202
   84    HD1  TRP  11           HD       TRP  11   4.733  -3.888  11.039
   85    HE1  TRP  11           1HE      TRP  11   6.369  -5.876  10.933
   86    HE3  TRP  11           3HE      TRP  11   1.623  -7.493   9.190
   87    HZ2  TRP  11           2HZ      TRP  11   6.360  -8.629  10.169
   88    HZ3  TRP  11           3HZ      TRP  11   2.466  -9.788   8.781
   89    HH2  TRP  11           HH       TRP  11   4.830 -10.359   9.267
   90    H    LEU  12           H        LEU  12   0.535  -4.795   7.051
   91    HA   LEU  12           HA       LEU  12  -1.782  -3.011   7.745
   92   1HB   LEU  12          2HB       LEU  12  -0.809  -3.836   4.986
   93   2HB   LEU  12          1HB       LEU  12  -2.214  -2.828   5.317
   94    HG   LEU  12           HG       LEU  12   0.637  -2.128   6.089
   95   1HD1  LEU  12          1HD1      LEU  12  -0.932  -0.583   4.075
   96   2HD1  LEU  12          2HD1      LEU  12  -0.259  -2.128   3.561
   97   3HD1  LEU  12          3HD1      LEU  12   0.806  -0.862   4.171
   98   1HD2  LEU  12          1HD2      LEU  12  -1.985  -1.070   6.812
   99   2HD2  LEU  12          2HD2      LEU  12  -0.979   0.156   6.042
  100   3HD2  LEU  12          3HD2      LEU  12  -0.402  -0.682   7.483
  101    H    HIS  13           H        HIS  13  -3.886  -3.965   7.078
  102    HA   HIS  13           HA       HIS  13  -3.831  -6.952   7.233
  103   1HB   HIS  13          2HB       HIS  13  -5.491  -4.754   8.268
  104   2HB   HIS  13          1HB       HIS  13  -6.437  -6.085   7.603
  105    HD1  HIS  13           1HD      HIS  13  -6.856  -7.943   9.214
  106    HD2  HIS  13           2HD      HIS  13  -3.361  -5.866  10.144
  107    HE1  HIS  13           1HE      HIS  13  -5.934  -8.997  11.325
  108    H    LYS  14           H        LYS  14  -4.413  -8.103   5.433
  109    HA   LYS  14           HA       LYS  14  -5.953  -6.690   3.273
  110   1HB   LYS  14          2HB       LYS  14  -3.504  -7.153   2.847
  111   2HB   LYS  14          1HB       LYS  14  -3.868  -8.874   2.973
  112   1HG   LYS  14          2HG       LYS  14  -5.752  -7.611   1.186
  113   2HG   LYS  14          1HG       LYS  14  -4.104  -7.236   0.681
  114   1HD   LYS  14          2HD       LYS  14  -3.525  -9.622   0.728
  115   2HD   LYS  14          1HD       LYS  14  -5.156 -10.017   1.272
  116   1HE   LYS  14          2HE       LYS  14  -5.673  -8.504  -0.973
  117   2HE   LYS  14          1HE       LYS  14  -4.199  -9.375  -1.442
  118   1HZ   LYS  14          1HZ       LYS  14  -5.239 -11.425  -0.576
  119   2HZ   LYS  14          2HZ       LYS  14  -6.095 -10.765  -1.887
  120   3HZ   LYS  14          3HZ       LYS  14  -6.678 -10.565  -0.302
  121    H    ARG  15           H        ARG  15  -7.779  -7.759   2.569
  122    HA   ARG  15           HA       ARG  15  -8.662 -10.166   3.987
  123   1HB   ARG  15          2HB       ARG  15  -9.939  -8.038   3.088
  124   2HB   ARG  15          1HB       ARG  15 -10.024  -8.968   1.593
  125   1HG   ARG  15          2HG       ARG  15 -10.704 -10.634   3.866
  126   2HG   ARG  15          1HG       ARG  15 -11.725  -9.197   3.823
  127   1HD   ARG  15          2HD       ARG  15 -12.962 -10.342   2.282
  128   2HD   ARG  15          1HD       ARG  15 -11.640  -9.978   1.154
  129    HE   ARG  15           HE       ARG  15 -11.023 -12.283   2.806
  130   1HH1  ARG  15          1HH2      ARG  15 -12.779 -11.201   0.002
  131   2HH1  ARG  15          2HH2      ARG  15 -12.759 -12.756  -0.754
  132   1HH2  ARG  15          1HH1      ARG  15 -11.018 -14.305   1.815
  133   2HH2  ARG  15          2HH1      ARG  15 -11.774 -14.508   0.272
  134    H    GLY  16           H        GLY  16  -8.611 -12.262   3.205
  135   1HA   GLY  16          2HA       GLY  16  -8.485 -12.883   0.373
  136   2HA   GLY  16          1HA       GLY  16  -6.922 -13.117   1.157
  137    H    GLU  17           H        GLU  17  -7.033 -15.402   0.821
  138    HA   GLU  17           HA       GLU  17  -7.463 -17.614   1.508
  139   1HB   GLU  17          2HB       GLU  17  -7.459 -16.016   3.729
  140   2HB   GLU  17          1HB       GLU  17  -9.067 -16.734   3.842
  141   1HG   GLU  17          2HG       GLU  17  -7.427 -18.877   3.137
  142   2HG   GLU  17          1HG       GLU  17  -6.456 -17.964   4.292
  143    H    TYR  18           H        TYR  18  -9.565 -18.954   2.457
  144    HA   TYR  18           HA       TYR  18 -11.778 -18.260   0.577
  145   1HB   TYR  18          2HB       TYR  18 -12.402 -20.668   0.963
  146   2HB   TYR  18          1HB       TYR  18 -10.783 -20.460   0.305
  147    HD1  TYR  18           1HD      TYR  18 -12.639 -20.936   3.523
  148    HD2  TYR  18           2HD      TYR  18  -8.907 -21.339   1.432
  149    HE1  TYR  18           1HE      TYR  18 -11.691 -22.174   5.450
  150    HE2  TYR  18           2HE      TYR  18  -7.960 -22.576   3.360
  151    HH   TYR  18           HH       TYR  18  -8.783 -22.506   6.164
  152    H    ILE  19           H        ILE  19 -11.041 -18.051   3.905
  153    HA   ILE  19           HA       ILE  19 -13.818 -18.460   4.829
  154    HB   ILE  19           HB       ILE  19 -11.636 -19.155   6.000
  155   1HG1  ILE  19          2HG1      ILE  19 -12.645 -18.050   8.256
  156   2HG1  ILE  19          1HG1      ILE  19 -14.010 -17.800   7.167
  157   1HG2  ILE  19          1HG2      ILE  19 -10.152 -17.589   6.637
  158   2HG2  ILE  19          2HG2      ILE  19 -11.411 -16.639   7.424
  159   3HG2  ILE  19          3HG2      ILE  19 -11.080 -16.413   5.707
  160   1HD1  ILE  19          1HD1      ILE  19 -13.683 -20.281   6.509
  161   2HD1  ILE  19          2HD1      ILE  19 -14.407 -19.942   8.081
  162   3HD1  ILE  19          3HD1      ILE  19 -12.706 -20.397   7.971
  163    H    LYS  20           H        LYS  20 -12.275 -15.931   3.295
  164    HA   LYS  20           HA       LYS  20 -12.763 -13.639   3.087
  165   1HB   LYS  20          2HB       LYS  20 -15.080 -14.930   3.227
  166   2HB   LYS  20          1HB       LYS  20 -15.213 -14.078   4.765
  167   1HG   LYS  20          2HG       LYS  20 -15.111 -11.949   3.726
  168   2HG   LYS  20          1HG       LYS  20 -14.494 -12.624   2.217
  169   1HD   LYS  20          2HD       LYS  20 -16.589 -12.880   1.445
  170   2HD   LYS  20          1HD       LYS  20 -16.993 -13.894   2.830
  171   1HE   LYS  20          2HE       LYS  20 -17.261 -11.671   4.142
  172   2HE   LYS  20          1HE       LYS  20 -17.315 -10.901   2.544
  173   1HZ   LYS  20          1HZ       LYS  20 -19.051 -12.470   1.893
  174   2HZ   LYS  20          2HZ       LYS  20 -19.535 -11.556   3.242
  175   3HZ   LYS  20          3HZ       LYS  20 -19.025 -13.164   3.442
  176    H    THR  21           H        THR  21 -10.857 -13.562   4.731
  177    HA   THR  21           HA       THR  21 -11.746 -11.969   7.097
  178    HB   THR  21           HB       THR  21  -9.787 -14.293   7.125
  179    HG1  THR  21           1HG      THR  21 -12.459 -13.958   7.965
  180   1HG2  THR  21          1HG2      THR  21 -10.734 -12.397   9.287
  181   2HG2  THR  21          2HG2      THR  21  -9.081 -12.631   8.719
  182   3HG2  THR  21          3HG2      THR  21  -9.893 -13.911   9.619
  183    H    TRP  22           H        TRP  22 -10.054 -10.532   7.881
  184    HA   TRP  22           HA       TRP  22  -8.121  -9.750   5.770
  185   1HB   TRP  22          2HB       TRP  22  -9.052  -8.500   8.376
  186   2HB   TRP  22          1HB       TRP  22  -7.890  -7.745   7.289
  187    HD1  TRP  22           HD       TRP  22 -11.560  -8.852   7.442
  188    HE1  TRP  22           1HE      TRP  22 -12.887  -7.549   5.659
  189    HE3  TRP  22           3HE      TRP  22  -7.733  -6.422   5.089
  190    HZ2  TRP  22           2HZ      TRP  22 -12.398  -5.717   3.524
  191    HZ3  TRP  22           3HZ      TRP  22  -8.192  -4.907   3.182
  192    HH2  TRP  22           HH       TRP  22 -10.518  -4.552   2.399
  193    H    ARG  23           H        ARG  23  -6.033 -10.467   5.904
  194    HA   ARG  23           HA       ARG  23  -5.026 -11.463   8.539
  195   1HB   ARG  23          2HB       ARG  23  -5.114 -12.544   5.972
  196   2HB   ARG  23          1HB       ARG  23  -3.439 -12.022   6.144
  197   1HG   ARG  23          2HG       ARG  23  -3.753 -14.348   6.941
  198   2HG   ARG  23          1HG       ARG  23  -3.239 -13.279   8.246
  199   1HD   ARG  23          2HD       ARG  23  -5.048 -14.008   9.415
  200   2HD   ARG  23          1HD       ARG  23  -6.061 -13.140   8.247
  201    HE   ARG  23           HE       ARG  23  -6.450 -15.184   7.092
  202   1HH1  ARG  23          1HH2      ARG  23  -3.991 -15.532   9.536
  203   2HH1  ARG  23          2HH2      ARG  23  -3.987 -17.258   9.451
  204   1HH2  ARG  23          1HH1      ARG  23  -6.437 -17.438   6.999
  205   2HH2  ARG  23          2HH1      ARG  23  -5.361 -18.333   8.021
  206    HA   PRO  24           HA       PRO  24  -2.279  -8.007   8.697
  207   1HB   PRO  24          2HB       PRO  24  -0.513  -8.991  10.543
  208   2HB   PRO  24          1HB       PRO  24  -2.135  -8.409  10.967
  209   1HG   PRO  24          2HG       PRO  24  -1.156 -11.195  10.615
  210   2HG   PRO  24          1HG       PRO  24  -2.302 -10.541  11.794
  211   1HD   PRO  24          2HD       PRO  24  -3.050 -11.931   9.568
  212   2HD   PRO  24          1HD       PRO  24  -4.075 -10.716  10.364
  213    H    ARG  25           H        ARG  25  -0.908  -7.627   7.019
  214    HA   ARG  25           HA       ARG  25   1.337  -9.553   6.501
  215   1HB   ARG  25          2HB       ARG  25  -0.760  -8.341   4.783
  216   2HB   ARG  25          1HB       ARG  25   0.865  -8.321   4.100
  217   1HG   ARG  25          2HG       ARG  25   0.039 -10.397   3.386
  218   2HG   ARG  25          1HG       ARG  25   0.948 -10.822   4.837
  219   1HD   ARG  25          2HD       ARG  25  -0.970 -11.242   6.082
  220   2HD   ARG  25          1HD       ARG  25  -1.951 -10.102   5.141
  221    HE   ARG  25           HE       ARG  25  -2.299 -11.788   3.505
  222   1HH1  ARG  25          1HH2      ARG  25   0.201 -12.699   5.753
  223   2HH1  ARG  25          2HH2      ARG  25   0.221 -14.351   5.242
  224   1HH2  ARG  25          1HH1      ARG  25  -2.264 -13.943   2.851
  225   2HH2  ARG  25          2HH1      ARG  25  -1.164 -15.053   3.596
  226    H    TYR  26           H        TYR  26   3.366  -8.564   6.148
  227    HA   TYR  26           HA       TYR  26   3.722  -5.843   7.131
  228   1HB   TYR  26          2HB       TYR  26   5.303  -7.716   7.496
  229   2HB   TYR  26          1HB       TYR  26   5.594  -7.800   5.761
  230    HD1  TYR  26           1HD      TYR  26   7.739  -7.031   5.302
  231    HD2  TYR  26           2HD      TYR  26   5.312  -4.902   8.137
  232    HE1  TYR  26           1HE      TYR  26   9.496  -5.295   5.503
  233    HE2  TYR  26           2HE      TYR  26   7.070  -3.165   8.334
  234    HH   TYR  26           HH       TYR  26   9.897  -3.346   7.823
  235    H    PHE  27           H        PHE  27   4.034  -3.967   5.904
  236    HA   PHE  27           HA       PHE  27   4.066  -4.287   2.914
  237   1HB   PHE  27          2HB       PHE  27   2.314  -2.816   4.787
  238   2HB   PHE  27          1HB       PHE  27   2.818  -1.897   3.371
  239    HD1  PHE  27           1HD      PHE  27   2.166  -2.580   1.119
  240    HD2  PHE  27           2HD      PHE  27   0.969  -4.857   4.558
  241    HE1  PHE  27           1HE      PHE  27   0.500  -3.789  -0.262
  242    HE2  PHE  27           2HE      PHE  27  -0.695  -6.069   3.176
  243    HZ   PHE  27           HZ       PHE  27  -0.930  -5.533   0.766
  244    H    LEU  28           H        LEU  28   5.492  -2.979   1.802
  245    HA   LEU  28           HA       LEU  28   7.113  -1.009   3.399
  246   1HB   LEU  28          2HB       LEU  28   7.864  -2.930   1.170
  247   2HB   LEU  28          1HB       LEU  28   8.941  -1.664   1.760
  248    HG   LEU  28           HG       LEU  28   8.131  -2.879   4.102
  249   1HD1  LEU  28          1HD1      LEU  28   8.791  -5.359   3.373
  250   2HD1  LEU  28          2HD1      LEU  28   8.076  -4.842   1.846
  251   3HD1  LEU  28          3HD1      LEU  28   7.117  -4.807   3.326
  252   1HD2  LEU  28          1HD2      LEU  28  10.437  -2.182   3.350
  253   2HD2  LEU  28          2HD2      LEU  28  10.532  -3.685   2.432
  254   3HD2  LEU  28          3HD2      LEU  28  10.399  -3.733   4.189
  255    H    LEU  29           H        LEU  29   6.860   1.061   2.639
  256    HA   LEU  29           HA       LEU  29   5.644   1.482  -0.048
  257   1HB   LEU  29          2HB       LEU  29   4.861   2.444   2.244
  258   2HB   LEU  29          1HB       LEU  29   6.207   3.567   2.055
  259    HG   LEU  29           HG       LEU  29   4.600   3.302  -0.383
  260   1HD1  LEU  29          1HD1      LEU  29   3.315   4.450   2.114
  261   2HD1  LEU  29          2HD1      LEU  29   2.802   2.983   1.281
  262   3HD1  LEU  29          3HD1      LEU  29   2.657   4.547   0.480
  263   1HD2  LEU  29          1HD2      LEU  29   5.391   5.646   1.381
  264   2HD2  LEU  29          2HD2      LEU  29   4.707   5.774  -0.239
  265   3HD2  LEU  29          3HD2      LEU  29   6.299   5.051  -0.009
  266    H    LYS  30           H        LYS  30   6.842   2.269  -1.718
  267    HA   LYS  30           HA       LYS  30   9.666   3.074  -1.198
  268   1HB   LYS  30          2HB       LYS  30   8.111   2.295  -3.685
  269   2HB   LYS  30          1HB       LYS  30   9.828   2.695  -3.675
  270   1HG   LYS  30          2HG       LYS  30   9.072   0.700  -1.648
  271   2HG   LYS  30          1HG       LYS  30   8.801   0.164  -3.306
  272   1HD   LYS  30          2HD       LYS  30  11.392   1.516  -2.637
  273   2HD   LYS  30          1HD       LYS  30  11.166  -0.167  -2.160
  274   1HE   LYS  30          2HE       LYS  30  10.461  -0.631  -4.575
  275   2HE   LYS  30          1HE       LYS  30  11.067   0.991  -4.961
  276   1HZ   LYS  30          1HZ       LYS  30  12.824  -0.650  -5.212
  277   2HZ   LYS  30          2HZ       LYS  30  12.608  -1.167  -3.608
  278   3HZ   LYS  30          3HZ       LYS  30  13.184   0.401  -3.930
  279    H    SER  31           H        SER  31  10.465   4.839  -2.799
  280    HA   SER  31           HA       SER  31   8.872   7.260  -2.393
  281   1HB   SER  31          2HB       SER  31  11.553   6.557  -2.758
  282   2HB   SER  31          1HB       SER  31  11.141   7.446  -4.221
  283    HG   SER  31           HG       SER  31  10.700   9.202  -3.044
  284    H    ASP  32           H        ASP  32   8.614   4.850  -4.701
  285    HA   ASP  32           HA       ASP  32   8.206   6.518  -7.083
  286   1HB   ASP  32          2HB       ASP  32   9.086   4.316  -7.376
  287   2HB   ASP  32          1HB       ASP  32   7.867   3.606  -6.323
  288    H    GLY  33           H        GLY  33   6.342   5.783  -4.325
  289   1HA   GLY  33          2HA       GLY  33   4.145   6.650  -3.921
  290   2HA   GLY  33          1HA       GLY  33   3.887   6.759  -5.664
  291    H    SER  34           H        SER  34   5.237   3.882  -4.183
  292    HA   SER  34           HA       SER  34   2.624   2.463  -4.339
  293   1HB   SER  34          2HB       SER  34   5.156   1.709  -5.841
  294   2HB   SER  34          1HB       SER  34   3.678   0.752  -5.802
  295    HG   SER  34           HG       SER  34   4.300   3.001  -7.244
  296    H    PHE  35           H        PHE  35   2.566   0.630  -2.962
  297    HA   PHE  35           HA       PHE  35   5.087   0.005  -1.483
  298   1HB   PHE  35          2HB       PHE  35   3.576  -0.211   0.575
  299   2HB   PHE  35          1HB       PHE  35   3.888   1.419   0.004
  300    HD1  PHE  35           1HD      PHE  35   2.123   2.581  -1.430
  301    HD2  PHE  35           2HD      PHE  35   1.373  -1.072   0.701
  302    HE1  PHE  35           1HE      PHE  35  -0.316   2.993  -1.580
  303    HE2  PHE  35           2HE      PHE  35  -1.065  -0.663   0.545
  304    HZ   PHE  35           HZ       PHE  35  -1.912   1.371  -0.591
  305    H    ILE  36           H        ILE  36   5.467  -2.146  -1.230
  306    HA   ILE  36           HA       ILE  36   3.445  -4.049  -2.343
  307    HB   ILE  36           HB       ILE  36   6.400  -4.385  -1.707
  308   1HG1  ILE  36          2HG1      ILE  36   6.152  -2.639  -3.385
  309   2HG1  ILE  36          1HG1      ILE  36   6.698  -4.110  -4.188
  310   1HG2  ILE  36          1HG2      ILE  36   6.237  -6.308  -3.243
  311   2HG2  ILE  36          2HG2      ILE  36   4.513  -5.999  -3.450
  312   3HG2  ILE  36          3HG2      ILE  36   5.138  -6.497  -1.877
  313   1HD1  ILE  36          1HD1      ILE  36   4.252  -4.607  -4.688
  314   2HD1  ILE  36          2HD1      ILE  36   4.930  -3.220  -5.541
  315   3HD1  ILE  36          3HD1      ILE  36   3.895  -2.971  -4.136
  316    H    GLY  37           H        GLY  37   2.802  -5.875  -1.119
  317   1HA   GLY  37          2HA       GLY  37   3.445  -5.735   1.795
  318   2HA   GLY  37          1HA       GLY  37   1.921  -6.334   1.147
  319    H    TYR  38           H        TYR  38   4.092  -7.567   2.856
  320    HA   TYR  38           HA       TYR  38   4.613 -10.027   1.207
  321   1HB   TYR  38          2HB       TYR  38   6.162  -8.439   3.226
  322   2HB   TYR  38          1HB       TYR  38   6.414 -10.181   3.193
  323    HD1  TYR  38           1HD      TYR  38   6.614  -7.066   1.180
  324    HD2  TYR  38           2HD      TYR  38   7.605 -11.240   1.407
  325    HE1  TYR  38           1HE      TYR  38   8.142  -6.809  -0.755
  326    HE2  TYR  38           2HE      TYR  38   9.128 -10.985  -0.529
  327    HH   TYR  38           HH       TYR  38   9.724  -9.594  -2.252
  328    H    LYS  39           H        LYS  39   4.277 -12.064   2.358
  329    HA   LYS  39           HA       LYS  39   2.067 -12.189   4.153
  330   1HB   LYS  39          2HB       LYS  39   2.724 -14.541   4.372
  331   2HB   LYS  39          1HB       LYS  39   2.963 -14.026   2.704
  332   1HG   LYS  39          2HG       LYS  39   5.374 -13.642   3.191
  333   2HG   LYS  39          1HG       LYS  39   5.117 -14.232   4.833
  334   1HD   LYS  39          2HD       LYS  39   4.014 -16.271   3.417
  335   2HD   LYS  39          1HD       LYS  39   5.255 -15.739   2.283
  336   1HE   LYS  39          2HE       LYS  39   6.886 -16.685   3.542
  337   2HE   LYS  39          1HE       LYS  39   6.318 -15.838   4.994
  338   1HZ   LYS  39          1HZ       LYS  39   6.034 -18.207   5.278
  339   2HZ   LYS  39          2HZ       LYS  39   5.147 -18.316   3.833
  340   3HZ   LYS  39          3HZ       LYS  39   4.511 -17.470   5.164
  341    H    GLU  40           H        GLU  40   5.518 -11.823   4.735
  342    HA   GLU  40           HA       GLU  40   4.977 -11.314   7.625
  343   1HB   GLU  40          2HB       GLU  40   5.871 -13.716   6.842
  344   2HB   GLU  40          1HB       GLU  40   7.414 -12.862   6.813
  345   1HG   GLU  40          2HG       GLU  40   7.538 -12.824   9.070
  346   2HG   GLU  40          1HG       GLU  40   5.877 -12.248   9.219
  347    H    ARG  41           H        ARG  41   7.720 -10.862   8.289
  348    HA   ARG  41           HA       ARG  41   8.375  -8.564   6.475
  349   1HB   ARG  41          2HB       ARG  41   9.369  -7.580   8.600
  350   2HB   ARG  41          1HB       ARG  41   7.619  -7.792   8.630
  351   1HG   ARG  41          2HG       ARG  41   7.801  -9.793   9.950
  352   2HG   ARG  41          1HG       ARG  41   9.549  -9.852   9.728
  353   1HD   ARG  41          2HD       ARG  41   9.833  -7.817  11.049
  354   2HD   ARG  41          1HD       ARG  41   8.072  -7.637  11.194
  355    HE   ARG  41           HE       ARG  41   8.819 -10.272  12.040
  356   1HH1  ARG  41          1HH2      ARG  41   8.992  -6.939  13.018
  357   2HH1  ARG  41          2HH2      ARG  41   9.039  -7.313  14.706
  358   1HH2  ARG  41          1HH1      ARG  41   8.882 -10.749  14.240
  359   2HH2  ARG  41          2HH1      ARG  41   8.977  -9.465  15.398
  360    HA   PRO  42           HA       PRO  42  11.993 -11.579   6.746
  361   1HB   PRO  42          2HB       PRO  42  12.029 -12.413   4.143
  362   2HB   PRO  42          1HB       PRO  42  11.097 -13.239   5.407
  363   1HG   PRO  42          2HG       PRO  42  10.175 -11.355   3.304
  364   2HG   PRO  42          1HG       PRO  42   9.373 -12.785   3.972
  365   1HD   PRO  42          2HD       PRO  42   8.752 -10.202   4.663
  366   2HD   PRO  42          1HD       PRO  42   8.453 -11.618   5.693
  367    H    GLU  43           H        GLU  43  14.107 -11.116   5.815
  368    HA   GLU  43           HA       GLU  43  14.211  -8.687   4.060
  369   1HB   GLU  43          2HB       GLU  43  16.193  -8.011   5.517
  370   2HB   GLU  43          1HB       GLU  43  14.619  -7.943   6.306
  371   1HG   GLU  43          2HG       GLU  43  15.061 -10.232   7.252
  372   2HG   GLU  43          1HG       GLU  43  16.688 -10.144   6.576
  373    H    ALA  44           H        ALA  44  15.974 -11.566   5.262
  374    HA   ALA  44           HA       ALA  44  17.523 -12.967   4.170
  375   1HB   ALA  44          1HB       ALA  44  17.097 -11.465   1.613
  376   2HB   ALA  44          2HB       ALA  44  15.717 -12.310   2.314
  377   3HB   ALA  44          3HB       ALA  44  17.175 -13.205   1.886
  378    HA   PRO  45           HA       PRO  45  21.332 -10.772   4.002
  379   1HB   PRO  45          2HB       PRO  45  22.774 -12.107   2.084
  380   2HB   PRO  45          1HB       PRO  45  22.461 -12.770   3.700
  381   1HG   PRO  45          2HG       PRO  45  21.079 -13.344   1.121
  382   2HG   PRO  45          1HG       PRO  45  21.551 -14.454   2.419
  383   1HD   PRO  45          2HD       PRO  45  19.011 -13.573   2.111
  384   2HD   PRO  45          1HD       PRO  45  19.705 -13.953   3.703
  385    H    ASP  46           H        ASP  46  20.142 -11.527   0.705
  386    HA   ASP  46           HA       ASP  46  21.078  -8.838  -0.207
  387   1HB   ASP  46          2HB       ASP  46  20.303 -11.401  -1.648
  388   2HB   ASP  46          1HB       ASP  46  20.740  -9.907  -2.477
  389    H    GLN  47           H        GLN  47  18.525 -10.623  -1.840
  390    HA   GLN  47           HA       GLN  47  16.243  -9.481  -0.542
  391   1HB   GLN  47          2HB       GLN  47  17.712  -7.557  -1.793
  392   2HB   GLN  47          1HB       GLN  47  16.636  -8.033  -3.107
  393   1HG   GLN  47          2HG       GLN  47  15.303  -6.448  -2.077
  394   2HG   GLN  47          1HG       GLN  47  14.798  -7.882  -1.186
  395   1HE2  GLN  47          1HE2      GLN  47  15.579  -8.133   1.040
  396   2HE2  GLN  47          2HE2      GLN  47  16.292  -6.837   1.871
  397    H    THR  48           H        THR  48  15.977 -11.867  -1.142
  398    HA   THR  48           HA       THR  48  14.847 -12.117  -3.910
  399    HB   THR  48           HB       THR  48  17.031 -13.279  -3.434
  400    HG1  THR  48           1HG      THR  48  16.195 -14.446  -4.949
  401   1HG2  THR  48          1HG2      THR  48  17.314 -14.676  -1.677
  402   2HG2  THR  48          2HG2      THR  48  15.740 -15.434  -1.917
  403   3HG2  THR  48          3HG2      THR  48  15.862 -13.919  -1.024
  404    H    LEU  49           H        LEU  49  13.107 -11.233  -2.116
  405    HA   LEU  49           HA       LEU  49  11.607 -13.620  -1.092
  406   1HB   LEU  49          2HB       LEU  49  11.578 -10.692  -0.284
  407   2HB   LEU  49          1HB       LEU  49  10.583 -11.946   0.454
  408    HG   LEU  49           HG       LEU  49  13.589 -12.203   0.322
  409   1HD1  LEU  49          1HD1      LEU  49  13.686 -11.267   2.588
  410   2HD1  LEU  49          2HD1      LEU  49  11.950 -10.960   2.552
  411   3HD1  LEU  49          3HD1      LEU  49  13.024 -10.076   1.469
  412   1HD2  LEU  49          1HD2      LEU  49  12.285 -14.225   0.836
  413   2HD2  LEU  49          2HD2      LEU  49  11.442 -13.368   2.126
  414   3HD2  LEU  49          3HD2      LEU  49  13.170 -13.693   2.265
  415    HA   PRO  50           HA       PRO  50   8.690 -12.543  -4.281
  416   1HB   PRO  50          2HB       PRO  50   6.772 -14.377  -3.617
  417   2HB   PRO  50          1HB       PRO  50   8.267 -14.807  -4.471
  418   1HG   PRO  50          2HG       PRO  50   7.552 -15.160  -1.612
  419   2HG   PRO  50          1HG       PRO  50   8.519 -16.196  -2.673
  420   1HD   PRO  50          2HD       PRO  50   9.561 -14.479  -0.790
  421   2HD   PRO  50          1HD       PRO  50  10.443 -15.074  -2.213
  422    HA   PRO  51           HA       PRO  51   6.173  -9.829  -1.754
  423   1HB   PRO  51          2HB       PRO  51   5.001  -8.477  -3.824
  424   2HB   PRO  51          1HB       PRO  51   6.660  -8.159  -3.277
  425   1HG   PRO  51          2HG       PRO  51   5.707  -9.723  -5.617
  426   2HG   PRO  51          1HG       PRO  51   7.114  -8.660  -5.465
  427   1HD   PRO  51          2HD       PRO  51   7.248 -11.393  -5.381
  428   2HD   PRO  51          1HD       PRO  51   8.433 -10.316  -4.610
  429    H    LEU  52           H        LEU  52   4.018  -9.965  -1.054
  430    HA   LEU  52           HA       LEU  52   2.308 -11.998  -2.414
  431   1HB   LEU  52          2HB       LEU  52   2.711 -10.914   0.331
  432   2HB   LEU  52          1HB       LEU  52   1.067 -11.402  -0.074
  433    HG   LEU  52           HG       LEU  52   2.284 -13.285   0.919
  434   1HD1  LEU  52          1HD1      LEU  52   0.753 -13.401  -1.303
  435   2HD1  LEU  52          2HD1      LEU  52   1.448 -14.834  -0.545
  436   3HD1  LEU  52          3HD1      LEU  52   2.243 -14.099  -1.938
  437   1HD2  LEU  52          1HD2      LEU  52   4.537 -12.355  -0.010
  438   2HD2  LEU  52          2HD2      LEU  52   4.142 -13.287  -1.454
  439   3HD2  LEU  52          3HD2      LEU  52   4.330 -14.103   0.097
  440    H    ASN  53           H        ASN  53   2.236  -8.622  -1.261
  441    HA   ASN  53           HA       ASN  53  -0.326  -8.233  -2.789
  442   1HB   ASN  53          2HB       ASN  53   0.674  -6.631  -0.420
  443   2HB   ASN  53          1HB       ASN  53  -0.956  -6.667  -1.080
  444   1HD2  ASN  53          1HD2      ASN  53  -1.518  -9.381  -1.284
  445   2HD2  ASN  53          2HD2      ASN  53  -1.414 -10.120   0.239
  446    H    ASN  54           H        ASN  54  -0.394  -6.479  -4.215
  447    HA   ASN  54           HA       ASN  54   2.080  -4.777  -4.403
  448   1HB   ASN  54          2HB       ASN  54   1.874  -6.475  -6.200
  449   2HB   ASN  54          1HB       ASN  54   0.269  -5.860  -6.595
  450   1HD2  ASN  54          1HD2      ASN  54   0.199  -4.214  -8.146
  451   2HD2  ASN  54          2HD2      ASN  54   1.535  -3.286  -8.632
  452    H    PHE  55           H        PHE  55   1.585  -2.636  -4.023
  453    HA   PHE  55           HA       PHE  55  -1.163  -1.675  -4.758
  454   1HB   PHE  55          2HB       PHE  55   0.008  -2.017  -2.205
  455   2HB   PHE  55          1HB       PHE  55  -0.009  -0.280  -2.505
  456    HD1  PHE  55           1HD      PHE  55  -2.213   0.769  -3.346
  457    HD2  PHE  55           2HD      PHE  55  -1.968  -3.138  -1.576
  458    HE1  PHE  55           1HE      PHE  55  -4.643   0.832  -2.869
  459    HE2  PHE  55           2HE      PHE  55  -4.402  -3.075  -1.102
  460    HZ   PHE  55           HZ       PHE  55  -5.740  -1.090  -1.748
  461    H    SER  56           H        SER  56  -1.115   0.119  -6.050
  462    HA   SER  56           HA       SER  56   1.356   1.825  -6.041
  463   1HB   SER  56          2HB       SER  56   0.029   0.280  -8.153
  464   2HB   SER  56          1HB       SER  56   0.274   1.966  -8.598
  465    HG   SER  56           HG       SER  56   2.486   1.687  -7.965
  466    H    VAL  57           H        VAL  57   0.860   3.936  -5.585
  467    HA   VAL  57           HA       VAL  57  -1.927   4.889  -6.161
  468    HB   VAL  57           HB       VAL  57  -1.214   4.505  -3.743
  469   1HG1  VAL  57          1HG1      VAL  57   0.120   6.632  -2.918
  470   2HG1  VAL  57          2HG1      VAL  57   0.750   6.617  -4.563
  471   3HG1  VAL  57          3HG1      VAL  57   0.984   5.217  -3.518
  472   1HG2  VAL  57          1HG2      VAL  57  -3.027   6.114  -4.569
  473   2HG2  VAL  57          2HG2      VAL  57  -1.843   7.401  -4.340
  474   3HG2  VAL  57          3HG2      VAL  57  -2.372   6.435  -2.963
  475    H    ALA  58           H        ALA  58   0.845   5.081  -7.654
  476    HA   ALA  58           HA       ALA  58   1.541   7.903  -7.675
  477   1HB   ALA  58          1HB       ALA  58   1.995   5.670  -9.690
  478   2HB   ALA  58          2HB       ALA  58   3.056   6.051  -8.334
  479   3HB   ALA  58          3HB       ALA  58   2.863   7.205  -9.654
  480    H    GLU  59           H        GLU  59  -0.087   5.850 -10.132
  481    HA   GLU  59           HA       GLU  59  -1.299   8.278 -11.356
  482   1HB   GLU  59          2HB       GLU  59  -0.940   5.375 -12.118
  483   2HB   GLU  59          1HB       GLU  59  -2.029   6.422 -13.028
  484   1HG   GLU  59          2HG       GLU  59  -0.282   7.282 -14.151
  485   2HG   GLU  59          1HG       GLU  59   0.430   7.832 -12.634
  486    H    CYS  60           H        CYS  60  -2.145   5.386  -9.516
  487    HA   CYS  60           HA       CYS  60  -5.040   5.709  -9.899
  488   1HB   CYS  60          2HB       CYS  60  -3.426   3.618  -9.377
  489   2HB   CYS  60          1HB       CYS  60  -3.852   4.048  -7.720
  490    H    GLN  61           H        GLN  61  -6.498   6.478  -8.309
  491    HA   GLN  61           HA       GLN  61  -5.301   8.278  -6.269
  492   1HB   GLN  61          2HB       GLN  61  -7.511   9.292  -6.260
  493   2HB   GLN  61          1HB       GLN  61  -7.038   9.021  -7.935
  494   1HG   GLN  61          2HG       GLN  61  -8.299   6.644  -7.260
  495   2HG   GLN  61          1HG       GLN  61  -9.259   7.856  -6.413
  496   1HE2  GLN  61          1HE2      GLN  61  -9.122   6.258  -9.316
  497   2HE2  GLN  61          2HE2      GLN  61  -9.841   7.425 -10.317
  498    H    LEU  62           H        LEU  62  -5.537   7.944  -4.067
  499    HA   LEU  62           HA       LEU  62  -6.866   5.397  -3.218
  500   1HB   LEU  62          2HB       LEU  62  -4.335   6.485  -2.781
  501   2HB   LEU  62          1HB       LEU  62  -5.188   6.808  -1.273
  502    HG   LEU  62           HG       LEU  62  -5.278   4.085  -2.575
  503   1HD1  LEU  62          1HD1      LEU  62  -2.941   4.401  -2.271
  504   2HD1  LEU  62          2HD1      LEU  62  -3.469   3.523  -0.836
  505   3HD1  LEU  62          3HD1      LEU  62  -3.175   5.260  -0.749
  506   1HD2  LEU  62          1HD2      LEU  62  -6.922   4.348  -0.870
  507   2HD2  LEU  62          2HD2      LEU  62  -5.804   5.217   0.180
  508   3HD2  LEU  62          3HD2      LEU  62  -5.593   3.488  -0.094
  509    H    MET  63           H        MET  63  -8.569   5.488  -1.780
  510    HA   MET  63           HA       MET  63  -9.333   8.182  -0.690
  511   1HB   MET  63          2HB       MET  63 -10.823   7.552  -2.464
  512   2HB   MET  63          1HB       MET  63 -10.942   5.899  -1.865
  513   1HG   MET  63          2HG       MET  63 -12.961   6.966  -1.182
  514   2HG   MET  63          1HG       MET  63 -11.958   6.894   0.265
  515   1HE   MET  63          1HE       MET  63 -13.541   8.813   1.342
  516   2HE   MET  63          2HE       MET  63 -14.446   8.635  -0.159
  517   3HE   MET  63          3HE       MET  63 -14.017  10.243   0.417
  518    H    LYS  64           H        LYS  64  -9.709   8.244   1.503
  519    HA   LYS  64           HA       LYS  64  -9.243   5.823   3.115
  520   1HB   LYS  64          2HB       LYS  64  -9.281   7.418   4.961
  521   2HB   LYS  64          1HB       LYS  64  -8.361   8.126   3.634
  522   1HG   LYS  64          2HG       LYS  64 -10.951   8.936   3.079
  523   2HG   LYS  64          1HG       LYS  64 -10.885   9.018   4.839
  524   1HD   LYS  64          2HD       LYS  64  -8.464  10.080   3.592
  525   2HD   LYS  64          1HD       LYS  64  -9.912  10.943   3.077
  526   1HE   LYS  64          2HE       LYS  64  -9.588  10.327   6.000
  527   2HE   LYS  64          1HE       LYS  64  -8.667  11.673   5.303
  528   1HZ   LYS  64          1HZ       LYS  64 -10.643  12.649   4.463
  529   2HZ   LYS  64          2HZ       LYS  64 -10.954  12.271   6.091
  530   3HZ   LYS  64          3HZ       LYS  64 -11.580  11.289   4.853
  531    H    THR  65           H        THR  65 -10.854   4.822   4.449
  532    HA   THR  65           HA       THR  65 -13.628   5.869   4.338
  533    HB   THR  65           HB       THR  65 -13.315   4.593   2.263
  534    HG1  THR  65           1HG      THR  65 -15.149   3.555   2.491
  535   1HG2  THR  65          1HG2      THR  65 -11.613   3.061   2.563
  536   2HG2  THR  65          2HG2      THR  65 -13.011   1.998   2.730
  537   3HG2  THR  65          3HG2      THR  65 -12.175   2.588   4.167
  538    H    GLU  66           H        GLU  66 -15.125   4.268   5.547
  539    HA   GLU  66           HA       GLU  66 -13.687   3.141   7.929
  540   1HB   GLU  66          2HB       GLU  66 -15.101   5.257   8.147
  541   2HB   GLU  66          1HB       GLU  66 -16.502   4.253   7.774
  542   1HG   GLU  66          2HG       GLU  66 -16.598   3.833   9.990
  543   2HG   GLU  66          1HG       GLU  66 -15.204   2.788   9.726
  544    H    ARG  67           H        ARG  67 -14.935   2.025   5.210
  545    HA   ARG  67           HA       ARG  67 -16.339  -0.289   6.495
  546   1HB   ARG  67          2HB       ARG  67 -17.576   1.620   5.052
  547   2HB   ARG  67          1HB       ARG  67 -17.025   0.600   3.724
  548   1HG   ARG  67          2HG       ARG  67 -19.229  -0.154   4.359
  549   2HG   ARG  67          1HG       ARG  67 -18.074  -1.367   4.906
  550   1HD   ARG  67          2HD       ARG  67 -18.457  -0.921   7.131
  551   2HD   ARG  67          1HD       ARG  67 -18.705   0.812   6.845
  552    HE   ARG  67           HE       ARG  67 -20.766  -1.271   6.674
  553   1HH1  ARG  67          1HH2      ARG  67 -19.752   1.912   5.690
  554   2HH1  ARG  67          2HH2      ARG  67 -21.362   2.457   5.379
  555   1HH2  ARG  67          1HH1      ARG  67 -22.861  -0.546   6.262
  556   2HH2  ARG  67          2HH1      ARG  67 -23.118   1.072   5.700
  557    HA   PRO  68           HA       PRO  68 -17.000  -2.240   5.919
  558   1HB   PRO  68          2HB       PRO  68 -15.866  -4.585   6.759
  559   2HB   PRO  68          1HB       PRO  68 -16.651  -4.393   5.179
  560   1HG   PRO  68          2HG       PRO  68 -13.759  -4.370   5.870
  561   2HG   PRO  68          1HG       PRO  68 -14.579  -5.073   4.469
  562   1HD   PRO  68          2HD       PRO  68 -13.235  -2.707   4.384
  563   2HD   PRO  68          1HD       PRO  68 -14.607  -3.092   3.324
  564    H    ARG  69           H        ARG  69 -13.595  -2.086   6.944
  565    HA   ARG  69           HA       ARG  69 -14.489  -1.819   9.792
  566   1HB   ARG  69          2HB       ARG  69 -11.776  -2.390   8.550
  567   2HB   ARG  69          1HB       ARG  69 -12.118  -2.364  10.279
  568   1HG   ARG  69          2HG       ARG  69 -14.052  -4.081   9.419
  569   2HG   ARG  69          1HG       ARG  69 -12.770  -4.430   8.260
  570   1HD   ARG  69          2HD       ARG  69 -12.216  -5.891  10.007
  571   2HD   ARG  69          1HD       ARG  69 -11.248  -4.467  10.441
  572    HE   ARG  69           HE       ARG  69 -13.767  -4.015  11.580
  573   1HH1  ARG  69          1HH2      ARG  69 -11.276  -6.436  11.786
  574   2HH1  ARG  69          2HH2      ARG  69 -11.650  -6.848  13.425
  575   1HH2  ARG  69          1HH1      ARG  69 -14.244  -4.561  13.711
  576   2HH2  ARG  69          2HH1      ARG  69 -13.324  -5.790  14.513
  577    HA   PRO  70           HA       PRO  70 -13.401   2.436   9.872
  578   1HB   PRO  70          2HB       PRO  70 -12.270   2.694  12.356
  579   2HB   PRO  70          1HB       PRO  70 -14.014   2.484  12.099
  580   1HG   PRO  70          2HG       PRO  70 -11.959   0.464  12.866
  581   2HG   PRO  70          1HG       PRO  70 -13.611   0.678  13.470
  582   1HD   PRO  70          2HD       PRO  70 -12.955  -1.222  11.659
  583   2HD   PRO  70          1HD       PRO  70 -14.549  -0.436  11.689
  584    H    ASN  71           H        ASN  71 -11.576   3.897   9.715
  585    HA   ASN  71           HA       ASN  71  -9.387   4.469   9.058
  586   1HB   ASN  71          2HB       ASN  71  -9.182   2.486  11.279
  587   2HB   ASN  71          1HB       ASN  71  -7.699   2.834  10.392
  588   1HD2  ASN  71          1HD2      ASN  71 -10.386   4.509  12.115
  589   2HD2  ASN  71          2HD2      ASN  71  -9.448   5.844  12.581
  590    H    THR  72           H        THR  72 -10.445   3.215   7.024
  591    HA   THR  72           HA       THR  72  -8.561   1.007   6.240
  592    HB   THR  72           HB       THR  72 -11.493   1.547   5.724
  593    HG1  THR  72           1HG      THR  72 -11.618   0.077   7.182
  594   1HG2  THR  72          1HG2      THR  72 -11.364  -0.540   4.263
  595   2HG2  THR  72          2HG2      THR  72  -9.618  -0.295   4.229
  596   3HG2  THR  72          3HG2      THR  72 -10.693   0.931   3.558
  597    H    PHE  73           H        PHE  73  -7.937   0.999   3.967
  598    HA   PHE  73           HA       PHE  73  -8.199   3.669   2.613
  599   1HB   PHE  73          2HB       PHE  73  -5.926   1.854   3.240
  600   2HB   PHE  73          1HB       PHE  73  -5.885   2.620   1.653
  601    HD1  PHE  73           1HD      PHE  73  -7.029   5.243   2.044
  602    HD2  PHE  73           2HD      PHE  73  -4.481   2.991   4.668
  603    HE1  PHE  73           1HE      PHE  73  -6.238   7.350   3.086
  604    HE2  PHE  73           2HE      PHE  73  -3.691   5.095   5.709
  605    HZ   PHE  73           HZ       PHE  73  -4.566   7.274   4.919
  606    H    VAL  74           H        VAL  74  -8.999   3.577   0.531
  607    HA   VAL  74           HA       VAL  74  -9.044   0.908  -0.850
  608    HB   VAL  74           HB       VAL  74 -11.213   3.004  -0.516
  609   1HG1  VAL  74          1HG1      VAL  74 -10.987   0.653  -2.389
  610   2HG1  VAL  74          2HG1      VAL  74 -11.534   2.293  -2.735
  611   3HG1  VAL  74          3HG1      VAL  74 -12.565   1.197  -1.816
  612   1HG2  VAL  74          1HG2      VAL  74 -11.239   1.621   1.385
  613   2HG2  VAL  74          2HG2      VAL  74 -10.761   0.192   0.470
  614   3HG2  VAL  74          3HG2      VAL  74 -12.399   0.828   0.318
  615    H    ILE  75           H        ILE  75  -8.121   1.029  -2.860
  616    HA   ILE  75           HA       ILE  75  -7.856   3.726  -4.147
  617    HB   ILE  75           HB       ILE  75  -5.806   2.391  -3.467
  618   1HG1  ILE  75          2HG1      ILE  75  -5.611   2.507  -6.414
  619   2HG1  ILE  75          1HG1      ILE  75  -6.224   3.974  -5.655
  620   1HG2  ILE  75          1HG2      ILE  75  -6.677   0.145  -4.018
  621   2HG2  ILE  75          2HG2      ILE  75  -5.177   0.473  -4.882
  622   3HG2  ILE  75          3HG2      ILE  75  -6.721   0.581  -5.726
  623   1HD1  ILE  75          1HD1      ILE  75  -4.277   4.193  -4.284
  624   2HD1  ILE  75          2HD1      ILE  75  -3.688   3.839  -5.908
  625   3HD1  ILE  75          3HD1      ILE  75  -3.727   2.567  -4.688
  626    H    ARG  76           H        ARG  76  -8.878   4.041  -6.125
  627    HA   ARG  76           HA       ARG  76  -9.999   1.617  -7.505
  628   1HB   ARG  76          2HB       ARG  76 -11.264   4.237  -6.697
  629   2HB   ARG  76          1HB       ARG  76 -11.966   3.237  -7.968
  630   1HG   ARG  76          2HG       ARG  76 -11.337   1.531  -5.761
  631   2HG   ARG  76          1HG       ARG  76 -12.220   2.924  -5.136
  632   1HD   ARG  76          2HD       ARG  76 -14.030   2.553  -6.746
  633   2HD   ARG  76          1HD       ARG  76 -13.126   1.212  -7.479
  634    HE   ARG  76           HE       ARG  76 -13.545   0.977  -4.574
  635   1HH1  ARG  76          1HH2      ARG  76 -14.705   0.239  -7.772
  636   2HH1  ARG  76          2HH2      ARG  76 -15.596  -1.149  -7.254
  637   1HH2  ARG  76          1HH1      ARG  76 -14.699  -0.841  -3.915
  638   2HH2  ARG  76          2HH1      ARG  76 -15.593  -1.761  -5.078
  639    H    CYS  77           H        CYS  77  -9.667   1.578  -9.696
  640    HA   CYS  77           HA       CYS  77  -8.880   4.114 -11.090
  641   1HB   CYS  77          2HB       CYS  77  -7.387   1.613 -10.613
  642   2HB   CYS  77          1HB       CYS  77  -7.377   2.142 -12.295
  643    H    LEU  78           H        LEU  78  -9.379   4.097 -13.383
  644    HA   LEU  78           HA       LEU  78 -11.397   2.014 -14.163
  645   1HB   LEU  78          2HB       LEU  78 -11.044   4.959 -14.772
  646   2HB   LEU  78          1HB       LEU  78 -12.133   3.940 -15.715
  647    HG   LEU  78           HG       LEU  78 -12.682   3.365 -13.000
  648   1HD1  LEU  78          1HD1      LEU  78 -12.405   6.331 -13.565
  649   2HD1  LEU  78          2HD1      LEU  78 -11.588   5.408 -12.305
  650   3HD1  LEU  78          3HD1      LEU  78 -13.329   5.672 -12.215
  651   1HD2  LEU  78          1HD2      LEU  78 -14.861   4.482 -13.578
  652   2HD2  LEU  78          2HD2      LEU  78 -14.332   3.308 -14.783
  653   3HD2  LEU  78          3HD2      LEU  78 -14.126   5.035 -15.083
  654    H    GLN  79           H        GLN  79  -9.008   1.022 -14.673
  655    HA   GLN  79           HA       GLN  79  -8.672   1.316 -17.613
  656   1HB   GLN  79          2HB       GLN  79  -6.759   2.133 -15.469
  657   2HB   GLN  79          1HB       GLN  79  -6.077   1.349 -16.893
  658   1HG   GLN  79          2HG       GLN  79  -7.662   3.054 -18.174
  659   2HG   GLN  79          1HG       GLN  79  -7.509   3.969 -16.675
  660   1HE2  GLN  79          1HE2      GLN  79  -5.314   2.122 -18.889
  661   2HE2  GLN  79          2HE2      GLN  79  -4.067   3.271 -18.833
  662    H    TRP  80           H        TRP  80  -7.270  -0.280 -14.707
  663    HA   TRP  80           HA       TRP  80  -6.885  -2.771 -16.298
  664   1HB   TRP  80          2HB       TRP  80  -5.807  -1.557 -13.778
  665   2HB   TRP  80          1HB       TRP  80  -5.768  -3.313 -13.931
  666    HD1  TRP  80           HD       TRP  80  -4.189  -4.367 -15.759
  667    HE1  TRP  80           1HE      TRP  80  -2.242  -3.404 -17.152
  668    HE3  TRP  80           3HE      TRP  80  -4.934   0.625 -14.982
  669    HZ2  TRP  80           2HZ      TRP  80  -1.149  -0.854 -17.844
  670    HZ3  TRP  80           3HZ      TRP  80  -3.428   2.297 -16.019
  671    HH2  TRP  80           HH       TRP  80  -1.538   1.565 -17.448
  672    H    THR  81           H        THR  81  -8.788  -3.952 -16.323
  673    HA   THR  81           HA       THR  81 -10.509  -4.069 -13.909
  674    HB   THR  81           HB       THR  81 -11.901  -5.471 -15.575
  675    HG1  THR  81           1HG      THR  81 -10.571  -6.074 -17.132
  676   1HG2  THR  81          1HG2      THR  81 -12.396  -3.375 -16.982
  677   2HG2  THR  81          2HG2      THR  81 -11.131  -2.591 -16.037
  678   3HG2  THR  81          3HG2      THR  81 -12.567  -3.224 -15.233
  679    H    THR  82           H        THR  82  -8.515  -5.219 -12.848
  680    HA   THR  82           HA       THR  82  -8.788  -8.178 -13.288
  681    HB   THR  82           HB       THR  82  -6.195  -7.113 -12.313
  682    HG1  THR  82           1HG      THR  82  -7.026  -6.733 -14.999
  683   1HG2  THR  82          1HG2      THR  82  -7.174  -9.213 -14.233
  684   2HG2  THR  82          2HG2      THR  82  -6.228  -9.417 -12.759
  685   3HG2  THR  82          3HG2      THR  82  -5.474  -8.742 -14.203
  686    H    VAL  83           H        VAL  83  -7.820  -9.361 -11.271
  687    HA   VAL  83           HA       VAL  83  -9.051  -8.158  -8.856
  688    HB   VAL  83           HB       VAL  83  -9.454 -10.515  -9.745
  689   1HG1  VAL  83          1HG1      VAL  83  -6.990 -11.450  -8.385
  690   2HG1  VAL  83          2HG1      VAL  83  -6.745 -10.665  -9.945
  691   3HG1  VAL  83          3HG1      VAL  83  -7.792 -12.079  -9.824
  692   1HG2  VAL  83          1HG2      VAL  83  -8.525  -9.958  -6.929
  693   2HG2  VAL  83          2HG2      VAL  83  -9.132 -11.548  -7.388
  694   3HG2  VAL  83          3HG2      VAL  83 -10.173 -10.133  -7.531
  695    H    ILE  84           H        ILE  84  -6.595  -6.914  -9.741
  696    HA   ILE  84           HA       ILE  84  -4.419  -7.946  -8.035
  697    HB   ILE  84           HB       ILE  84  -4.657  -5.421  -9.715
  698   1HG1  ILE  84          2HG1      ILE  84  -5.026  -7.447 -11.075
  699   2HG1  ILE  84          1HG1      ILE  84  -3.467  -6.720 -11.458
  700   1HG2  ILE  84          1HG2      ILE  84  -2.292  -6.903  -8.532
  701   2HG2  ILE  84          2HG2      ILE  84  -2.813  -5.260  -8.163
  702   3HG2  ILE  84          3HG2      ILE  84  -2.142  -5.636  -9.749
  703   1HD1  ILE  84          1HD1      ILE  84  -3.828  -9.005  -9.497
  704   2HD1  ILE  84          2HD1      ILE  84  -2.303  -8.352 -10.095
  705   3HD1  ILE  84          3HD1      ILE  84  -3.380  -9.220 -11.188
  706    H    GLU  85           H        GLU  85  -5.822  -7.663  -6.046
  707    HA   GLU  85           HA       GLU  85  -6.349  -6.528  -4.056
  708   1HB   GLU  85          2HB       GLU  85  -4.098  -4.867  -5.218
  709   2HB   GLU  85          1HB       GLU  85  -4.752  -4.590  -3.605
  710   1HG   GLU  85          2HG       GLU  85  -4.352  -7.316  -3.596
  711   2HG   GLU  85          1HG       GLU  85  -2.995  -6.748  -4.568
  712    H    ARG  86           H        ARG  86  -6.930  -4.188  -3.213
  713    HA   ARG  86           HA       ARG  86  -7.905  -2.183  -5.035
  714   1HB   ARG  86          2HB       ARG  86  -9.401  -4.157  -5.568
  715   2HB   ARG  86          1HB       ARG  86  -9.995  -4.081  -3.910
  716   1HG   ARG  86          2HG       ARG  86 -11.577  -2.810  -5.111
  717   2HG   ARG  86          1HG       ARG  86 -10.504  -1.587  -4.433
  718   1HD   ARG  86          2HD       ARG  86 -10.878  -1.073  -6.798
  719   2HD   ARG  86          1HD       ARG  86  -9.208  -1.635  -6.603
  720    HE   ARG  86           HE       ARG  86 -11.348  -3.598  -7.297
  721   1HH1  ARG  86          1HH2      ARG  86  -8.379  -1.932  -8.078
  722   2HH1  ARG  86          2HH2      ARG  86  -7.971  -3.029  -9.350
  723   1HH2  ARG  86          1HH1      ARG  86 -10.782  -5.013  -8.945
  724   2HH2  ARG  86          2HH1      ARG  86  -9.316  -4.770  -9.832
  725    H    THR  87           H        THR  87  -8.949  -3.829  -2.026
  726    HA   THR  87           HA       THR  87  -8.915  -1.167  -0.634
  727    HB   THR  87           HB       THR  87 -10.622  -2.373   0.858
  728    HG1  THR  87           1HG      THR  87 -10.532  -4.451   0.418
  729   1HG2  THR  87          1HG2      THR  87 -11.913  -2.428  -1.760
  730   2HG2  THR  87          2HG2      THR  87 -10.911  -0.994  -1.537
  731   3HG2  THR  87          3HG2      THR  87 -12.200  -1.355  -0.389
  732    H    PHE  88           H        PHE  88  -7.729  -1.049   1.286
  733    HA   PHE  88           HA       PHE  88  -6.666  -3.588   2.429
  734   1HB   PHE  88          2HB       PHE  88  -4.519  -3.114   1.852
  735   2HB   PHE  88          1HB       PHE  88  -5.231  -2.010   0.684
  736    HD1  PHE  88           1HD      PHE  88  -4.571   0.226   0.713
  737    HD2  PHE  88           2HD      PHE  88  -4.180  -2.116   4.294
  738    HE1  PHE  88           1HE      PHE  88  -3.425   2.120   1.831
  739    HE2  PHE  88           2HE      PHE  88  -3.044  -0.220   5.409
  740    HZ   PHE  88           HZ       PHE  88  -2.660   1.897   4.180
  741    H    HIS  89           H        HIS  89  -6.474  -3.548   4.641
  742    HA   HIS  89           HA       HIS  89  -7.439  -1.092   6.056
  743   1HB   HIS  89          2HB       HIS  89  -7.331  -4.054   6.698
  744   2HB   HIS  89          1HB       HIS  89  -7.785  -2.843   7.894
  745    HD1  HIS  89           1HD      HIS  89 -10.207  -3.895   7.950
  746    HD2  HIS  89           2HD      HIS  89  -9.125  -2.247   4.280
  747    HE1  HIS  89           1HE      HIS  89 -12.336  -3.677   6.606
  748    H    VAL  90           H        VAL  90  -6.299  -0.468   8.047
  749    HA   VAL  90           HA       VAL  90  -3.398  -1.217   7.985
  750    HB   VAL  90           HB       VAL  90  -3.138   0.881   9.315
  751   1HG1  VAL  90          1HG1      VAL  90  -2.935   1.085   6.930
  752   2HG1  VAL  90          2HG1      VAL  90  -3.922   2.438   7.477
  753   3HG1  VAL  90          3HG1      VAL  90  -4.685   1.042   6.717
  754   1HG2  VAL  90          1HG2      VAL  90  -4.897   2.000  10.210
  755   2HG2  VAL  90          2HG2      VAL  90  -5.805   0.515   9.941
  756   3HG2  VAL  90          3HG2      VAL  90  -5.870   1.816   8.753
  757    H    ASP  91           H        ASP  91  -2.337  -1.639  10.079
  758    HA   ASP  91           HA       ASP  91  -3.913  -3.360  11.813
  759   1HB   ASP  91          2HB       ASP  91  -1.792  -3.762  12.872
  760   2HB   ASP  91          1HB       ASP  91  -1.455  -3.550  11.155
  761    H    SER  92           H        SER  92  -2.850   0.011  11.979
  762    HA   SER  92           HA       SER  92  -4.366   0.298  14.547
  763   1HB   SER  92          2HB       SER  92  -1.590   1.264  13.812
  764   2HB   SER  92          1HB       SER  92  -2.480   1.888  15.198
  765    HG   SER  92           HG       SER  92  -1.338  -0.619  14.754
  766    HA   PRO  93           HA       PRO  93  -6.145   3.814  12.558
  767   1HB   PRO  93          2HB       PRO  93  -6.579   5.457  14.717
  768   2HB   PRO  93          1HB       PRO  93  -7.578   4.030  14.367
  769   1HG   PRO  93          2HG       PRO  93  -5.326   4.336  16.301
  770   2HG   PRO  93          1HG       PRO  93  -6.872   3.491  16.495
  771   1HD   PRO  93          2HD       PRO  93  -4.564   2.185  15.970
  772   2HD   PRO  93          1HD       PRO  93  -6.140   1.612  15.379
  773    H    ASP  94           H        ASP  94  -3.540   4.366  14.913
  774    HA   ASP  94           HA       ASP  94  -2.742   6.981  14.010
  775   1HB   ASP  94          2HB       ASP  94  -1.614   4.710  15.613
  776   2HB   ASP  94          1HB       ASP  94  -0.497   5.959  15.067
  777    H    GLU  95           H        GLU  95  -1.851   3.664  13.056
  778    HA   GLU  95           HA       GLU  95   0.297   4.300  11.272
  779   1HB   GLU  95          2HB       GLU  95  -1.307   2.048  12.092
  780   2HB   GLU  95          1HB       GLU  95  -1.160   2.037  10.336
  781   1HG   GLU  95          2HG       GLU  95   0.828   1.005  10.749
  782   2HG   GLU  95          1HG       GLU  95   1.400   2.646  11.048
  783    H    ARG  96           H        ARG  96  -3.222   3.929  10.707
  784    HA   ARG  96           HA       ARG  96  -3.275   4.276   7.898
  785   1HB   ARG  96          2HB       ARG  96  -5.107   3.697   9.626
  786   2HB   ARG  96          1HB       ARG  96  -5.293   5.439   9.817
  787   1HG   ARG  96          2HG       ARG  96  -5.326   5.255   7.110
  788   2HG   ARG  96          1HG       ARG  96  -6.037   3.698   7.534
  789   1HD   ARG  96          2HD       ARG  96  -8.000   4.809   7.805
  790   2HD   ARG  96          1HD       ARG  96  -7.282   5.534   9.254
  791    HE   ARG  96           HE       ARG  96  -6.750   6.752   6.586
  792   1HH1  ARG  96          1HH2      ARG  96  -8.052   6.963   9.818
  793   2HH1  ARG  96          2HH2      ARG  96  -8.276   8.675   9.731
  794   1HH2  ARG  96          1HH1      ARG  96  -7.052   8.970   6.503
  795   2HH2  ARG  96          2HH1      ARG  96  -7.710   9.808   7.869
  796    H    GLU  97           H        GLU  97  -3.363   6.768  10.473
  797    HA   GLU  97           HA       GLU  97  -3.570   9.043   8.729
  798   1HB   GLU  97          2HB       GLU  97  -3.805   8.707  11.339
  799   2HB   GLU  97          1HB       GLU  97  -2.082   9.084  11.345
  800   1HG   GLU  97          2HG       GLU  97  -2.455  11.215  10.305
  801   2HG   GLU  97          1HG       GLU  97  -4.138  10.821   9.960
  802    H    GLU  98           H        GLU  98  -0.759   7.266  10.033
  803    HA   GLU  98           HA       GLU  98   1.267   9.044   9.006
  804   1HB   GLU  98          2HB       GLU  98   1.025   6.398  10.263
  805   2HB   GLU  98          1HB       GLU  98   2.375   6.500   9.132
  806   1HG   GLU  98          2HG       GLU  98   2.092   8.860  10.865
  807   2HG   GLU  98          1HG       GLU  98   2.450   7.370  11.737
  808    H    TRP  99           H        TRP  99  -0.346   6.160   7.683
  809    HA   TRP  99           HA       TRP  99   1.217   5.805   5.322
  810   1HB   TRP  99          2HB       TRP  99  -1.698   5.320   5.996
  811   2HB   TRP  99          1HB       TRP  99  -0.984   4.798   4.473
  812    HD1  TRP  99           HD       TRP  99  -1.893   3.296   7.493
  813    HE1  TRP  99           1HE      TRP  99  -0.363   1.354   8.194
  814    HE3  TRP  99           3HE      TRP  99   2.132   4.234   4.498
  815    HZ2  TRP  99           2HZ      TRP  99   2.225   0.321   7.559
  816    HZ3  TRP  99           3HZ      TRP  99   4.118   2.752   4.567
  817    HH2  TRP  99           HH       TRP  99   4.167   0.799   6.093
  818    H    MET 100           H        MET 100  -1.739   7.757   5.853
  819    HA   MET 100           HA       MET 100  -2.022   8.811   3.221
  820   1HB   MET 100          2HB       MET 100  -3.523   8.899   5.358
  821   2HB   MET 100          1HB       MET 100  -2.611  10.357   5.747
  822   1HG   MET 100          2HG       MET 100  -3.465  10.375   2.969
  823   2HG   MET 100          1HG       MET 100  -4.842  10.185   4.054
  824   1HE   MET 100          1HE       MET 100  -5.598  12.576   2.939
  825   2HE   MET 100          2HE       MET 100  -4.079  12.539   2.047
  826   3HE   MET 100          3HE       MET 100  -4.535  13.990   2.936
  827    H    ARG 101           H        ARG 101  -0.263  10.122   6.048
  828    HA   ARG 101           HA       ARG 101   0.722  12.517   4.853
  829   1HB   ARG 101          2HB       ARG 101   1.118  10.873   7.216
  830   2HB   ARG 101          1HB       ARG 101   2.662  11.510   6.647
  831   1HG   ARG 101          2HG       ARG 101   1.910  13.235   8.024
  832   2HG   ARG 101          1HG       ARG 101   1.360  13.767   6.436
  833   1HD   ARG 101          2HD       ARG 101  -0.884  13.221   6.886
  834   2HD   ARG 101          1HD       ARG 101  -0.445  12.070   8.162
  835    HE   ARG 101           HE       ARG 101  -0.209  13.879   9.676
  836   1HH1  ARG 101          1HH2      ARG 101  -0.453  15.000   6.389
  837   2HH1  ARG 101          2HH2      ARG 101  -0.584  16.663   6.839
  838   1HH2  ARG 101          1HH1      ARG 101  -0.380  16.054  10.249
  839   2HH2  ARG 101          2HH1      ARG 101  -0.543  17.260   9.018
  840    H    ALA 102           H        ALA 102   2.124   9.236   4.985
  841    HA   ALA 102           HA       ALA 102   4.594   9.798   3.657
  842   1HB   ALA 102          1HB       ALA 102   4.736   7.413   3.493
  843   2HB   ALA 102          2HB       ALA 102   2.981   7.243   3.474
  844   3HB   ALA 102          3HB       ALA 102   3.803   7.730   4.956
  845    H    ILE 103           H        ILE 103   1.398   8.839   2.362
  846    HA   ILE 103           HA       ILE 103   2.167   8.562  -0.387
  847    HB   ILE 103           HB       ILE 103  -0.440   9.370   0.954
  848   1HG1  ILE 103          2HG1      ILE 103   0.200   6.697  -0.279
  849   2HG1  ILE 103          1HG1      ILE 103   0.743   7.063   1.359
  850   1HG2  ILE 103          1HG2      ILE 103   0.248   8.737  -1.911
  851   2HG2  ILE 103          2HG2      ILE 103  -0.768  10.031  -1.277
  852   3HG2  ILE 103          3HG2      ILE 103  -1.357   8.370  -1.280
  853   1HD1  ILE 103          1HD1      ILE 103  -1.769   7.859   1.659
  854   2HD1  ILE 103          2HD1      ILE 103  -1.343   6.155   1.814
  855   3HD1  ILE 103          3HD1      ILE 103  -2.045   6.755   0.311
  856    H    GLN 104           H        GLN 104   1.071  11.382   1.507
  857    HA   GLN 104           HA       GLN 104   0.955  13.247  -0.688
  858   1HB   GLN 104          2HB       GLN 104   0.631  13.181   2.177
  859   2HB   GLN 104          1HB       GLN 104   1.628  14.567   1.745
  860   1HG   GLN 104          2HG       GLN 104  -1.096  13.895   0.593
  861   2HG   GLN 104          1HG       GLN 104  -0.733  15.210   1.708
  862   1HE2  GLN 104          1HE2      GLN 104   1.531  16.399   0.640
  863   2HE2  GLN 104          2HE2      GLN 104   1.233  16.937  -0.943
  864    H    MET 105           H        MET 105   3.550  12.366   1.613
  865    HA   MET 105           HA       MET 105   5.472  14.328   0.798
  866   1HB   MET 105          2HB       MET 105   5.545  11.587   2.062
  867   2HB   MET 105          1HB       MET 105   7.049  12.428   1.684
  868   1HG   MET 105          2HG       MET 105   6.449  14.294   3.087
  869   2HG   MET 105          1HG       MET 105   4.813  13.670   3.308
  870   1HE   MET 105          1HE       MET 105   4.464  13.459   5.569
  871   2HE   MET 105          2HE       MET 105   5.929  14.348   5.977
  872   3HE   MET 105          3HE       MET 105   5.560  12.841   6.812
  873    H    VAL 106           H        VAL 106   4.805  11.026  -0.389
  874    HA   VAL 106           HA       VAL 106   6.925  11.057  -2.386
  875    HB   VAL 106           HB       VAL 106   4.402   9.385  -2.063
  876   1HG1  VAL 106          1HG1      VAL 106   6.603   9.379  -4.047
  877   2HG1  VAL 106          2HG1      VAL 106   4.966   8.737  -4.178
  878   3HG1  VAL 106          3HG1      VAL 106   6.215   7.805  -3.353
  879   1HG2  VAL 106          1HG2      VAL 106   5.508   8.413  -0.353
  880   2HG2  VAL 106          2HG2      VAL 106   6.883   9.488  -0.604
  881   3HG2  VAL 106          3HG2      VAL 106   6.792   7.955  -1.472
  882    H    ALA 107           H        ALA 107   3.461  11.855  -2.332
  883    HA   ALA 107           HA       ALA 107   2.965  12.137  -5.117
  884   1HB   ALA 107          1HB       ALA 107   1.162  13.689  -4.288
  885   2HB   ALA 107          2HB       ALA 107   1.897  13.609  -2.687
  886   3HB   ALA 107          3HB       ALA 107   1.221  12.154  -3.420
  887    H    ASN 108           H        ASN 108   4.492  14.369  -2.799
  888    HA   ASN 108           HA       ASN 108   4.486  16.762  -4.329
  889   1HB   ASN 108          2HB       ASN 108   6.124  15.514  -2.166
  890   2HB   ASN 108          1HB       ASN 108   6.825  16.907  -2.989
  891   1HD2  ASN 108          1HD2      ASN 108   4.242  15.877  -0.822
  892   2HD2  ASN 108          2HD2      ASN 108   3.665  17.436  -0.479
  893    H    SER 109           H        SER 109   6.860  14.081  -4.308
  894    HA   SER 109           HA       SER 109   8.351  15.284  -6.568
  895   1HB   SER 109          2HB       SER 109   8.648  12.825  -4.825
  896   2HB   SER 109          1HB       SER 109   9.727  13.157  -6.177
  897    HG   SER 109           HG       SER 109  10.335  15.066  -5.182
  898    H    LEU 110           H        LEU 110   5.951  12.798  -5.965
  899    HA   LEU 110           HA       LEU 110   6.254  11.192  -8.316
  900   1HB   LEU 110          2HB       LEU 110   4.923  10.767  -6.200
  901   2HB   LEU 110          1HB       LEU 110   3.724  11.910  -6.800
  902    HG   LEU 110           HG       LEU 110   4.348  10.011  -8.876
  903   1HD1  LEU 110          1HD1      LEU 110   3.082   8.607  -6.568
  904   2HD1  LEU 110          2HD1      LEU 110   4.837   8.774  -6.548
  905   3HD1  LEU 110          3HD1      LEU 110   4.045   7.952  -7.891
  906   1HD2  LEU 110          1HD2      LEU 110   2.232  11.484  -8.183
  907   2HD2  LEU 110          2HD2      LEU 110   1.774  10.000  -7.348
  908   3HD2  LEU 110          3HD2      LEU 110   2.043   9.984  -9.091
  909    H    LYS 111           H        LYS 111   4.192  14.055  -7.672
  910    HA   LYS 111           HA       LYS 111   3.134  15.568  -9.135
  911   1HB   LYS 111          2HB       LYS 111   5.234  14.493 -11.051
  912   2HB   LYS 111          1HB       LYS 111   4.405  16.045 -11.173
  913   1HG   LYS 111          2HG       LYS 111   5.420  16.108  -8.601
  914   2HG   LYS 111          1HG       LYS 111   6.691  15.277  -9.497
  915   1HD   LYS 111          2HD       LYS 111   7.275  17.150 -10.625
  916   2HD   LYS 111          1HD       LYS 111   5.595  17.588 -10.936
  917   1HE   LYS 111          2HE       LYS 111   5.614  19.093  -9.242
  918   2HE   LYS 111          1HE       LYS 111   6.229  17.876  -8.107
  919   1HZ   LYS 111          1HZ       LYS 111   8.442  18.188  -8.964
  920   2HZ   LYS 111          2HZ       LYS 111   7.826  19.699  -8.492
  921   3HZ   LYS 111          3HZ       LYS 111   7.889  19.281 -10.138
  Start of MODEL    9
    1   1H    MET   1          1H        MET   1  14.093   4.403 -12.024
    2   2H    MET   1          2H        MET   1  13.822   2.920 -11.237
    3   3H    MET   1          3H        MET   1  14.903   3.006 -12.546
    4    HA   MET   1           HA       MET   1  16.462   4.302 -11.289
    5   1HB   MET   1          2HB       MET   1  14.003   4.529  -9.604
    6   2HB   MET   1          1HB       MET   1  15.556   4.577  -8.770
    7   1HG   MET   1          2HG       MET   1  16.008   6.657  -9.529
    8   2HG   MET   1          1HG       MET   1  15.555   6.232 -11.179
    9   1HE   MET   1          1HE       MET   1  14.645   7.254  -7.753
   10   2HE   MET   1          2HE       MET   1  13.274   6.149  -7.782
   11   3HE   MET   1          3HE       MET   1  12.994   7.887  -7.794
   12    H    ASN   2           H        ASN   2  18.045   3.135 -10.135
   13    HA   ASN   2           HA       ASN   2  17.228   0.405  -9.189
   14   1HB   ASN   2          2HB       ASN   2  19.715   1.549 -10.475
   15   2HB   ASN   2          1HB       ASN   2  19.737  -0.017  -9.665
   16   1HD2  ASN   2          1HD2      ASN   2  18.882  -1.810 -10.810
   17   2HD2  ASN   2          2HD2      ASN   2  18.124  -1.686 -12.323
   18    H    GLU   3           H        GLU   3  17.180   2.903  -7.582
   19    HA   GLU   3           HA       GLU   3  18.789   1.938  -5.297
   20   1HB   GLU   3          2HB       GLU   3  19.860   4.192  -5.054
   21   2HB   GLU   3          1HB       GLU   3  20.342   3.374  -6.538
   22   1HG   GLU   3          2HG       GLU   3  19.072   4.789  -7.892
   23   2HG   GLU   3          1HG       GLU   3  17.970   5.221  -6.584
   24    H    VAL   4           H        VAL   4  15.985   1.996  -5.655
   25    HA   VAL   4           HA       VAL   4  14.842   4.406  -4.446
   26    HB   VAL   4           HB       VAL   4  13.792   1.637  -5.112
   27   1HG1  VAL   4          1HG1      VAL   4  11.532   2.699  -4.831
   28   2HG1  VAL   4          2HG1      VAL   4  12.329   4.105  -4.126
   29   3HG1  VAL   4          3HG1      VAL   4  12.424   2.541  -3.318
   30   1HG2  VAL   4          1HG2      VAL   4  14.372   2.924  -7.082
   31   2HG2  VAL   4          2HG2      VAL   4  13.568   4.357  -6.440
   32   3HG2  VAL   4          3HG2      VAL   4  12.615   2.952  -6.921
   33    H    SER   5           H        SER   5  14.198   4.664  -2.306
   34    HA   SER   5           HA       SER   5  15.076   2.556  -0.364
   35   1HB   SER   5          2HB       SER   5  15.148   4.562   1.190
   36   2HB   SER   5          1HB       SER   5  16.271   4.652  -0.163
   37    HG   SER   5           HG       SER   5  15.096   6.594   0.089
   38    H    VAL   6           H        VAL   6  13.688   3.021   1.836
   39    HA   VAL   6           HA       VAL   6  10.811   2.854   1.006
   40    HB   VAL   6           HB       VAL   6  12.355   1.775   3.390
   41   1HG1  VAL   6          1HG1      VAL   6   9.408   1.606   2.686
   42   2HG1  VAL   6          2HG1      VAL   6  10.113   2.340   4.126
   43   3HG1  VAL   6          3HG1      VAL   6  10.190   0.593   3.901
   44   1HG2  VAL   6          1HG2      VAL   6  11.611  -0.421   2.346
   45   2HG2  VAL   6          2HG2      VAL   6  12.794   0.485   1.403
   46   3HG2  VAL   6          3HG2      VAL   6  11.093   0.512   0.941
   47    H    ILE   7           H        ILE   7   9.408   4.387   1.788
   48    HA   ILE   7           HA       ILE   7  10.494   6.492   3.595
   49    HB   ILE   7           HB       ILE   7   8.302   6.209   1.566
   50   1HG1  ILE   7          2HG1      ILE   7   9.222   8.436   0.886
   51   2HG1  ILE   7          1HG1      ILE   7  10.368   8.336   2.222
   52   1HG2  ILE   7          1HG2      ILE   7   8.241   8.032   3.963
   53   2HG2  ILE   7          2HG2      ILE   7   6.922   7.115   3.233
   54   3HG2  ILE   7          3HG2      ILE   7   7.542   8.558   2.431
   55   1HD1  ILE   7          1HD1      ILE   7  11.512   6.509   1.257
   56   2HD1  ILE   7          2HD1      ILE   7  11.171   7.562  -0.114
   57   3HD1  ILE   7          3HD1      ILE   7  10.176   6.135   0.169
   58    H    LYS   8           H        LYS   8   7.862   4.098   3.391
   59    HA   LYS   8           HA       LYS   8   7.473   4.388   6.338
   60   1HB   LYS   8          2HB       LYS   8   5.857   5.694   4.655
   61   2HB   LYS   8          1HB       LYS   8   5.081   4.113   4.558
   62   1HG   LYS   8          2HG       LYS   8   3.965   5.171   6.351
   63   2HG   LYS   8          1HG       LYS   8   5.153   4.141   7.147
   64   1HD   LYS   8          2HD       LYS   8   6.405   6.646   6.544
   65   2HD   LYS   8          1HD       LYS   8   4.870   6.974   7.348
   66   1HE   LYS   8          2HE       LYS   8   5.571   6.065   9.337
   67   2HE   LYS   8          1HE       LYS   8   6.495   4.780   8.534
   68   1HZ   LYS   8          1HZ       LYS   8   8.098   6.491   7.813
   69   2HZ   LYS   8          2HZ       LYS   8   8.020   6.347   9.505
   70   3HZ   LYS   8          3HZ       LYS   8   7.255   7.650   8.725
   71    H    GLU   9           H        GLU   9   7.075   2.418   7.329
   72    HA   GLU   9           HA       GLU   9   6.353   0.070   5.626
   73   1HB   GLU   9          2HB       GLU   9   8.188  -1.198   6.816
   74   2HB   GLU   9          1HB       GLU   9   8.773   0.069   5.742
   75   1HG   GLU   9          2HG       GLU   9   9.745   1.177   7.451
   76   2HG   GLU   9          1HG       GLU   9   8.275   1.103   8.420
   77    H    GLY  10           H        GLY  10   4.792  -1.157   6.633
   78   1HA   GLY  10          2HA       GLY  10   4.700  -1.461   9.531
   79   2HA   GLY  10          1HA       GLY  10   3.434  -0.395   8.931
   80    H    TRP  11           H        TRP  11   2.621  -2.669  10.182
   81    HA   TRP  11           HA       TRP  11   2.115  -4.781   8.160
   82   1HB   TRP  11          2HB       TRP  11   1.659  -4.392  11.115
   83   2HB   TRP  11          1HB       TRP  11   0.866  -5.714  10.261
   84    HD1  TRP  11           HD       TRP  11   4.313  -4.429  11.273
   85    HE1  TRP  11           1HE      TRP  11   6.020  -6.341  11.020
   86    HE3  TRP  11           3HE      TRP  11   1.378  -7.943   9.008
   87    HZ2  TRP  11           2HZ      TRP  11   6.130  -9.010   9.997
   88    HZ3  TRP  11           3HZ      TRP  11   2.309 -10.158   8.404
   89    HH2  TRP  11           HH       TRP  11   4.681 -10.696   8.895
   90    H    LEU  12           H        LEU  12   0.163  -5.024   7.110
   91    HA   LEU  12           HA       LEU  12  -2.112  -3.242   7.947
   92   1HB   LEU  12          2HB       LEU  12  -1.239  -4.015   5.140
   93   2HB   LEU  12          1HB       LEU  12  -2.545  -2.907   5.552
   94    HG   LEU  12           HG       LEU  12   0.389  -2.497   6.218
   95   1HD1  LEU  12          1HD1      LEU  12  -0.513  -2.253   3.772
   96   2HD1  LEU  12          2HD1      LEU  12   0.482  -0.965   4.450
   97   3HD1  LEU  12          3HD1      LEU  12  -1.269  -0.783   4.385
   98   1HD2  LEU  12          1HD2      LEU  12  -1.409  -0.195   6.385
   99   2HD2  LEU  12          2HD2      LEU  12  -0.237  -0.786   7.563
  100   3HD2  LEU  12          3HD2      LEU  12  -1.859  -1.472   7.514
  101    H    HIS  13           H        HIS  13  -4.241  -4.124   7.550
  102    HA   HIS  13           HA       HIS  13  -4.290  -7.110   7.382
  103   1HB   HIS  13          2HB       HIS  13  -5.764  -4.976   8.787
  104   2HB   HIS  13          1HB       HIS  13  -6.801  -6.241   8.127
  105    HD1  HIS  13           1HD      HIS  13  -6.811  -8.477   9.315
  106    HD2  HIS  13           2HD      HIS  13  -3.708  -6.007  10.607
  107    HE1  HIS  13           1HE      HIS  13  -5.743  -9.643  11.295
  108    H    LYS  14           H        LYS  14  -4.959  -7.988   5.463
  109    HA   LYS  14           HA       LYS  14  -6.764  -6.352   3.704
  110   1HB   LYS  14          2HB       LYS  14  -4.145  -7.425   3.296
  111   2HB   LYS  14          1HB       LYS  14  -5.254  -8.308   2.247
  112   1HG   LYS  14          2HG       LYS  14  -5.999  -5.564   2.120
  113   2HG   LYS  14          1HG       LYS  14  -4.247  -5.634   1.934
  114   1HD   LYS  14          2HD       LYS  14  -4.668  -6.133  -0.235
  115   2HD   LYS  14          1HD       LYS  14  -5.091  -7.739   0.358
  116   1HE   LYS  14          2HE       LYS  14  -7.088  -7.278  -0.704
  117   2HE   LYS  14          1HE       LYS  14  -7.442  -6.426   0.811
  118   1HZ   LYS  14          1HZ       LYS  14  -6.025  -5.166  -1.479
  119   2HZ   LYS  14          2HZ       LYS  14  -6.640  -4.396  -0.091
  120   3HZ   LYS  14          3HZ       LYS  14  -7.702  -5.044  -1.247
  121    H    ARG  15           H        ARG  15  -8.537  -7.431   2.820
  122    HA   ARG  15           HA       ARG  15  -9.400  -9.919   4.062
  123   1HB   ARG  15          2HB       ARG  15 -10.604  -7.746   2.940
  124   2HB   ARG  15          1HB       ARG  15 -10.737  -8.902   1.613
  125   1HG   ARG  15          2HG       ARG  15 -11.469 -10.503   3.661
  126   2HG   ARG  15          1HG       ARG  15 -12.005  -8.952   4.305
  127   1HD   ARG  15          2HD       ARG  15 -13.891  -9.663   3.087
  128   2HD   ARG  15          1HD       ARG  15 -13.056  -8.641   1.900
  129    HE   ARG  15           HE       ARG  15 -11.933 -11.212   1.640
  130   1HH1  ARG  15          1HH2      ARG  15 -15.051  -9.701   1.310
  131   2HH1  ARG  15          2HH2      ARG  15 -15.587 -10.805   0.091
  132   1HH2  ARG  15          1HH1      ARG  15 -12.642 -12.643   0.061
  133   2HH2  ARG  15          2HH1      ARG  15 -14.224 -12.463  -0.624
  134    H    GLY  16           H        GLY  16  -9.417 -11.991   3.146
  135   1HA   GLY  16          2HA       GLY  16  -7.565 -12.510   0.969
  136   2HA   GLY  16          1HA       GLY  16  -8.525 -13.719   1.816
  137    H    GLU  17           H        GLU  17  -8.362 -14.115  -0.803
  138    HA   GLU  17           HA       GLU  17 -10.390 -12.755  -2.391
  139   1HB   GLU  17          2HB       GLU  17  -8.266 -13.886  -3.183
  140   2HB   GLU  17          1HB       GLU  17  -9.033 -15.434  -2.826
  141   1HG   GLU  17          2HG       GLU  17  -9.712 -15.286  -5.004
  142   2HG   GLU  17          1HG       GLU  17 -10.985 -14.279  -4.315
  143    H    TYR  18           H        TYR  18 -10.176 -16.044  -0.970
  144    HA   TYR  18           HA       TYR  18 -13.178 -16.165  -1.030
  145   1HB   TYR  18          2HB       TYR  18 -12.813 -18.632  -1.475
  146   2HB   TYR  18          1HB       TYR  18 -12.256 -17.575  -2.771
  147    HD1  TYR  18           1HD      TYR  18  -9.928 -17.408  -3.338
  148    HD2  TYR  18           2HD      TYR  18 -11.159 -19.619   0.135
  149    HE1  TYR  18           1HE      TYR  18  -7.637 -18.325  -3.108
  150    HE2  TYR  18           2HE      TYR  18  -8.868 -20.536   0.362
  151    HH   TYR  18           HH       TYR  18  -6.332 -19.401  -0.658
  152    H    ILE  19           H        ILE  19 -10.797 -15.743   1.116
  153    HA   ILE  19           HA       ILE  19 -11.511 -17.900   3.017
  154    HB   ILE  19           HB       ILE  19  -9.166 -16.989   2.558
  155   1HG1  ILE  19          2HG1      ILE  19  -9.959 -16.697   5.457
  156   2HG1  ILE  19          1HG1      ILE  19  -9.994 -18.266   4.652
  157   1HG2  ILE  19          1HG2      ILE  19 -10.162 -14.549   2.733
  158   2HG2  ILE  19          2HG2      ILE  19  -8.528 -14.880   3.307
  159   3HG2  ILE  19          3HG2      ILE  19  -9.859 -14.770   4.456
  160   1HD1  ILE  19          1HD1      ILE  19  -7.825 -18.287   5.462
  161   2HD1  ILE  19          2HD1      ILE  19  -7.649 -16.537   5.334
  162   3HD1  ILE  19          3HD1      ILE  19  -7.552 -17.542   3.888
  163    H    LYS  20           H        LYS  20 -12.468 -14.636   2.315
  164    HA   LYS  20           HA       LYS  20 -13.944 -13.156   3.402
  165   1HB   LYS  20          2HB       LYS  20 -14.922 -15.732   3.510
  166   2HB   LYS  20          1HB       LYS  20 -14.975 -15.252   5.206
  167   1HG   LYS  20          2HG       LYS  20 -15.929 -13.166   3.362
  168   2HG   LYS  20          1HG       LYS  20 -16.903 -14.637   3.331
  169   1HD   LYS  20          2HD       LYS  20 -16.091 -13.441   5.969
  170   2HD   LYS  20          1HD       LYS  20 -17.463 -12.770   5.087
  171   1HE   LYS  20          2HE       LYS  20 -18.550 -14.981   5.045
  172   2HE   LYS  20          1HE       LYS  20 -17.158 -15.690   5.890
  173   1HZ   LYS  20          1HZ       LYS  20 -18.816 -13.436   6.907
  174   2HZ   LYS  20          2HZ       LYS  20 -17.500 -14.153   7.711
  175   3HZ   LYS  20          3HZ       LYS  20 -18.924 -15.042   7.444
  176    H    THR  21           H        THR  21 -11.292 -13.350   4.524
  177    HA   THR  21           HA       THR  21 -11.866 -12.443   7.297
  178    HB   THR  21           HB       THR  21  -9.773 -14.532   6.603
  179    HG1  THR  21           1HG      THR  21 -11.539 -15.710   6.510
  180   1HG2  THR  21          1HG2      THR  21 -10.809 -13.407   9.216
  181   2HG2  THR  21          2HG2      THR  21  -9.179 -13.247   8.562
  182   3HG2  THR  21          3HG2      THR  21  -9.763 -14.822   9.100
  183    H    TRP  22           H        TRP  22 -10.188 -11.035   8.108
  184    HA   TRP  22           HA       TRP  22  -8.495  -9.837   5.974
  185   1HB   TRP  22          2HB       TRP  22  -9.336  -8.989   8.765
  186   2HB   TRP  22          1HB       TRP  22  -8.266  -8.031   7.742
  187    HD1  TRP  22           HD       TRP  22 -11.868  -9.319   7.934
  188    HE1  TRP  22           1HE      TRP  22 -13.340  -7.907   6.360
  189    HE3  TRP  22           3HE      TRP  22  -8.270  -6.499   5.661
  190    HZ2  TRP  22           2HZ      TRP  22 -13.033  -5.851   4.397
  191    HZ3  TRP  22           3HZ      TRP  22  -8.887  -4.824   3.941
  192    HH2  TRP  22           HH       TRP  22 -11.262  -4.498   3.305
  193    H    ARG  23           H        ARG  23  -6.397 -10.504   5.849
  194    HA   ARG  23           HA       ARG  23  -5.097 -11.623   8.302
  195   1HB   ARG  23          2HB       ARG  23  -3.591 -12.714   6.634
  196   2HB   ARG  23          1HB       ARG  23  -5.282 -13.138   6.397
  197   1HG   ARG  23          2HG       ARG  23  -4.508 -10.738   4.901
  198   2HG   ARG  23          1HG       ARG  23  -3.568 -12.156   4.442
  199   1HD   ARG  23          2HD       ARG  23  -6.565 -12.382   4.714
  200   2HD   ARG  23          1HD       ARG  23  -5.855 -11.731   3.226
  201    HE   ARG  23           HE       ARG  23  -5.635 -14.503   4.170
  202   1HH1  ARG  23          1HH2      ARG  23  -4.235 -11.984   2.214
  203   2HH1  ARG  23          2HH2      ARG  23  -3.467 -13.089   1.128
  204   1HH2  ARG  23          1HH1      ARG  23  -4.632 -15.932   2.741
  205   2HH2  ARG  23          2HH1      ARG  23  -3.698 -15.316   1.420
  206    HA   PRO  24           HA       PRO  24  -2.454  -8.086   8.367
  207   1HB   PRO  24          2HB       PRO  24  -0.503  -9.080  10.006
  208   2HB   PRO  24          1HB       PRO  24  -2.100  -8.575  10.594
  209   1HG   PRO  24          2HG       PRO  24  -1.052 -11.302  10.071
  210   2HG   PRO  24          1HG       PRO  24  -2.150 -10.736  11.337
  211   1HD   PRO  24          2HD       PRO  24  -2.946 -12.080   9.077
  212   2HD   PRO  24          1HD       PRO  24  -3.993 -11.004  10.028
  213    H    ARG  25           H        ARG  25  -0.821  -7.391   7.030
  214    HA   ARG  25           HA       ARG  25   1.187  -9.363   6.017
  215   1HB   ARG  25          2HB       ARG  25  -1.040  -8.132   4.639
  216   2HB   ARG  25          1HB       ARG  25   0.478  -7.606   3.909
  217   1HG   ARG  25          2HG       ARG  25   0.700  -9.601   2.901
  218   2HG   ARG  25          1HG       ARG  25   0.689 -10.403   4.472
  219   1HD   ARG  25          2HD       ARG  25  -1.570 -10.914   4.352
  220   2HD   ARG  25          1HD       ARG  25  -1.941  -9.506   3.339
  221    HE   ARG  25           HE       ARG  25  -1.034 -12.107   2.374
  222   1HH1  ARG  25          1HH2      ARG  25  -1.056  -8.675   1.780
  223   2HH1  ARG  25          2HH2      ARG  25  -0.858  -8.850   0.071
  224   1HH2  ARG  25          1HH1      ARG  25  -0.777 -12.319   0.141
  225   2HH2  ARG  25          2HH1      ARG  25  -0.703 -10.903  -0.855
  226    H    TYR  26           H        TYR  26   3.226  -8.447   5.680
  227    HA   TYR  26           HA       TYR  26   3.774  -5.844   6.886
  228   1HB   TYR  26          2HB       TYR  26   5.181  -8.017   6.836
  229   2HB   TYR  26          1HB       TYR  26   5.614  -7.556   5.191
  230    HD1  TYR  26           1HD      TYR  26   6.574  -7.313   8.555
  231    HD2  TYR  26           2HD      TYR  26   6.378  -4.986   4.950
  232    HE1  TYR  26           1HE      TYR  26   8.316  -5.793   9.444
  233    HE2  TYR  26           2HE      TYR  26   8.122  -3.466   5.841
  234    HH   TYR  26           HH       TYR  26   8.863  -2.955   8.634
  235    H    PHE  27           H        PHE  27   3.001  -4.103   5.673
  236    HA   PHE  27           HA       PHE  27   3.669  -4.048   2.748
  237   1HB   PHE  27          2HB       PHE  27   1.323  -3.408   4.377
  238   2HB   PHE  27          1HB       PHE  27   1.754  -2.103   3.273
  239    HD1  PHE  27           1HD      PHE  27   1.975  -2.574   0.812
  240    HD2  PHE  27           2HD      PHE  27   0.405  -5.466   3.574
  241    HE1  PHE  27           1HE      PHE  27   0.991  -3.842  -1.076
  242    HE2  PHE  27           2HE      PHE  27  -0.579  -6.732   1.684
  243    HZ   PHE  27           HZ       PHE  27  -0.287  -5.922  -0.642
  244    H    LEU  28           H        LEU  28   4.897  -2.321   1.991
  245    HA   LEU  28           HA       LEU  28   5.387  -0.020   3.835
  246   1HB   LEU  28          2HB       LEU  28   7.829  -0.286   3.409
  247   2HB   LEU  28          1HB       LEU  28   7.138  -1.680   4.237
  248    HG   LEU  28           HG       LEU  28   6.941  -2.004   1.360
  249   1HD1  LEU  28          1HD1      LEU  28   9.076  -0.496   1.769
  250   2HD1  LEU  28          2HD1      LEU  28   9.153  -1.869   0.665
  251   3HD1  LEU  28          3HD1      LEU  28   9.785  -2.020   2.304
  252   1HD2  LEU  28          1HD2      LEU  28   8.114  -3.468   3.715
  253   2HD2  LEU  28          2HD2      LEU  28   8.433  -4.035   2.076
  254   3HD2  LEU  28          3HD2      LEU  28   6.775  -3.944   2.670
  255    H    LEU  29           H        LEU  29   5.863   1.920   2.781
  256    HA   LEU  29           HA       LEU  29   5.377   1.971  -0.164
  257   1HB   LEU  29          2HB       LEU  29   4.047   3.356   1.472
  258   2HB   LEU  29          1HB       LEU  29   5.532   4.212   1.884
  259    HG   LEU  29           HG       LEU  29   5.752   4.726  -0.621
  260   1HD1  LEU  29          1HD1      LEU  29   3.763   4.572  -1.974
  261   2HD1  LEU  29          2HD1      LEU  29   2.801   4.038  -0.595
  262   3HD1  LEU  29          3HD1      LEU  29   4.040   2.978  -1.269
  263   1HD2  LEU  29          1HD2      LEU  29   3.465   5.839   1.033
  264   2HD2  LEU  29          2HD2      LEU  29   4.026   6.572  -0.470
  265   3HD2  LEU  29          3HD2      LEU  29   5.107   6.473   0.920
  266    H    LYS  30           H        LYS  30   7.032   2.515  -1.578
  267    HA   LYS  30           HA       LYS  30   9.719   3.039  -0.408
  268   1HB   LYS  30          2HB       LYS  30   8.661   2.097  -3.081
  269   2HB   LYS  30          1HB       LYS  30  10.365   2.471  -2.825
  270   1HG   LYS  30          2HG       LYS  30   9.370   0.794  -0.680
  271   2HG   LYS  30          1HG       LYS  30   9.063   0.040  -2.246
  272   1HD   LYS  30          2HD       LYS  30  11.475   0.507  -2.844
  273   2HD   LYS  30          1HD       LYS  30  11.726   1.004  -1.170
  274   1HE   LYS  30          2HE       LYS  30  11.132  -1.204  -0.353
  275   2HE   LYS  30          1HE       LYS  30  10.647  -1.721  -1.979
  276   1HZ   LYS  30          1HZ       LYS  30  12.953  -2.375  -1.390
  277   2HZ   LYS  30          2HZ       LYS  30  13.364  -0.729  -1.285
  278   3HZ   LYS  30          3HZ       LYS  30  12.866  -1.393  -2.769
  279    H    SER  31           H        SER  31  11.132   4.467  -1.909
  280    HA   SER  31           HA       SER  31  10.013   7.148  -1.989
  281   1HB   SER  31          2HB       SER  31  12.486   5.977  -1.765
  282   2HB   SER  31          1HB       SER  31  12.530   6.566  -3.425
  283    HG   SER  31           HG       SER  31  13.221   8.188  -2.037
  284    H    ASP  32           H        ASP  32  10.086   4.558  -4.287
  285    HA   ASP  32           HA       ASP  32   9.966   6.320  -6.662
  286   1HB   ASP  32          2HB       ASP  32  11.076   3.973  -6.332
  287   2HB   ASP  32          1HB       ASP  32   9.443   3.352  -6.566
  288    H    GLY  33           H        GLY  33   7.734   5.573  -4.328
  289   1HA   GLY  33          2HA       GLY  33   5.405   5.941  -4.347
  290   2HA   GLY  33          1HA       GLY  33   5.485   6.166  -6.097
  291    H    SER  34           H        SER  34   6.660   3.384  -4.220
  292    HA   SER  34           HA       SER  34   4.552   1.703  -5.528
  293   1HB   SER  34          2HB       SER  34   6.304   0.050  -5.995
  294   2HB   SER  34          1HB       SER  34   6.750   1.600  -6.699
  295    HG   SER  34           HG       SER  34   8.463   0.588  -5.517
  296    H    PHE  35           H        PHE  35   3.573   0.290  -4.142
  297    HA   PHE  35           HA       PHE  35   4.511   0.207  -1.317
  298   1HB   PHE  35          2HB       PHE  35   2.030   0.450  -2.649
  299   2HB   PHE  35          1HB       PHE  35   2.014  -1.153  -1.917
  300    HD1  PHE  35           1HD      PHE  35   3.200  -1.110   0.569
  301    HD2  PHE  35           2HD      PHE  35   1.134   2.139  -1.334
  302    HE1  PHE  35           1HE      PHE  35   2.756  -0.092   2.787
  303    HE2  PHE  35           2HE      PHE  35   0.693   3.158   0.883
  304    HZ   PHE  35           HZ       PHE  35   1.503   2.041   2.943
  305    H    ILE  36           H        ILE  36   5.446  -1.648  -0.520
  306    HA   ILE  36           HA       ILE  36   5.452  -4.076  -2.275
  307    HB   ILE  36           HB       ILE  36   7.200  -3.154   0.038
  308   1HG1  ILE  36          2HG1      ILE  36   7.589  -1.856  -1.987
  309   2HG1  ILE  36          1HG1      ILE  36   8.932  -2.974  -1.765
  310   1HG2  ILE  36          1HG2      ILE  36   7.233  -5.525   0.118
  311   2HG2  ILE  36          2HG2      ILE  36   8.670  -5.084  -0.805
  312   3HG2  ILE  36          3HG2      ILE  36   7.229  -5.664  -1.640
  313   1HD1  ILE  36          1HD1      ILE  36   6.594  -3.279  -3.667
  314   2HD1  ILE  36          2HD1      ILE  36   7.748  -4.568  -3.329
  315   3HD1  ILE  36          3HD1      ILE  36   8.293  -3.074  -4.088
  316    H    GLY  37           H        GLY  37   4.211  -5.772  -1.623
  317   1HA   GLY  37          2HA       GLY  37   3.182  -5.792   1.178
  318   2HA   GLY  37          1HA       GLY  37   2.375  -6.550  -0.195
  319    H    TYR  38           H        TYR  38   4.278  -7.161   2.464
  320    HA   TYR  38           HA       TYR  38   5.437  -9.670   1.299
  321   1HB   TYR  38          2HB       TYR  38   6.509  -7.588   2.829
  322   2HB   TYR  38          1HB       TYR  38   6.250  -8.880   4.000
  323    HD1  TYR  38           1HD      TYR  38   8.276  -7.701   1.247
  324    HD2  TYR  38           2HD      TYR  38   7.193 -11.185   3.512
  325    HE1  TYR  38           1HE      TYR  38  10.288  -8.877   0.403
  326    HE2  TYR  38           2HE      TYR  38   9.204 -12.361   2.667
  327    HH   TYR  38           HH       TYR  38  10.816 -11.622   0.104
  328    H    LYS  39           H        LYS  39   4.553 -11.602   2.004
  329    HA   LYS  39           HA       LYS  39   2.203 -11.732   3.621
  330   1HB   LYS  39          2HB       LYS  39   2.492 -14.116   3.406
  331   2HB   LYS  39          1HB       LYS  39   3.084 -13.395   1.913
  332   1HG   LYS  39          2HG       LYS  39   5.327 -13.803   2.448
  333   2HG   LYS  39          1HG       LYS  39   5.000 -13.905   4.176
  334   1HD   LYS  39          2HD       LYS  39   3.862 -15.921   2.239
  335   2HD   LYS  39          1HD       LYS  39   5.464 -16.122   2.945
  336   1HE   LYS  39          2HE       LYS  39   3.177 -15.507   4.794
  337   2HE   LYS  39          1HE       LYS  39   3.336 -17.156   4.161
  338   1HZ   LYS  39          1HZ       LYS  39   4.694 -16.285   6.278
  339   2HZ   LYS  39          2HZ       LYS  39   5.801 -15.876   5.055
  340   3HZ   LYS  39          3HZ       LYS  39   5.283 -17.485   5.234
  341    H    GLU  40           H        GLU  40   5.620 -11.859   4.475
  342    HA   GLU  40           HA       GLU  40   4.878 -11.767   7.357
  343   1HB   GLU  40          2HB       GLU  40   5.624 -14.102   6.081
  344   2HB   GLU  40          1HB       GLU  40   7.162 -13.520   6.716
  345   1HG   GLU  40          2HG       GLU  40   6.266 -14.833   8.473
  346   2HG   GLU  40          1HG       GLU  40   5.902 -13.172   8.942
  347    H    ARG  41           H        ARG  41   7.577 -11.977   8.275
  348    HA   ARG  41           HA       ARG  41   8.549  -9.291   7.738
  349   1HB   ARG  41          2HB       ARG  41   9.270 -11.673   9.394
  350   2HB   ARG  41          1HB       ARG  41  10.540 -10.482   9.110
  351   1HG   ARG  41          2HG       ARG  41   9.631  -9.127  10.658
  352   2HG   ARG  41          1HG       ARG  41   8.128  -9.074   9.738
  353   1HD   ARG  41          2HD       ARG  41   7.394  -9.982  11.772
  354   2HD   ARG  41          1HD       ARG  41   7.733 -11.457  10.845
  355    HE   ARG  41           HE       ARG  41  10.180 -10.882  11.977
  356   1HH1  ARG  41          1HH2      ARG  41   6.948 -11.194  13.236
  357   2HH1  ARG  41          2HH2      ARG  41   7.480 -11.731  14.792
  358   1HH2  ARG  41          1HH1      ARG  41  10.858 -11.588  14.009
  359   2HH2  ARG  41          2HH1      ARG  41   9.685 -11.956  15.228
  360    HA   PRO  42           HA       PRO  42  11.461 -10.123   4.537
  361   1HB   PRO  42          2HB       PRO  42  13.657  -8.670   5.281
  362   2HB   PRO  42          1HB       PRO  42  12.158  -7.922   4.697
  363   1HG   PRO  42          2HG       PRO  42  13.182  -8.192   7.468
  364   2HG   PRO  42          1HG       PRO  42  12.262  -6.876   6.725
  365   1HD   PRO  42          2HD       PRO  42  11.192  -8.789   8.390
  366   2HD   PRO  42          1HD       PRO  42  10.261  -7.840   7.213
  367    H    GLU  43           H        GLU  43  12.680 -11.949   4.163
  368    HA   GLU  43           HA       GLU  43  14.167 -13.170   6.449
  369   1HB   GLU  43          2HB       GLU  43  12.700 -14.056   4.044
  370   2HB   GLU  43          1HB       GLU  43  14.164 -14.976   4.385
  371   1HG   GLU  43          2HG       GLU  43  12.577 -16.127   5.656
  372   2HG   GLU  43          1HG       GLU  43  13.248 -15.011   6.844
  373    H    ALA  44           H        ALA  44  15.124 -10.909   4.501
  374    HA   ALA  44           HA       ALA  44  17.338 -12.139   3.036
  375   1HB   ALA  44          1HB       ALA  44  16.146  -9.437   3.476
  376   2HB   ALA  44          2HB       ALA  44  16.595 -10.233   1.967
  377   3HB   ALA  44          3HB       ALA  44  17.836  -9.492   2.976
  378    HA   PRO  45           HA       PRO  45  20.284 -11.944   6.322
  379   1HB   PRO  45          2HB       PRO  45  22.582 -11.848   4.834
  380   2HB   PRO  45          1HB       PRO  45  21.613 -13.323   5.023
  381   1HG   PRO  45          2HG       PRO  45  21.733 -11.417   2.745
  382   2HG   PRO  45          1HG       PRO  45  21.567 -13.179   2.736
  383   1HD   PRO  45          2HD       PRO  45  19.481 -11.447   2.341
  384   2HD   PRO  45          1HD       PRO  45  19.295 -13.094   2.979
  385    H    ASP  46           H        ASP  46  20.579  -9.618   3.637
  386    HA   ASP  46           HA       ASP  46  21.501  -7.549   5.604
  387   1HB   ASP  46          2HB       ASP  46  23.367  -8.147   4.224
  388   2HB   ASP  46          1HB       ASP  46  22.369  -8.196   2.773
  389    H    GLN  47           H        GLN  47  20.513  -7.451   2.160
  390    HA   GLN  47           HA       GLN  47  17.975  -6.102   2.817
  391   1HB   GLN  47          2HB       GLN  47  20.100  -4.513   2.849
  392   2HB   GLN  47          1HB       GLN  47  19.910  -4.579   1.096
  393   1HG   GLN  47          2HG       GLN  47  18.542  -2.773   1.585
  394   2HG   GLN  47          1HG       GLN  47  17.369  -4.086   1.685
  395   1HE2  GLN  47          1HE2      GLN  47  16.392  -4.489   3.728
  396   2HE2  GLN  47          2HE2      GLN  47  16.791  -3.637   5.141
  397    H    THR  48           H        THR  48  18.660  -8.528   1.392
  398    HA   THR  48           HA       THR  48  17.887  -7.805  -1.413
  399    HB   THR  48           HB       THR  48  20.159  -8.830  -0.962
  400    HG1  THR  48           1HG      THR  48  19.748  -9.335  -2.947
  401   1HG2  THR  48          1HG2      THR  48  20.411 -10.814   0.112
  402   2HG2  THR  48          2HG2      THR  48  18.991 -11.519  -0.660
  403   3HG2  THR  48          3HG2      THR  48  18.801 -10.480   0.751
  404    H    LEU  49           H        LEU  49  15.864  -7.926   0.398
  405    HA   LEU  49           HA       LEU  49  14.693 -10.637   0.467
  406   1HB   LEU  49          2HB       LEU  49  12.891  -9.453   1.733
  407   2HB   LEU  49          1HB       LEU  49  14.492  -9.161   2.404
  408    HG   LEU  49           HG       LEU  49  13.976  -7.171   0.400
  409   1HD1  LEU  49          1HD1      LEU  49  12.044  -6.059   1.609
  410   2HD1  LEU  49          2HD1      LEU  49  11.786  -7.586   2.451
  411   3HD1  LEU  49          3HD1      LEU  49  11.612  -7.505   0.698
  412   1HD2  LEU  49          1HD2      LEU  49  13.895  -6.674   3.363
  413   2HD2  LEU  49          2HD2      LEU  49  14.674  -5.725   2.098
  414   3HD2  LEU  49          3HD2      LEU  49  15.389  -7.251   2.621
  415    HA   PRO  50           HA       PRO  50  12.593  -9.843  -3.389
  416   1HB   PRO  50          2HB       PRO  50  11.362 -12.278  -3.568
  417   2HB   PRO  50          1HB       PRO  50  13.079 -12.033  -3.945
  418   1HG   PRO  50          2HG       PRO  50  11.823 -13.205  -1.531
  419   2HG   PRO  50          1HG       PRO  50  13.351 -13.611  -2.322
  420   1HD   PRO  50          2HD       PRO  50  13.105 -12.093  -0.024
  421   2HD   PRO  50          1HD       PRO  50  14.516 -12.092  -1.103
  422    HA   PRO  51           HA       PRO  51   8.770  -8.650  -1.294
  423   1HB   PRO  51          2HB       PRO  51   7.901  -6.964  -3.267
  424   2HB   PRO  51          1HB       PRO  51   9.119  -6.503  -2.062
  425   1HG   PRO  51          2HG       PRO  51   9.491  -7.372  -4.885
  426   2HG   PRO  51          1HG       PRO  51  10.339  -6.116  -3.970
  427   1HD   PRO  51          2HD       PRO  51  11.386  -8.581  -4.443
  428   2HD   PRO  51          1HD       PRO  51  11.790  -7.606  -3.013
  429    H    LEU  52           H        LEU  52   6.868  -9.796  -1.398
  430    HA   LEU  52           HA       LEU  52   6.337 -11.570  -3.666
  431   1HB   LEU  52          2HB       LEU  52   4.971 -10.943  -1.036
  432   2HB   LEU  52          1HB       LEU  52   4.355 -12.153  -2.163
  433    HG   LEU  52           HG       LEU  52   7.234 -12.422  -1.635
  434   1HD1  LEU  52          1HD1      LEU  52   6.306 -11.593   0.588
  435   2HD1  LEU  52          2HD1      LEU  52   7.086 -13.174   0.633
  436   3HD1  LEU  52          3HD1      LEU  52   5.327 -13.059   0.626
  437   1HD2  LEU  52          1HD2      LEU  52   5.599 -14.033  -2.794
  438   2HD2  LEU  52          2HD2      LEU  52   5.001 -14.410  -1.178
  439   3HD2  LEU  52          3HD2      LEU  52   6.682 -14.738  -1.594
  440    H    ASN  53           H        ASN  53   4.520  -8.862  -2.140
  441    HA   ASN  53           HA       ASN  53   2.867  -8.681  -4.634
  442   1HB   ASN  53          2HB       ASN  53   2.500  -8.059  -1.723
  443   2HB   ASN  53          1HB       ASN  53   1.557  -7.145  -2.898
  444   1HD2  ASN  53          1HD2      ASN  53   0.603  -8.784  -4.727
  445   2HD2  ASN  53          2HD2      ASN  53  -0.146 -10.165  -4.085
  446    H    ASN  54           H        ASN  54   3.164  -6.912  -5.946
  447    HA   ASN  54           HA       ASN  54   4.681  -4.571  -4.819
  448   1HB   ASN  54          2HB       ASN  54   4.735  -5.479  -7.708
  449   2HB   ASN  54          1HB       ASN  54   5.907  -4.480  -6.852
  450   1HD2  ASN  54          1HD2      ASN  54   7.120  -5.680  -5.002
  451   2HD2  ASN  54          2HD2      ASN  54   7.483  -7.317  -5.257
  452    H    PHE  55           H        PHE  55   3.163  -2.953  -4.619
  453    HA   PHE  55           HA       PHE  55   1.075  -2.657  -6.753
  454   1HB   PHE  55          2HB       PHE  55   0.228  -2.997  -4.501
  455   2HB   PHE  55          1HB       PHE  55   1.286  -1.738  -3.867
  456    HD1  PHE  55           1HD      PHE  55  -1.292  -2.161  -6.572
  457    HD2  PHE  55           2HD      PHE  55   0.341   0.359  -3.501
  458    HE1  PHE  55           1HE      PHE  55  -3.034  -0.460  -7.041
  459    HE2  PHE  55           2HE      PHE  55  -1.401   2.060  -3.970
  460    HZ   PHE  55           HZ       PHE  55  -3.089   1.652  -5.740
  461    H    SER  56           H        SER  56   1.012  -0.748  -7.954
  462    HA   SER  56           HA       SER  56   3.218   1.211  -7.498
  463   1HB   SER  56          2HB       SER  56   1.449   0.403  -9.804
  464   2HB   SER  56          1HB       SER  56   2.338   1.922  -9.855
  465    HG   SER  56           HG       SER  56   4.194   0.849  -9.933
  466    H    VAL  57           H        VAL  57   2.691   3.094  -6.477
  467    HA   VAL  57           HA       VAL  57  -0.106   4.138  -6.760
  468    HB   VAL  57           HB       VAL  57   0.298   3.041  -4.581
  469   1HG1  VAL  57          1HG1      VAL  57   2.547   5.061  -4.328
  470   2HG1  VAL  57          2HG1      VAL  57   2.710   3.308  -4.404
  471   3HG1  VAL  57          3HG1      VAL  57   1.945   4.061  -3.007
  472   1HG2  VAL  57          1HG2      VAL  57  -0.826   5.504  -4.991
  473   2HG2  VAL  57          2HG2      VAL  57   0.352   5.870  -3.733
  474   3HG2  VAL  57          3HG2      VAL  57  -0.876   4.635  -3.458
  475    H    ALA  58           H        ALA  58   1.589   5.114  -8.568
  476    HA   ALA  58           HA       ALA  58   3.147   7.410  -7.615
  477   1HB   ALA  58          1HB       ALA  58   2.338   6.259 -10.294
  478   2HB   ALA  58          2HB       ALA  58   3.937   6.269  -9.552
  479   3HB   ALA  58          3HB       ALA  58   3.245   7.767 -10.174
  480    H    GLU  59           H        GLU  59   0.107   6.941  -9.438
  481    HA   GLU  59           HA       GLU  59  -0.900   9.543  -8.411
  482   1HB   GLU  59          2HB       GLU  59   0.310   9.285 -10.907
  483   2HB   GLU  59          1HB       GLU  59  -1.408   9.148 -11.279
  484   1HG   GLU  59          2HG       GLU  59  -1.498  11.400 -11.172
  485   2HG   GLU  59          1HG       GLU  59  -1.278  11.239  -9.430
  486    H    CYS  60           H        CYS  60  -2.393   8.169  -7.222
  487    HA   CYS  60           HA       CYS  60  -4.556   6.997  -8.938
  488   1HB   CYS  60          2HB       CYS  60  -2.665   5.678  -7.258
  489   2HB   CYS  60          1HB       CYS  60  -4.241   5.551  -6.475
  490    H    GLN  61           H        GLN  61  -6.526   6.480  -7.386
  491    HA   GLN  61           HA       GLN  61  -7.101   8.976  -5.875
  492   1HB   GLN  61          2HB       GLN  61  -8.769   6.641  -6.862
  493   2HB   GLN  61          1HB       GLN  61  -9.438   8.027  -6.001
  494   1HG   GLN  61          2HG       GLN  61  -8.738   9.537  -7.754
  495   2HG   GLN  61          1HG       GLN  61  -7.839   8.255  -8.566
  496   1HE2  GLN  61          1HE2      GLN  61  -9.426   6.174  -8.935
  497   2HE2  GLN  61          2HE2      GLN  61 -10.926   6.577  -9.623
  498    H    LEU  62           H        LEU  62  -7.280   8.984  -3.650
  499    HA   LEU  62           HA       LEU  62  -7.285   6.333  -2.233
  500   1HB   LEU  62          2HB       LEU  62  -5.800   7.386  -0.582
  501   2HB   LEU  62          1HB       LEU  62  -5.103   7.529  -2.194
  502    HG   LEU  62           HG       LEU  62  -6.698   9.815  -1.933
  503   1HD1  LEU  62          1HD1      LEU  62  -5.755  10.795   0.205
  504   2HD1  LEU  62          2HD1      LEU  62  -5.248   9.164   0.645
  505   3HD1  LEU  62          3HD1      LEU  62  -6.961   9.530   0.442
  506   1HD2  LEU  62          1HD2      LEU  62  -4.355  10.889  -1.569
  507   2HD2  LEU  62          2HD2      LEU  62  -4.623   9.965  -3.046
  508   3HD2  LEU  62          3HD2      LEU  62  -3.745   9.240  -1.700
  509    H    MET  63           H        MET  63  -8.594   6.209  -0.357
  510    HA   MET  63           HA       MET  63 -10.076   8.611   0.551
  511   1HB   MET  63          2HB       MET  63 -11.356   7.831  -1.371
  512   2HB   MET  63          1HB       MET  63 -11.331   6.177  -0.763
  513   1HG   MET  63          2HG       MET  63 -13.145   6.562   0.516
  514   2HG   MET  63          1HG       MET  63 -12.374   7.959   1.266
  515   1HE   MET  63          1HE       MET  63 -15.432   9.909   0.432
  516   2HE   MET  63          2HE       MET  63 -14.051   9.677   1.502
  517   3HE   MET  63          3HE       MET  63 -15.200   8.363   1.259
  518    H    LYS  64           H        LYS  64 -10.268   8.449   2.758
  519    HA   LYS  64           HA       LYS  64  -9.637   5.911   4.120
  520   1HB   LYS  64          2HB       LYS  64 -10.341   8.728   5.007
  521   2HB   LYS  64          1HB       LYS  64  -9.963   7.429   6.138
  522   1HG   LYS  64          2HG       LYS  64  -7.739   7.205   5.291
  523   2HG   LYS  64          1HG       LYS  64  -8.099   8.208   3.885
  524   1HD   LYS  64          2HD       LYS  64  -7.135   9.849   5.147
  525   2HD   LYS  64          1HD       LYS  64  -8.738   9.938   5.875
  526   1HE   LYS  64          2HE       LYS  64  -7.613   9.579   7.839
  527   2HE   LYS  64          1HE       LYS  64  -7.587   7.884   7.313
  528   1HZ   LYS  64          1HZ       LYS  64  -5.533   8.458   6.028
  529   2HZ   LYS  64          2HZ       LYS  64  -5.346   8.517   7.715
  530   3HZ   LYS  64          3HZ       LYS  64  -5.511   9.957   6.827
  531    H    THR  65           H        THR  65 -11.162   4.732   5.416
  532    HA   THR  65           HA       THR  65 -13.975   5.671   5.492
  533    HB   THR  65           HB       THR  65 -13.732   4.581   3.316
  534    HG1  THR  65           1HG      THR  65 -15.404   3.193   3.553
  535   1HG2  THR  65          1HG2      THR  65 -11.924   3.136   3.411
  536   2HG2  THR  65          2HG2      THR  65 -13.257   1.987   3.522
  537   3HG2  THR  65          3HG2      THR  65 -12.395   2.480   4.978
  538    H    GLU  66           H        GLU  66 -15.363   3.941   6.661
  539    HA   GLU  66           HA       GLU  66 -13.741   2.635   8.830
  540   1HB   GLU  66          2HB       GLU  66 -16.536   3.760   9.118
  541   2HB   GLU  66          1HB       GLU  66 -15.375   3.397  10.391
  542   1HG   GLU  66          2HG       GLU  66 -14.537   5.395   8.340
  543   2HG   GLU  66          1HG       GLU  66 -15.778   5.897   9.482
  544    H    ARG  67           H        ARG  67 -15.039   1.615   6.204
  545    HA   ARG  67           HA       ARG  67 -16.597  -0.620   7.463
  546   1HB   ARG  67          2HB       ARG  67 -17.512   1.405   5.741
  547   2HB   ARG  67          1HB       ARG  67 -17.332  -0.015   4.711
  548   1HG   ARG  67          2HG       ARG  67 -19.400  -0.552   5.506
  549   2HG   ARG  67          1HG       ARG  67 -18.500  -1.135   6.904
  550   1HD   ARG  67          2HD       ARG  67 -19.508   0.409   8.213
  551   2HD   ARG  67          1HD       ARG  67 -18.894   1.710   7.174
  552    HE   ARG  67           HE       ARG  67 -20.965   0.644   5.688
  553   1HH1  ARG  67          1HH2      ARG  67 -20.664   1.837   8.944
  554   2HH1  ARG  67          2HH2      ARG  67 -22.306   2.369   9.026
  555   1HH2  ARG  67          1HH1      ARG  67 -23.105   1.343   5.809
  556   2HH2  ARG  67          2HH1      ARG  67 -23.685   2.091   7.259
  557    HA   PRO  68           HA       PRO  68 -17.427  -2.526   6.797
  558   1HB   PRO  68          2HB       PRO  68 -16.489  -4.947   7.673
  559   2HB   PRO  68          1HB       PRO  68 -17.184  -4.699   6.058
  560   1HG   PRO  68          2HG       PRO  68 -14.326  -4.838   6.885
  561   2HG   PRO  68          1HG       PRO  68 -15.121  -5.517   5.456
  562   1HD   PRO  68          2HD       PRO  68 -13.651  -3.242   5.379
  563   2HD   PRO  68          1HD       PRO  68 -15.030  -3.538   4.299
  564    H    ARG  69           H        ARG  69 -14.065  -2.631   7.947
  565    HA   ARG  69           HA       ARG  69 -15.018  -2.319  10.767
  566   1HB   ARG  69          2HB       ARG  69 -12.545  -3.320   9.391
  567   2HB   ARG  69          1HB       ARG  69 -12.398  -2.693  11.032
  568   1HG   ARG  69          2HG       ARG  69 -13.269  -4.586  11.883
  569   2HG   ARG  69          1HG       ARG  69 -14.701  -4.423  10.867
  570   1HD   ARG  69          2HD       ARG  69 -13.844  -6.436  10.060
  571   2HD   ARG  69          1HD       ARG  69 -13.025  -5.302   8.977
  572    HE   ARG  69           HE       ARG  69 -11.082  -5.355  10.569
  573   1HH1  ARG  69          1HH2      ARG  69 -13.457  -7.916  10.763
  574   2HH1  ARG  69          2HH2      ARG  69 -12.354  -9.027  11.489
  575   1HH2  ARG  69          1HH1      ARG  69  -9.677  -6.827  11.512
  576   2HH2  ARG  69          2HH1      ARG  69 -10.228  -8.419  11.909
  577    HA   PRO  70           HA       PRO  70 -13.853   1.922  10.807
  578   1HB   PRO  70          2HB       PRO  70 -12.865   2.195  13.353
  579   2HB   PRO  70          1HB       PRO  70 -14.597   2.037  12.993
  580   1HG   PRO  70          2HG       PRO  70 -12.659  -0.041  13.906
  581   2HG   PRO  70          1HG       PRO  70 -14.329   0.248  14.425
  582   1HD   PRO  70          2HD       PRO  70 -13.682  -1.714  12.690
  583   2HD   PRO  70          1HD       PRO  70 -15.227  -0.836  12.599
  584    H    ASN  71           H        ASN  71 -11.952   3.338  10.828
  585    HA   ASN  71           HA       ASN  71  -9.690   3.844  10.421
  586   1HB   ASN  71          2HB       ASN  71  -9.118   1.247  11.881
  587   2HB   ASN  71          1HB       ASN  71  -8.091   2.674  11.786
  588   1HD2  ASN  71          1HD2      ASN  71  -9.716   4.773  12.494
  589   2HD2  ASN  71          2HD2      ASN  71 -10.396   4.530  14.028
  590    H    THR  72           H        THR  72 -10.884   2.806   8.236
  591    HA   THR  72           HA       THR  72  -8.984   0.716   7.206
  592    HB   THR  72           HB       THR  72 -11.926   1.259   6.808
  593    HG1  THR  72           1HG      THR  72 -12.002  -0.445   7.997
  594   1HG2  THR  72          1HG2      THR  72 -11.830  -0.556   5.038
  595   2HG2  THR  72          2HG2      THR  72 -10.082  -0.331   5.010
  596   3HG2  THR  72          3HG2      THR  72 -11.147   0.995   4.549
  597    H    PHE  73           H        PHE  73  -8.442   0.913   4.902
  598    HA   PHE  73           HA       PHE  73  -8.576   3.741   3.886
  599   1HB   PHE  73          2HB       PHE  73  -6.418   1.935   4.481
  600   2HB   PHE  73          1HB       PHE  73  -6.429   2.239   2.746
  601    HD1  PHE  73           1HD      PHE  73  -4.627   3.209   5.297
  602    HD2  PHE  73           2HD      PHE  73  -7.465   5.028   2.633
  603    HE1  PHE  73           1HE      PHE  73  -3.576   5.415   5.679
  604    HE2  PHE  73           2HE      PHE  73  -6.412   7.236   3.023
  605    HZ   PHE  73           HZ       PHE  73  -4.464   7.427   4.546
  606    H    VAL  74           H        VAL  74  -9.009   3.994   1.644
  607    HA   VAL  74           HA       VAL  74  -9.579   1.512   0.067
  608    HB   VAL  74           HB       VAL  74 -11.314   3.947   0.571
  609   1HG1  VAL  74          1HG1      VAL  74 -11.403   3.614  -1.818
  610   2HG1  VAL  74          2HG1      VAL  74 -12.868   2.908  -1.136
  611   3HG1  VAL  74          3HG1      VAL  74 -11.532   1.866  -1.624
  612   1HG2  VAL  74          1HG2      VAL  74 -11.987   0.998   0.680
  613   2HG2  VAL  74          2HG2      VAL  74 -12.919   2.340   1.341
  614   3HG2  VAL  74          3HG2      VAL  74 -11.381   1.888   2.074
  615    H    ILE  75           H        ILE  75  -8.983   1.684  -2.109
  616    HA   ILE  75           HA       ILE  75  -8.026   4.352  -3.076
  617    HB   ILE  75           HB       ILE  75  -6.124   3.056  -2.251
  618   1HG1  ILE  75          2HG1      ILE  75  -5.548   2.488  -5.032
  619   2HG1  ILE  75          1HG1      ILE  75  -6.397   4.026  -4.885
  620   1HG2  ILE  75          1HG2      ILE  75  -7.206   0.882  -4.064
  621   2HG2  ILE  75          2HG2      ILE  75  -6.992   0.810  -2.315
  622   3HG2  ILE  75          3HG2      ILE  75  -5.583   0.856  -3.374
  623   1HD1  ILE  75          1HD1      ILE  75  -3.973   4.374  -4.691
  624   2HD1  ILE  75          2HD1      ILE  75  -3.903   3.221  -3.358
  625   3HD1  ILE  75          3HD1      ILE  75  -4.767   4.746  -3.160
  626    H    ARG  76           H        ARG  76  -8.622   4.788  -5.196
  627    HA   ARG  76           HA       ARG  76 -10.130   2.640  -6.638
  628   1HB   ARG  76          2HB       ARG  76 -10.195   5.662  -6.600
  629   2HB   ARG  76          1HB       ARG  76 -11.002   4.741  -7.867
  630   1HG   ARG  76          2HG       ARG  76 -12.764   4.626  -6.456
  631   2HG   ARG  76          1HG       ARG  76 -11.809   3.454  -5.547
  632   1HD   ARG  76          2HD       ARG  76 -11.057   5.084  -4.000
  633   2HD   ARG  76          1HD       ARG  76 -11.506   6.429  -5.066
  634    HE   ARG  76           HE       ARG  76 -13.384   4.779  -3.469
  635   1HH1  ARG  76          1HH2      ARG  76 -12.875   7.245  -5.884
  636   2HH1  ARG  76          2HH2      ARG  76 -14.472   7.886  -5.727
  637   1HH2  ARG  76          1HH1      ARG  76 -15.461   5.629  -3.288
  638   2HH2  ARG  76          2HH1      ARG  76 -15.930   6.976  -4.270
  639    H    CYS  77           H        CYS  77  -8.343   1.639  -7.708
  640    HA   CYS  77           HA       CYS  77  -6.951   3.356  -9.745
  641   1HB   CYS  77          2HB       CYS  77  -5.992   0.931  -8.186
  642   2HB   CYS  77          1HB       CYS  77  -5.066   1.730  -9.457
  643    H    LEU  78           H        LEU  78  -6.557   2.313 -11.806
  644    HA   LEU  78           HA       LEU  78  -8.682   0.624 -12.772
  645   1HB   LEU  78          2HB       LEU  78  -6.166   1.870 -13.750
  646   2HB   LEU  78          1HB       LEU  78  -6.721   0.467 -14.662
  647    HG   LEU  78           HG       LEU  78  -9.012   1.578 -14.747
  648   1HD1  LEU  78          1HD1      LEU  78  -8.702   3.167 -12.913
  649   2HD1  LEU  78          2HD1      LEU  78  -9.000   4.048 -14.410
  650   3HD1  LEU  78          3HD1      LEU  78  -7.362   3.930 -13.769
  651   1HD2  LEU  78          1HD2      LEU  78  -6.562   2.757 -16.068
  652   2HD2  LEU  78          2HD2      LEU  78  -8.185   3.313 -16.475
  653   3HD2  LEU  78          3HD2      LEU  78  -7.736   1.630 -16.748
  654    H    GLN  79           H        GLN  79  -7.933  -1.463 -14.115
  655    HA   GLN  79           HA       GLN  79  -6.978  -3.407 -12.163
  656   1HB   GLN  79          2HB       GLN  79  -7.907  -3.394 -15.027
  657   2HB   GLN  79          1HB       GLN  79  -7.164  -4.850 -14.364
  658   1HG   GLN  79          2HG       GLN  79  -9.162  -5.379 -13.471
  659   2HG   GLN  79          1HG       GLN  79  -8.986  -3.989 -12.398
  660   1HE2  GLN  79          1HE2      GLN  79 -10.213  -4.888 -15.663
  661   2HE2  GLN  79          2HE2      GLN  79 -11.369  -3.646 -15.732
  662    H    TRP  80           H        TRP  80  -5.793  -3.093 -15.517
  663    HA   TRP  80           HA       TRP  80  -3.630  -3.181 -16.424
  664   1HB   TRP  80          2HB       TRP  80  -3.511  -1.589 -13.937
  665   2HB   TRP  80          1HB       TRP  80  -1.952  -2.206 -14.481
  666    HD1  TRP  80           HD       TRP  80  -4.923  -0.106 -15.738
  667    HE1  TRP  80           1HE      TRP  80  -4.084   1.441 -17.624
  668    HE3  TRP  80           3HE      TRP  80  -0.123  -1.793 -16.197
  669    HZ2  TRP  80           2HZ      TRP  80  -1.695   1.901 -19.126
  670    HZ3  TRP  80           3HZ      TRP  80   1.409  -0.784 -17.862
  671    HH2  TRP  80           HH       TRP  80   0.631   1.060 -19.326
  672    H    THR  81           H        THR  81  -2.628  -3.745 -13.042
  673    HA   THR  81           HA       THR  81  -1.078  -6.090 -13.784
  674    HB   THR  81           HB       THR  81  -1.294  -6.094 -11.031
  675    HG1  THR  81           1HG      THR  81  -2.068  -4.265 -10.406
  676   1HG2  THR  81          1HG2      THR  81   0.758  -5.988 -12.460
  677   2HG2  THR  81          2HG2      THR  81   0.824  -4.922 -11.056
  678   3HG2  THR  81          3HG2      THR  81   0.481  -4.257 -12.653
  679    H    THR  82           H        THR  82  -1.416  -8.210 -12.537
  680    HA   THR  82           HA       THR  82  -4.082  -9.235 -13.071
  681    HB   THR  82           HB       THR  82  -1.928 -10.482 -13.324
  682    HG1  THR  82           1HG      THR  82  -2.923 -12.298 -12.860
  683   1HG2  THR  82          1HG2      THR  82  -1.023  -9.514 -11.098
  684   2HG2  THR  82          2HG2      THR  82  -0.655 -11.197 -11.468
  685   3HG2  THR  82          3HG2      THR  82  -1.940 -10.807 -10.325
  686    H    VAL  83           H        VAL  83  -2.392  -8.150 -10.148
  687    HA   VAL  83           HA       VAL  83  -4.439  -9.226  -8.336
  688    HB   VAL  83           HB       VAL  83  -3.073  -7.987  -6.637
  689   1HG1  VAL  83          1HG1      VAL  83  -2.477 -10.287  -7.376
  690   2HG1  VAL  83          2HG1      VAL  83  -1.062  -9.348  -6.901
  691   3HG1  VAL  83          3HG1      VAL  83  -1.423  -9.595  -8.609
  692   1HG2  VAL  83          1HG2      VAL  83  -2.327  -6.421  -8.841
  693   2HG2  VAL  83          2HG2      VAL  83  -0.881  -7.350  -8.452
  694   3HG2  VAL  83          3HG2      VAL  83  -1.638  -6.340  -7.220
  695    H    ILE  84           H        ILE  84  -6.170  -8.098  -7.474
  696    HA   ILE  84           HA       ILE  84  -6.596  -5.300  -8.476
  697    HB   ILE  84           HB       ILE  84  -8.500  -7.502  -7.598
  698   1HG1  ILE  84          2HG1      ILE  84  -7.420  -7.838  -9.816
  699   2HG1  ILE  84          1HG1      ILE  84  -9.151  -7.545  -9.967
  700   1HG2  ILE  84          1HG2      ILE  84 -10.225  -5.875  -8.598
  701   2HG2  ILE  84          2HG2      ILE  84  -8.975  -4.642  -8.445
  702   3HG2  ILE  84          3HG2      ILE  84  -9.576  -5.470  -7.009
  703   1HD1  ILE  84          1HD1      ILE  84  -6.922  -5.540 -10.421
  704   2HD1  ILE  84          2HD1      ILE  84  -8.635  -5.118 -10.393
  705   3HD1  ILE  84          3HD1      ILE  84  -8.015  -6.205 -11.636
  706    H    GLU  85           H        GLU  85  -5.871  -3.961  -6.825
  707    HA   GLU  85           HA       GLU  85  -6.626  -4.630  -4.007
  708   1HB   GLU  85          2HB       GLU  85  -4.459  -3.034  -5.362
  709   2HB   GLU  85          1HB       GLU  85  -4.848  -2.724  -3.671
  710   1HG   GLU  85          2HG       GLU  85  -4.370  -5.010  -3.063
  711   2HG   GLU  85          1HG       GLU  85  -4.224  -5.485  -4.753
  712    H    ARG  86           H        ARG  86  -8.223  -3.415  -3.062
  713    HA   ARG  86           HA       ARG  86  -8.766  -0.665  -4.113
  714   1HB   ARG  86          2HB       ARG  86 -10.260  -2.900  -4.738
  715   2HB   ARG  86          1HB       ARG  86 -11.129  -2.257  -3.343
  716   1HG   ARG  86          2HG       ARG  86 -12.111  -1.109  -5.148
  717   2HG   ARG  86          1HG       ARG  86 -10.916   0.040  -4.548
  718   1HD   ARG  86          2HD       ARG  86 -10.463   0.062  -6.854
  719   2HD   ARG  86          1HD       ARG  86  -9.326  -1.181  -6.294
  720    HE   ARG  86           HE       ARG  86 -11.947  -2.294  -6.878
  721   1HH1  ARG  86          1HH2      ARG  86  -8.945  -1.234  -8.286
  722   2HH1  ARG  86          2HH2      ARG  86  -9.070  -2.301  -9.642
  723   1HH2  ARG  86          1HH1      ARG  86 -12.097  -3.674  -8.648
  724   2HH2  ARG  86          2HH1      ARG  86 -10.849  -3.677  -9.850
  725    H    THR  87           H        THR  87  -9.906  -2.963  -1.577
  726    HA   THR  87           HA       THR  87  -9.839  -0.680   0.367
  727    HB   THR  87           HB       THR  87 -11.426  -2.262   1.626
  728    HG1  THR  87           1HG      THR  87 -12.023  -4.049   0.660
  729   1HG2  THR  87          1HG2      THR  87 -12.953  -0.877   0.746
  730   2HG2  THR  87          2HG2      THR  87 -12.981  -1.841  -0.730
  731   3HG2  THR  87          3HG2      THR  87 -11.850  -0.498  -0.575
  732    H    PHE  88           H        PHE  88  -8.479  -0.828   2.113
  733    HA   PHE  88           HA       PHE  88  -7.410  -3.480   2.918
  734   1HB   PHE  88          2HB       PHE  88  -5.315  -3.084   2.125
  735   2HB   PHE  88          1HB       PHE  88  -6.056  -1.820   1.153
  736    HD1  PHE  88           1HD      PHE  88  -4.530  -2.438   4.517
  737    HD2  PHE  88           2HD      PHE  88  -5.391   0.418   1.426
  738    HE1  PHE  88           1HE      PHE  88  -3.171  -0.742   5.705
  739    HE2  PHE  88           2HE      PHE  88  -4.030   2.114   2.618
  740    HZ   PHE  88           HZ       PHE  88  -2.920   1.535   4.757
  741    H    HIS  89           H        HIS  89  -6.954  -3.571   5.128
  742    HA   HIS  89           HA       HIS  89  -7.736  -1.169   6.730
  743   1HB   HIS  89          2HB       HIS  89  -7.529  -4.145   7.283
  744   2HB   HIS  89          1HB       HIS  89  -7.920  -2.964   8.528
  745    HD1  HIS  89           1HD      HIS  89 -10.262  -4.304   8.642
  746    HD2  HIS  89           2HD      HIS  89  -9.594  -2.138   5.148
  747    HE1  HIS  89           1HE      HIS  89 -12.508  -4.077   7.501
  748    H    VAL  90           H        VAL  90  -6.389  -0.544   8.565
  749    HA   VAL  90           HA       VAL  90  -3.520  -1.350   8.240
  750    HB   VAL  90           HB       VAL  90  -3.098   0.808   9.457
  751   1HG1  VAL  90          1HG1      VAL  90  -3.996   2.276   7.561
  752   2HG1  VAL  90          2HG1      VAL  90  -4.726   0.809   6.912
  753   3HG1  VAL  90          3HG1      VAL  90  -2.975   0.920   7.086
  754   1HG2  VAL  90          1HG2      VAL  90  -5.428   0.749  10.563
  755   2HG2  VAL  90          2HG2      VAL  90  -6.037   1.389   9.036
  756   3HG2  VAL  90          3HG2      VAL  90  -4.866   2.313   9.973
  757    H    ASP  91           H        ASP  91  -2.278  -1.782  10.186
  758    HA   ASP  91           HA       ASP  91  -3.565  -3.409  12.148
  759   1HB   ASP  91          2HB       ASP  91  -1.111  -3.262  11.363
  760   2HB   ASP  91          1HB       ASP  91  -0.952  -1.928  12.506
  761    H    SER  92           H        SER  92  -2.776   0.055  12.150
  762    HA   SER  92           HA       SER  92  -4.310   0.338  14.708
  763   1HB   SER  92          2HB       SER  92  -1.662   0.304  14.705
  764   2HB   SER  92          1HB       SER  92  -1.846   1.957  14.128
  765    HG   SER  92           HG       SER  92  -2.137   2.416  16.151
  766    HA   PRO  93           HA       PRO  93  -6.317   3.674  12.616
  767   1HB   PRO  93          2HB       PRO  93  -6.770   5.416  14.690
  768   2HB   PRO  93          1HB       PRO  93  -7.702   3.924  14.450
  769   1HG   PRO  93          2HG       PRO  93  -5.401   4.439  16.280
  770   2HG   PRO  93          1HG       PRO  93  -6.907   3.556  16.585
  771   1HD   PRO  93          2HD       PRO  93  -4.594   2.285  16.065
  772   2HD   PRO  93          1HD       PRO  93  -6.162   1.646  15.521
  773    H    ASP  94           H        ASP  94  -3.665   4.595  14.835
  774    HA   ASP  94           HA       ASP  94  -3.150   7.161  13.610
  775   1HB   ASP  94          2HB       ASP  94  -1.211   7.150  15.012
  776   2HB   ASP  94          1HB       ASP  94  -2.432   6.251  15.907
  777    H    GLU  95           H        GLU  95  -2.149   3.842  12.911
  778    HA   GLU  95           HA       GLU  95   0.006   4.322  11.103
  779   1HB   GLU  95          2HB       GLU  95  -1.707   2.179  11.974
  780   2HB   GLU  95          1HB       GLU  95  -1.609   2.131  10.215
  781   1HG   GLU  95          2HG       GLU  95   0.313   0.966  10.619
  782   2HG   GLU  95          1HG       GLU  95   1.002   2.575  10.835
  783    H    ARG  96           H        ARG  96  -3.521   4.174  10.585
  784    HA   ARG  96           HA       ARG  96  -3.650   4.467   7.773
  785   1HB   ARG  96          2HB       ARG  96  -5.427   4.138   9.671
  786   2HB   ARG  96          1HB       ARG  96  -5.490   5.901   9.680
  787   1HG   ARG  96          2HG       ARG  96  -6.397   6.018   7.555
  788   2HG   ARG  96          1HG       ARG  96  -5.649   4.507   7.042
  789   1HD   ARG  96          2HD       ARG  96  -7.803   3.723   7.289
  790   2HD   ARG  96          1HD       ARG  96  -7.304   3.563   8.982
  791    HE   ARG  96           HE       ARG  96  -9.037   5.680   7.879
  792   1HH1  ARG  96          1HH2      ARG  96  -7.115   4.497  10.537
  793   2HH1  ARG  96          2HH2      ARG  96  -7.785   5.617  11.667
  794   1HH2  ARG  96          1HH1      ARG  96  -9.920   7.105   9.371
  795   2HH2  ARG  96          2HH1      ARG  96  -9.376   7.081  11.016
  796    H    GLU  97           H        GLU  97  -3.314   6.961  10.313
  797    HA   GLU  97           HA       GLU  97  -3.411   9.229   8.525
  798   1HB   GLU  97          2HB       GLU  97  -2.698   8.611  11.342
  799   2HB   GLU  97          1HB       GLU  97  -1.944  10.060  10.675
  800   1HG   GLU  97          2HG       GLU  97  -4.207  10.832   9.926
  801   2HG   GLU  97          1HG       GLU  97  -4.911   9.442  10.752
  802    H    GLU  98           H        GLU  98  -0.724   7.292   9.878
  803    HA   GLU  98           HA       GLU  98   1.443   8.796   8.784
  804   1HB   GLU  98          2HB       GLU  98   1.250   6.790  10.496
  805   2HB   GLU  98          1HB       GLU  98   1.500   5.802   9.056
  806   1HG   GLU  98          2HG       GLU  98   3.686   6.376   8.912
  807   2HG   GLU  98          1HG       GLU  98   3.345   8.080   9.216
  808    H    TRP  99           H        TRP  99  -0.409   6.042   7.424
  809    HA   TRP  99           HA       TRP  99   1.105   5.692   5.021
  810   1HB   TRP  99          2HB       TRP  99  -1.851   5.323   5.614
  811   2HB   TRP  99          1HB       TRP  99  -1.032   4.662   4.204
  812    HD1  TRP  99           HD       TRP  99  -2.256   3.476   7.266
  813    HE1  TRP  99           1HE      TRP  99  -0.911   1.502   8.217
  814    HE3  TRP  99           3HE      TRP  99   2.015   3.913   4.505
  815    HZ2  TRP  99           2HZ      TRP  99   1.637   0.266   7.856
  816    HZ3  TRP  99           3HZ      TRP  99   3.886   2.318   4.834
  817    HH2  TRP  99           HH       TRP  99   3.698   0.502   6.502
  818    H    MET 100           H        MET 100  -1.783   7.702   5.683
  819    HA   MET 100           HA       MET 100  -2.177   8.798   3.100
  820   1HB   MET 100          2HB       MET 100  -3.610   8.938   5.208
  821   2HB   MET 100          1HB       MET 100  -2.536  10.224   5.753
  822   1HG   MET 100          2HG       MET 100  -3.962  11.601   4.640
  823   2HG   MET 100          1HG       MET 100  -3.118  11.041   3.196
  824   1HE   MET 100          1HE       MET 100  -5.304  12.136   2.403
  825   2HE   MET 100          2HE       MET 100  -6.502  12.006   3.688
  826   3HE   MET 100          3HE       MET 100  -6.806  11.244   2.129
  827    H    ARG 101           H        ARG 101  -0.167  10.027   5.801
  828    HA   ARG 101           HA       ARG 101   0.777  12.398   4.499
  829   1HB   ARG 101          2HB       ARG 101   2.071  10.622   6.599
  830   2HB   ARG 101          1HB       ARG 101   2.525  12.292   6.261
  831   1HG   ARG 101          2HG       ARG 101  -0.352  11.731   6.855
  832   2HG   ARG 101          1HG       ARG 101   0.786  11.679   8.198
  833   1HD   ARG 101          2HD       ARG 101   0.642  13.933   8.299
  834   2HD   ARG 101          1HD       ARG 101   1.456  14.003   6.725
  835    HE   ARG 101           HE       ARG 101  -0.973  13.549   5.812
  836   1HH1  ARG 101          1HH2      ARG 101  -0.147  15.453   8.616
  837   2HH1  ARG 101          2HH2      ARG 101  -1.563  16.435   8.507
  838   1HH2  ARG 101          1HH1      ARG 101  -2.806  14.851   5.685
  839   2HH2  ARG 101          2HH1      ARG 101  -3.060  16.101   6.856
  840    H    ALA 102           H        ALA 102   2.124   9.084   4.625
  841    HA   ALA 102           HA       ALA 102   4.546   9.606   3.185
  842   1HB   ALA 102          1HB       ALA 102   4.282   7.574   4.419
  843   2HB   ALA 102          2HB       ALA 102   4.309   7.087   2.723
  844   3HB   ALA 102          3HB       ALA 102   2.775   7.184   3.587
  845    H    ILE 103           H        ILE 103   1.306   8.574   2.060
  846    HA   ILE 103           HA       ILE 103   1.919   8.276  -0.716
  847    HB   ILE 103           HB       ILE 103  -0.605   9.087   0.774
  848   1HG1  ILE 103          2HG1      ILE 103  -0.033   6.408  -0.476
  849   2HG1  ILE 103          1HG1      ILE 103   0.624   6.792   1.116
  850   1HG2  ILE 103          1HG2      ILE 103  -0.206   8.221  -2.106
  851   2HG2  ILE 103          2HG2      ILE 103  -0.876   9.750  -1.539
  852   3HG2  ILE 103          3HG2      ILE 103  -1.773   8.252  -1.299
  853   1HD1  ILE 103          1HD1      ILE 103  -2.308   6.998   0.370
  854   2HD1  ILE 103          2HD1      ILE 103  -1.615   7.258   1.969
  855   3HD1  ILE 103          3HD1      ILE 103  -1.590   5.649   1.249
  856    H    GLN 104           H        GLN 104   0.897  11.122   1.177
  857    HA   GLN 104           HA       GLN 104   0.623  12.946  -1.029
  858   1HB   GLN 104          2HB       GLN 104  -0.352  13.327   1.174
  859   2HB   GLN 104          1HB       GLN 104   1.244  13.316   1.921
  860   1HG   GLN 104          2HG       GLN 104   0.613  15.622   1.681
  861   2HG   GLN 104          1HG       GLN 104   1.829  15.301   0.445
  862   1HE2  GLN 104          1HE2      GLN 104   1.066  15.078  -1.813
  863   2HE2  GLN 104          2HE2      GLN 104  -0.450  15.689  -2.273
  864    H    MET 105           H        MET 105   3.391  12.158   1.101
  865    HA   MET 105           HA       MET 105   5.179  14.169   0.079
  866   1HB   MET 105          2HB       MET 105   5.228  12.607   2.187
  867   2HB   MET 105          1HB       MET 105   6.049  11.476   1.110
  868   1HG   MET 105          2HG       MET 105   7.904  12.852   0.851
  869   2HG   MET 105          1HG       MET 105   6.994  14.320   1.208
  870   1HE   MET 105          1HE       MET 105   7.289  15.538   3.458
  871   2HE   MET 105          2HE       MET 105   6.748  14.647   4.878
  872   3HE   MET 105          3HE       MET 105   5.765  14.641   3.416
  873    H    VAL 106           H        VAL 106   4.625  10.762  -0.856
  874    HA   VAL 106           HA       VAL 106   6.730  10.593  -2.807
  875    HB   VAL 106           HB       VAL 106   4.070   9.155  -2.503
  876   1HG1  VAL 106          1HG1      VAL 106   4.554   7.924  -4.333
  877   2HG1  VAL 106          2HG1      VAL 106   6.210   7.659  -3.786
  878   3HG1  VAL 106          3HG1      VAL 106   5.807   9.106  -4.708
  879   1HG2  VAL 106          1HG2      VAL 106   5.111   8.241  -0.716
  880   2HG2  VAL 106          2HG2      VAL 106   6.628   9.046  -1.117
  881   3HG2  VAL 106          3HG2      VAL 106   6.237   7.488  -1.846
  882    H    ALA 107           H        ALA 107   3.302  11.573  -3.061
  883    HA   ALA 107           HA       ALA 107   3.229  11.863  -5.923
  884   1HB   ALA 107          1HB       ALA 107   1.675  12.811  -3.543
  885   2HB   ALA 107          2HB       ALA 107   1.139  11.832  -4.910
  886   3HB   ALA 107          3HB       ALA 107   1.350  13.573  -5.101
  887    H    ASN 108           H        ASN 108   4.174  14.078  -3.297
  888    HA   ASN 108           HA       ASN 108   4.382  16.498  -4.797
  889   1HB   ASN 108          2HB       ASN 108   5.461  15.333  -2.274
  890   2HB   ASN 108          1HB       ASN 108   6.304  16.746  -2.908
  891   1HD2  ASN 108          1HD2      ASN 108   3.276  15.633  -1.484
  892   2HD2  ASN 108          2HD2      ASN 108   2.578  17.171  -1.321
  893    H    SER 109           H        SER 109   6.735  13.857  -4.287
  894    HA   SER 109           HA       SER 109   8.810  15.203  -5.884
  895   1HB   SER 109          2HB       SER 109   9.975  12.993  -5.450
  896   2HB   SER 109          1HB       SER 109   9.452  13.837  -3.995
  897    HG   SER 109           HG       SER 109   8.282  12.153  -3.570
  898    H    LEU 110           H        LEU 110   6.316  12.746  -6.369
  899    HA   LEU 110           HA       LEU 110   7.302  11.653  -8.847
  900   1HB   LEU 110          2HB       LEU 110   4.891  11.606  -7.153
  901   2HB   LEU 110          1HB       LEU 110   4.545  11.392  -8.865
  902    HG   LEU 110           HG       LEU 110   5.894   9.449  -9.016
  903   1HD1  LEU 110          1HD1      LEU 110   7.176  10.554  -6.549
  904   2HD1  LEU 110          2HD1      LEU 110   7.924   9.833  -7.974
  905   3HD1  LEU 110          3HD1      LEU 110   7.168   8.803  -6.759
  906   1HD2  LEU 110          1HD2      LEU 110   4.703   9.334  -6.234
  907   2HD2  LEU 110          2HD2      LEU 110   4.972   7.980  -7.332
  908   3HD2  LEU 110          3HD2      LEU 110   3.755   9.199  -7.714
  909    H    LYS 111           H        LYS 111   5.042  14.311  -8.094
  910    HA   LYS 111           HA       LYS 111   4.289  16.120  -9.389
  911   1HB   LYS 111          2HB       LYS 111   6.566  15.273 -11.215
  912   2HB   LYS 111          1HB       LYS 111   5.809  16.863 -11.154
  913   1HG   LYS 111          2HG       LYS 111   6.575  17.152  -8.830
  914   2HG   LYS 111          1HG       LYS 111   7.317  15.553  -8.869
  915   1HD   LYS 111          2HD       LYS 111   8.058  17.539 -10.990
  916   2HD   LYS 111          1HD       LYS 111   8.769  17.702  -9.383
  917   1HE   LYS 111          2HE       LYS 111   9.736  15.497  -9.492
  918   2HE   LYS 111          1HE       LYS 111   8.817  15.105 -10.959
  919   1HZ   LYS 111          1HZ       LYS 111  11.103  15.831 -11.460
  920   2HZ   LYS 111          2HZ       LYS 111  10.781  17.330 -10.728
  921   3HZ   LYS 111          3HZ       LYS 111   9.941  16.869 -12.133
  Start of MODEL   10
    1   1H    MET   1          1H        MET   1  19.636  -1.447  -9.835
    2   2H    MET   1          2H        MET   1  18.597  -2.378  -8.866
    3   3H    MET   1          3H        MET   1  20.201  -2.876  -9.117
    4    HA   MET   1           HA       MET   1  20.002  -1.916  -6.914
    5   1HB   MET   1          2HB       MET   1  21.560  -0.698  -9.153
    6   2HB   MET   1          1HB       MET   1  21.610   0.138  -7.601
    7   1HG   MET   1          2HG       MET   1  22.066  -2.837  -7.760
    8   2HG   MET   1          1HG       MET   1  23.386  -1.704  -8.052
    9   1HE   MET   1          1HE       MET   1  23.700  -3.276  -4.396
   10   2HE   MET   1          2HE       MET   1  24.477  -3.156  -5.974
   11   3HE   MET   1          3HE       MET   1  22.939  -4.002  -5.819
   12    H    ASN   2           H        ASN   2  19.650   0.769  -9.277
   13    HA   ASN   2           HA       ASN   2  18.309   2.701  -9.238
   14   1HB   ASN   2          2HB       ASN   2  16.646   0.859  -7.483
   15   2HB   ASN   2          1HB       ASN   2  16.066   2.363  -8.195
   16   1HD2  ASN   2          1HD2      ASN   2  15.874   2.446 -10.585
   17   2HD2  ASN   2          2HD2      ASN   2  15.776   1.010 -11.485
   18    H    GLU   3           H        GLU   3  17.086   4.193  -7.468
   19    HA   GLU   3           HA       GLU   3  18.671   4.214  -4.929
   20   1HB   GLU   3          2HB       GLU   3  19.121   6.609  -5.303
   21   2HB   GLU   3          1HB       GLU   3  19.736   5.657  -6.653
   22   1HG   GLU   3          2HG       GLU   3  16.948   6.474  -7.039
   23   2HG   GLU   3          1HG       GLU   3  18.037   7.849  -6.858
   24    H    VAL   4           H        VAL   4  15.952   3.381  -5.246
   25    HA   VAL   4           HA       VAL   4  14.263   5.670  -4.402
   26    HB   VAL   4           HB       VAL   4  13.751   2.744  -5.016
   27   1HG1  VAL   4          1HG1      VAL   4  12.162   3.649  -3.309
   28   2HG1  VAL   4          2HG1      VAL   4  11.372   3.253  -4.834
   29   3HG1  VAL   4          3HG1      VAL   4  11.732   4.933  -4.439
   30   1HG2  VAL   4          1HG2      VAL   4  13.439   3.426  -7.148
   31   2HG2  VAL   4          2HG2      VAL   4  14.142   4.973  -6.676
   32   3HG2  VAL   4          3HG2      VAL   4  12.393   4.750  -6.633
   33    H    SER   5           H        SER   5  14.193   6.154  -2.253
   34    HA   SER   5           HA       SER   5  14.961   4.131  -0.229
   35   1HB   SER   5          2HB       SER   5  14.511   7.098  -0.359
   36   2HB   SER   5          1HB       SER   5  14.478   6.301   1.211
   37    HG   SER   5           HG       SER   5  16.584   7.102   0.310
   38    H    VAL   6           H        VAL   6  13.538   3.798   1.680
   39    HA   VAL   6           HA       VAL   6  10.712   3.519   0.864
   40    HB   VAL   6           HB       VAL   6  12.329   2.684   3.292
   41   1HG1  VAL   6          1HG1      VAL   6  10.253   1.155   3.607
   42   2HG1  VAL   6          2HG1      VAL   6   9.415   2.333   2.599
   43   3HG1  VAL   6          3HG1      VAL   6  10.130   2.833   4.131
   44   1HG2  VAL   6          1HG2      VAL   6  11.259   1.224   0.858
   45   2HG2  VAL   6          2HG2      VAL   6  11.916   0.402   2.273
   46   3HG2  VAL   6          3HG2      VAL   6  12.950   1.453   1.306
   47    H    ILE   7           H        ILE   7   9.014   4.701   1.743
   48    HA   ILE   7           HA       ILE   7   9.743   7.073   3.385
   49    HB   ILE   7           HB       ILE   7   7.582   6.265   1.479
   50   1HG1  ILE   7          2HG1      ILE   7   7.952   8.619   0.729
   51   2HG1  ILE   7          1HG1      ILE   7   9.124   8.821   2.031
   52   1HG2  ILE   7          1HG2      ILE   7   6.219   8.256   2.271
   53   2HG2  ILE   7          2HG2      ILE   7   7.199   8.249   3.738
   54   3HG2  ILE   7          3HG2      ILE   7   6.186   6.860   3.347
   55   1HD1  ILE   7          1HD1      ILE   7   9.406   6.561   0.061
   56   2HD1  ILE   7          2HD1      ILE   7  10.646   7.313   1.065
   57   3HD1  ILE   7          3HD1      ILE   7  10.002   8.173  -0.332
   58    H    LYS   8           H        LYS   8   7.534   4.245   3.447
   59    HA   LYS   8           HA       LYS   8   7.484   4.422   6.404
   60   1HB   LYS   8          2HB       LYS   8   5.612   5.811   5.032
   61   2HB   LYS   8          1HB       LYS   8   4.809   4.243   5.110
   62   1HG   LYS   8          2HG       LYS   8   6.052   5.115   7.647
   63   2HG   LYS   8          1HG       LYS   8   4.708   6.120   7.104
   64   1HD   LYS   8          2HD       LYS   8   3.176   4.350   7.184
   65   2HD   LYS   8          1HD       LYS   8   4.440   3.125   7.081
   66   1HE   LYS   8          2HE       LYS   8   5.213   4.163   9.398
   67   2HE   LYS   8          1HE       LYS   8   3.522   4.694   9.471
   68   1HZ   LYS   8          1HZ       LYS   8   2.824   2.431   8.973
   69   2HZ   LYS   8          2HZ       LYS   8   3.766   2.466  10.388
   70   3HZ   LYS   8          3HZ       LYS   8   4.441   1.919   8.927
   71    H    GLU   9           H        GLU   9   7.259   2.419   7.317
   72    HA   GLU   9           HA       GLU   9   6.383   0.130   5.580
   73   1HB   GLU   9          2HB       GLU   9   8.773   0.502   7.395
   74   2HB   GLU   9          1HB       GLU   9   8.180  -1.111   6.998
   75   1HG   GLU   9          2HG       GLU   9   8.332  -0.452   4.553
   76   2HG   GLU   9          1HG       GLU   9   9.176   1.004   5.078
   77    H    GLY  10           H        GLY  10   4.846  -1.170   6.583
   78   1HA   GLY  10          2HA       GLY  10   4.715  -1.498   9.455
   79   2HA   GLY  10          1HA       GLY  10   3.472  -0.389   8.889
   80    H    TRP  11           H        TRP  11   2.680  -2.722  10.083
   81    HA   TRP  11           HA       TRP  11   2.081  -4.730   7.986
   82   1HB   TRP  11          2HB       TRP  11   1.818  -4.445  10.965
   83   2HB   TRP  11          1HB       TRP  11   0.814  -5.639  10.143
   84    HD1  TRP  11           HD       TRP  11   4.467  -4.791  10.898
   85    HE1  TRP  11           1HE      TRP  11   5.914  -6.890  10.451
   86    HE3  TRP  11           3HE      TRP  11   0.964  -7.852   8.785
   87    HZ2  TRP  11           2HZ      TRP  11   5.618  -9.495   9.330
   88    HZ3  TRP  11           3HZ      TRP  11   1.577 -10.134   8.039
   89    HH2  TRP  11           HH       TRP  11   3.901 -10.957   8.311
   90    H    LEU  12           H        LEU  12   0.051  -4.933   7.027
   91    HA   LEU  12           HA       LEU  12  -2.119  -3.084   7.979
   92   1HB   LEU  12          2HB       LEU  12  -1.168  -3.784   5.184
   93   2HB   LEU  12          1HB       LEU  12  -2.670  -2.919   5.502
   94    HG   LEU  12           HG       LEU  12   0.115  -2.010   6.298
   95   1HD1  LEU  12          1HD1      LEU  12  -1.421  -1.718   3.892
   96   2HD1  LEU  12          2HD1      LEU  12   0.163  -1.042   4.269
   97   3HD1  LEU  12          3HD1      LEU  12  -1.298  -0.142   4.674
   98   1HD2  LEU  12          1HD2      LEU  12  -2.590  -1.209   7.155
   99   2HD2  LEU  12          2HD2      LEU  12  -1.601   0.132   6.580
  100   3HD2  LEU  12          3HD2      LEU  12  -1.031  -0.878   7.908
  101    H    HIS  13           H        HIS  13  -4.289  -3.895   7.679
  102    HA   HIS  13           HA       HIS  13  -4.432  -6.878   7.496
  103   1HB   HIS  13          2HB       HIS  13  -5.890  -4.676   8.850
  104   2HB   HIS  13          1HB       HIS  13  -6.901  -6.002   8.275
  105    HD1  HIS  13           1HD      HIS  13  -6.949  -8.066   9.694
  106    HD2  HIS  13           2HD      HIS  13  -3.664  -5.656  10.578
  107    HE1  HIS  13           1HE      HIS  13  -5.794  -9.128  11.683
  108    H    LYS  14           H        LYS  14  -4.814  -7.544   5.393
  109    HA   LYS  14           HA       LYS  14  -6.854  -6.009   3.806
  110   1HB   LYS  14          2HB       LYS  14  -4.184  -6.213   3.301
  111   2HB   LYS  14          1HB       LYS  14  -4.790  -7.604   2.400
  112   1HG   LYS  14          2HG       LYS  14  -6.608  -5.847   1.577
  113   2HG   LYS  14          1HG       LYS  14  -5.341  -4.691   1.987
  114   1HD   LYS  14          2HD       LYS  14  -3.994  -5.359   0.273
  115   2HD   LYS  14          1HD       LYS  14  -4.437  -7.055   0.453
  116   1HE   LYS  14          2HE       LYS  14  -5.638  -6.735  -1.466
  117   2HE   LYS  14          1HE       LYS  14  -6.810  -5.916  -0.415
  118   1HZ   LYS  14          1HZ       LYS  14  -5.865  -3.839  -0.848
  119   2HZ   LYS  14          2HZ       LYS  14  -5.875  -4.593  -2.371
  120   3HZ   LYS  14          3HZ       LYS  14  -4.435  -4.502  -1.477
  121    H    ARG  15           H        ARG  15  -8.434  -7.224   2.766
  122    HA   ARG  15           HA       ARG  15  -8.780 -10.017   3.591
  123   1HB   ARG  15          2HB       ARG  15 -10.943  -9.757   2.508
  124   2HB   ARG  15          1HB       ARG  15 -10.599  -8.288   3.417
  125   1HG   ARG  15          2HG       ARG  15  -9.633  -7.351   1.227
  126   2HG   ARG  15          1HG       ARG  15 -10.414  -8.718   0.433
  127   1HD   ARG  15          2HD       ARG  15 -12.411  -7.694   2.101
  128   2HD   ARG  15          1HD       ARG  15 -11.610  -6.255   1.441
  129    HE   ARG  15           HE       ARG  15 -12.068  -8.311  -0.578
  130   1HH1  ARG  15          1HH2      ARG  15 -13.460  -5.653   1.173
  131   2HH1  ARG  15          2HH2      ARG  15 -14.573  -5.242  -0.084
  132   1HH2  ARG  15          1HH1      ARG  15 -13.511  -7.773  -2.223
  133   2HH2  ARG  15          2HH1      ARG  15 -14.602  -6.444  -2.013
  134    H    GLY  16           H        GLY  16  -8.711 -11.846   2.182
  135   1HA   GLY  16          2HA       GLY  16  -8.050 -11.446  -0.665
  136   2HA   GLY  16          1HA       GLY  16  -6.775 -12.179   0.303
  137    H    GLU  17           H        GLU  17  -8.123 -13.924   1.942
  138    HA   GLU  17           HA       GLU  17  -8.619 -16.176   0.276
  139   1HB   GLU  17          2HB       GLU  17  -8.890 -15.418   3.131
  140   2HB   GLU  17          1HB       GLU  17  -9.850 -16.806   2.620
  141   1HG   GLU  17          2HG       GLU  17  -8.011 -18.100   2.642
  142   2HG   GLU  17          1HG       GLU  17  -7.257 -17.052   1.439
  143    H    TYR  18           H        TYR  18 -10.577 -17.315  -0.176
  144    HA   TYR  18           HA       TYR  18 -12.815 -15.743  -1.031
  145   1HB   TYR  18          2HB       TYR  18 -13.765 -17.907  -1.591
  146   2HB   TYR  18          1HB       TYR  18 -12.032 -17.980  -1.900
  147    HD1  TYR  18           1HD      TYR  18 -10.593 -19.435  -0.630
  148    HD2  TYR  18           2HD      TYR  18 -14.718 -18.958   0.471
  149    HE1  TYR  18           1HE      TYR  18 -10.399 -21.353   0.928
  150    HE2  TYR  18           2HE      TYR  18 -14.524 -20.877   2.029
  151    HH   TYR  18           HH       TYR  18 -12.683 -23.084   2.003
  152    H    ILE  19           H        ILE  19 -12.035 -17.026   2.101
  153    HA   ILE  19           HA       ILE  19 -14.759 -17.260   3.103
  154    HB   ILE  19           HB       ILE  19 -12.778 -18.504   3.952
  155   1HG1  ILE  19          2HG1      ILE  19 -13.656 -16.782   6.244
  156   2HG1  ILE  19          1HG1      ILE  19 -14.876 -17.716   5.377
  157   1HG2  ILE  19          1HG2      ILE  19 -11.560 -16.707   5.699
  158   2HG2  ILE  19          2HG2      ILE  19 -11.737 -15.785   4.207
  159   3HG2  ILE  19          3HG2      ILE  19 -10.871 -17.322   4.197
  160   1HD1  ILE  19          1HD1      ILE  19 -12.405 -18.775   6.771
  161   2HD1  ILE  19          2HD1      ILE  19 -13.405 -19.753   5.697
  162   3HD1  ILE  19          3HD1      ILE  19 -14.088 -19.096   7.185
  163    H    LYS  20           H        LYS  20 -13.113 -14.529   2.159
  164    HA   LYS  20           HA       LYS  20 -13.414 -12.241   2.582
  165   1HB   LYS  20          2HB       LYS  20 -15.818 -13.360   2.620
  166   2HB   LYS  20          1HB       LYS  20 -15.751 -12.944   4.333
  167   1HG   LYS  20          2HG       LYS  20 -16.131 -10.767   3.894
  168   2HG   LYS  20          1HG       LYS  20 -14.833 -10.725   2.701
  169   1HD   LYS  20          2HD       LYS  20 -16.446 -10.505   1.134
  170   2HD   LYS  20          1HD       LYS  20 -16.836 -12.197   1.441
  171   1HE   LYS  20          2HE       LYS  20 -18.916 -11.304   1.903
  172   2HE   LYS  20          1HE       LYS  20 -18.187 -11.035   3.497
  173   1HZ   LYS  20          1HZ       LYS  20 -18.094  -9.108   1.230
  174   2HZ   LYS  20          2HZ       LYS  20 -17.454  -8.860   2.785
  175   3HZ   LYS  20          3HZ       LYS  20 -19.132  -8.983   2.565
  176    H    THR  21           H        THR  21 -11.387 -12.829   4.017
  177    HA   THR  21           HA       THR  21 -11.955 -11.846   6.790
  178    HB   THR  21           HB       THR  21  -9.915 -13.971   6.086
  179    HG1  THR  21           1HG      THR  21 -12.631 -14.214   6.855
  180   1HG2  THR  21          1HG2      THR  21 -11.269 -13.363   8.719
  181   2HG2  THR  21          2HG2      THR  21  -9.742 -12.626   8.234
  182   3HG2  THR  21          3HG2      THR  21  -9.850 -14.374   8.444
  183    H    TRP  22           H        TRP  22 -10.501 -10.285   7.468
  184    HA   TRP  22           HA       TRP  22  -8.517  -9.316   5.488
  185   1HB   TRP  22          2HB       TRP  22  -9.559  -8.243   8.134
  186   2HB   TRP  22          1HB       TRP  22  -8.444  -7.375   7.081
  187    HD1  TRP  22           HD       TRP  22 -12.014  -8.831   7.052
  188    HE1  TRP  22           1HE      TRP  22 -13.434  -7.474   5.383
  189    HE3  TRP  22           3HE      TRP  22  -8.415  -5.773   5.111
  190    HZ2  TRP  22           2HZ      TRP  22 -13.091  -5.373   3.481
  191    HZ3  TRP  22           3HZ      TRP  22  -8.989  -4.105   3.371
  192    HH2  TRP  22           HH       TRP  22 -11.322  -3.902   2.554
  193    H    ARG  23           H        ARG  23  -6.529 -10.295   5.620
  194    HA   ARG  23           HA       ARG  23  -5.495 -11.158   8.285
  195   1HB   ARG  23          2HB       ARG  23  -5.044 -11.879   5.407
  196   2HB   ARG  23          1HB       ARG  23  -3.765 -12.214   6.575
  197   1HG   ARG  23          2HG       ARG  23  -6.486 -13.004   7.435
  198   2HG   ARG  23          1HG       ARG  23  -5.837 -13.915   6.073
  199   1HD   ARG  23          2HD       ARG  23  -3.981 -13.461   8.366
  200   2HD   ARG  23          1HD       ARG  23  -5.304 -14.613   8.622
  201    HE   ARG  23           HE       ARG  23  -3.105 -14.907   6.677
  202   1HH1  ARG  23          1HH2      ARG  23  -6.262 -15.926   7.745
  203   2HH1  ARG  23          2HH2      ARG  23  -6.181 -17.439   6.913
  204   1HH2  ARG  23          1HH1      ARG  23  -3.017 -16.888   5.608
  205   2HH2  ARG  23          2HH1      ARG  23  -4.352 -17.985   5.713
  206    HA   PRO  24           HA       PRO  24  -2.580  -7.857   8.326
  207   1HB   PRO  24          2HB       PRO  24  -0.665  -8.959   9.936
  208   2HB   PRO  24          1HB       PRO  24  -2.226  -8.375  10.544
  209   1HG   PRO  24          2HG       PRO  24  -1.334 -11.152   9.982
  210   2HG   PRO  24          1HG       PRO  24  -2.370 -10.538  11.278
  211   1HD   PRO  24          2HD       PRO  24  -3.300 -11.815   9.041
  212   2HD   PRO  24          1HD       PRO  24  -4.255 -10.667  10.004
  213    H    ARG  25           H        ARG  25  -0.954  -7.241   6.960
  214    HA   ARG  25           HA       ARG  25   1.011  -9.261   5.967
  215   1HB   ARG  25          2HB       ARG  25  -1.073  -7.716   4.481
  216   2HB   ARG  25          1HB       ARG  25   0.501  -7.899   3.700
  217   1HG   ARG  25          2HG       ARG  25   0.320 -10.395   4.258
  218   2HG   ARG  25          1HG       ARG  25  -1.374 -10.081   4.632
  219   1HD   ARG  25          2HD       ARG  25  -1.385  -8.932   2.248
  220   2HD   ARG  25          1HD       ARG  25   0.025  -9.976   1.976
  221    HE   ARG  25           HE       ARG  25  -2.102 -11.463   3.243
  222   1HH1  ARG  25          1HH2      ARG  25  -1.079 -10.117   0.202
  223   2HH1  ARG  25          2HH2      ARG  25  -1.961 -11.271  -0.739
  224   1HH2  ARG  25          1HH1      ARG  25  -3.249 -12.957   2.006
  225   2HH2  ARG  25          2HH1      ARG  25  -3.189 -12.869   0.277
  226    H    TYR  26           H        TYR  26   3.060  -8.337   5.604
  227    HA   TYR  26           HA       TYR  26   3.572  -5.718   6.770
  228   1HB   TYR  26          2HB       TYR  26   5.035  -7.800   6.814
  229   2HB   TYR  26          1HB       TYR  26   5.399  -7.490   5.119
  230    HD1  TYR  26           1HD      TYR  26   4.888  -4.892   7.741
  231    HD2  TYR  26           2HD      TYR  26   7.727  -6.986   5.287
  232    HE1  TYR  26           1HE      TYR  26   6.651  -3.282   8.405
  233    HE2  TYR  26           2HE      TYR  26   9.489  -5.376   5.955
  234    HH   TYR  26           HH       TYR  26   9.449  -2.858   6.800
  235    H    PHE  27           H        PHE  27   3.178  -3.852   5.667
  236    HA   PHE  27           HA       PHE  27   3.422  -3.849   2.678
  237   1HB   PHE  27          2HB       PHE  27   1.628  -2.630   4.705
  238   2HB   PHE  27          1HB       PHE  27   2.035  -1.602   3.334
  239    HD1  PHE  27           1HD      PHE  27   0.598  -1.705   1.517
  240    HD2  PHE  27           2HD      PHE  27   1.142  -5.207   3.944
  241    HE1  PHE  27           1HE      PHE  27  -1.039  -2.932   0.115
  242    HE2  PHE  27           2HE      PHE  27  -0.492  -6.434   2.540
  243    HZ   PHE  27           HZ       PHE  27  -1.583  -5.295   0.628
  244    H    LEU  28           H        LEU  28   4.930  -2.489   1.754
  245    HA   LEU  28           HA       LEU  28   6.291  -0.481   3.532
  246   1HB   LEU  28          2HB       LEU  28   7.676  -1.887   1.257
  247   2HB   LEU  28          1HB       LEU  28   8.372  -1.205   2.723
  248    HG   LEU  28           HG       LEU  28   6.637  -3.694   2.612
  249   1HD1  LEU  28          1HD1      LEU  28   9.509  -3.711   3.435
  250   2HD1  LEU  28          2HD1      LEU  28   9.150  -3.597   1.711
  251   3HD1  LEU  28          3HD1      LEU  28   8.559  -4.970   2.645
  252   1HD2  LEU  28          1HD2      LEU  28   6.571  -3.623   4.872
  253   2HD2  LEU  28          2HD2      LEU  28   7.119  -1.953   4.741
  254   3HD2  LEU  28          3HD2      LEU  28   8.289  -3.249   4.977
  255    H    LEU  29           H        LEU  29   6.101   1.569   2.731
  256    HA   LEU  29           HA       LEU  29   5.328   1.937  -0.133
  257   1HB   LEU  29          2HB       LEU  29   4.057   2.889   1.900
  258   2HB   LEU  29          1HB       LEU  29   5.419   3.987   2.101
  259    HG   LEU  29           HG       LEU  29   3.371   4.800   0.717
  260   1HD1  LEU  29          1HD1      LEU  29   6.220   5.211   0.438
  261   2HD1  LEU  29          2HD1      LEU  29   4.909   6.380   0.296
  262   3HD1  LEU  29          3HD1      LEU  29   5.413   5.445  -1.112
  263   1HD2  LEU  29          1HD2      LEU  29   3.189   4.100  -1.530
  264   2HD2  LEU  29          2HD2      LEU  29   3.457   2.594  -0.655
  265   3HD2  LEU  29          3HD2      LEU  29   4.788   3.356  -1.523
  266    H    LYS  30           H        LYS  30   6.913   2.579  -1.549
  267    HA   LYS  30           HA       LYS  30   9.505   3.562  -0.448
  268   1HB   LYS  30          2HB       LYS  30   8.570   2.299  -3.026
  269   2HB   LYS  30          1HB       LYS  30  10.172   3.022  -2.886
  270   1HG   LYS  30          2HG       LYS  30   9.748   1.384  -0.582
  271   2HG   LYS  30          1HG       LYS  30   9.322   0.436  -2.007
  272   1HD   LYS  30          2HD       LYS  30  11.852   2.060  -2.015
  273   2HD   LYS  30          1HD       LYS  30  11.824   0.502  -1.191
  274   1HE   LYS  30          2HE       LYS  30  10.654   0.563  -3.938
  275   2HE   LYS  30          1HE       LYS  30  12.418   0.706  -3.813
  276   1HZ   LYS  30          1HZ       LYS  30  12.420  -1.225  -2.333
  277   2HZ   LYS  30          2HZ       LYS  30  11.771  -1.618  -3.852
  278   3HZ   LYS  30          3HZ       LYS  30  10.742  -1.387  -2.522
  279    H    SER  31           H        SER  31  10.663   5.164  -1.966
  280    HA   SER  31           HA       SER  31   9.052   7.585  -2.220
  281   1HB   SER  31          2HB       SER  31  11.657   6.987  -1.727
  282   2HB   SER  31          1HB       SER  31  11.755   7.382  -3.439
  283    HG   SER  31           HG       SER  31  11.918   9.137  -1.746
  284    H    ASP  32           H        ASP  32   9.522   4.941  -4.316
  285    HA   ASP  32           HA       ASP  32   9.511   6.471  -6.833
  286   1HB   ASP  32          2HB       ASP  32  10.640   4.217  -6.291
  287   2HB   ASP  32          1HB       ASP  32   9.027   3.515  -6.403
  288    H    GLY  33           H        GLY  33   7.136   5.803  -4.571
  289   1HA   GLY  33          2HA       GLY  33   4.802   6.122  -4.750
  290   2HA   GLY  33          1HA       GLY  33   4.994   6.307  -6.496
  291    H    SER  34           H        SER  34   6.126   3.612  -4.487
  292    HA   SER  34           HA       SER  34   4.132   1.821  -5.825
  293   1HB   SER  34          2HB       SER  34   6.921   0.850  -5.392
  294   2HB   SER  34          1HB       SER  34   5.802   0.492  -6.702
  295    HG   SER  34           HG       SER  34   7.236   1.820  -7.637
  296    H    PHE  35           H        PHE  35   3.335   0.225  -4.462
  297    HA   PHE  35           HA       PHE  35   4.268   0.295  -1.624
  298   1HB   PHE  35          2HB       PHE  35   1.761   0.347  -2.944
  299   2HB   PHE  35          1HB       PHE  35   1.854  -1.219  -2.139
  300    HD1  PHE  35           1HD      PHE  35   0.670   1.955  -1.680
  301    HD2  PHE  35           2HD      PHE  35   3.181  -0.909   0.306
  302    HE1  PHE  35           1HE      PHE  35   0.192   3.044   0.494
  303    HE2  PHE  35           2HE      PHE  35   2.704   0.181   2.481
  304    HZ   PHE  35           HZ       PHE  35   1.208   2.158   2.576
  305    H    ILE  36           H        ILE  36   5.100  -1.541  -0.672
  306    HA   ILE  36           HA       ILE  36   5.379  -3.986  -2.389
  307    HB   ILE  36           HB       ILE  36   6.880  -3.039   0.087
  308   1HG1  ILE  36          2HG1      ILE  36   7.273  -1.543  -1.822
  309   2HG1  ILE  36          1HG1      ILE  36   8.711  -2.518  -1.517
  310   1HG2  ILE  36          1HG2      ILE  36   7.236  -5.340   0.043
  311   2HG2  ILE  36          2HG2      ILE  36   8.571  -4.761  -0.953
  312   3HG2  ILE  36          3HG2      ILE  36   7.127  -5.426  -1.715
  313   1HD1  ILE  36          1HD1      ILE  36   6.653  -2.872  -3.704
  314   2HD1  ILE  36          2HD1      ILE  36   7.797  -4.145  -3.277
  315   3HD1  ILE  36          3HD1      ILE  36   8.385  -2.594  -3.877
  316    H    GLY  37           H        GLY  37   4.097  -5.693  -1.804
  317   1HA   GLY  37          2HA       GLY  37   2.913  -5.693   0.938
  318   2HA   GLY  37          1HA       GLY  37   2.178  -6.459  -0.468
  319    H    TYR  38           H        TYR  38   3.790  -7.123   2.317
  320    HA   TYR  38           HA       TYR  38   5.100  -9.601   1.242
  321   1HB   TYR  38          2HB       TYR  38   5.914  -7.540   3.012
  322   2HB   TYR  38          1HB       TYR  38   5.643  -8.961   4.017
  323    HD1  TYR  38           1HD      TYR  38   7.719  -7.456   1.407
  324    HD2  TYR  38           2HD      TYR  38   6.890 -11.066   3.587
  325    HE1  TYR  38           1HE      TYR  38   9.885  -8.406   0.662
  326    HE2  TYR  38           2HE      TYR  38   9.055 -12.014   2.839
  327    HH   TYR  38           HH       TYR  38  10.724 -11.063   0.371
  328    H    LYS  39           H        LYS  39   4.077 -11.520   1.761
  329    HA   LYS  39           HA       LYS  39   1.590 -11.587   3.224
  330   1HB   LYS  39          2HB       LYS  39   3.554 -13.654   2.209
  331   2HB   LYS  39          1HB       LYS  39   2.065 -14.115   3.033
  332   1HG   LYS  39          2HG       LYS  39   1.123 -12.290   1.224
  333   2HG   LYS  39          1HG       LYS  39   2.451 -13.014   0.319
  334   1HD   LYS  39          2HD       LYS  39   0.261 -14.586   1.713
  335   2HD   LYS  39          1HD       LYS  39   0.287 -14.221  -0.012
  336   1HE   LYS  39          2HE       LYS  39   2.727 -15.305   0.154
  337   2HE   LYS  39          1HE       LYS  39   1.993 -16.130   1.542
  338   1HZ   LYS  39          1HZ       LYS  39   1.391 -17.468  -0.244
  339   2HZ   LYS  39          2HZ       LYS  39   1.136 -16.153  -1.288
  340   3HZ   LYS  39          3HZ       LYS  39   0.022 -16.487  -0.048
  341    H    GLU  40           H        GLU  40   4.947 -12.049   4.165
  342    HA   GLU  40           HA       GLU  40   4.105 -12.278   7.015
  343   1HB   GLU  40          2HB       GLU  40   4.948 -14.421   5.371
  344   2HB   GLU  40          1HB       GLU  40   6.329 -14.041   6.400
  345   1HG   GLU  40          2HG       GLU  40   3.800 -14.011   7.874
  346   2HG   GLU  40          1HG       GLU  40   4.132 -15.578   7.136
  347    H    ARG  41           H        ARG  41   6.831 -12.767   7.904
  348    HA   ARG  41           HA       ARG  41   7.919 -10.046   7.561
  349   1HB   ARG  41          2HB       ARG  41   8.142 -12.329   9.411
  350   2HB   ARG  41          1HB       ARG  41   9.678 -11.504   9.127
  351   1HG   ARG  41          2HG       ARG  41   8.956  -9.530  10.071
  352   2HG   ARG  41          1HG       ARG  41   7.286  -9.780   9.571
  353   1HD   ARG  41          2HD       ARG  41   7.725 -11.858  11.372
  354   2HD   ARG  41          1HD       ARG  41   8.577 -10.484  12.095
  355    HE   ARG  41           HE       ARG  41   6.508  -9.228  12.094
  356   1HH1  ARG  41          1HH2      ARG  41   6.170 -12.459  10.824
  357   2HH1  ARG  41          2HH2      ARG  41   4.463 -12.504  11.088
  358   1HH2  ARG  41          1HH1      ARG  41   4.283  -9.309  12.421
  359   2HH2  ARG  41          2HH1      ARG  41   3.396 -10.731  11.981
  360    HA   PRO  42           HA       PRO  42  10.687 -11.302   4.343
  361   1HB   PRO  42          2HB       PRO  42  12.421  -9.186   4.466
  362   2HB   PRO  42          1HB       PRO  42  10.802  -9.074   3.748
  363   1HG   PRO  42          2HG       PRO  42  11.741  -8.213   6.439
  364   2HG   PRO  42          1HG       PRO  42  10.609  -7.421   5.331
  365   1HD   PRO  42          2HD       PRO  42   9.817  -8.850   7.506
  366   2HD   PRO  42          1HD       PRO  42   8.831  -8.682   6.037
  367    H    GLU  43           H        GLU  43  12.783 -12.245   4.141
  368    HA   GLU  43           HA       GLU  43  14.564 -12.209   6.531
  369   1HB   GLU  43          2HB       GLU  43  12.705 -14.249   5.903
  370   2HB   GLU  43          1HB       GLU  43  14.290 -14.890   5.467
  371   1HG   GLU  43          2HG       GLU  43  15.139 -14.234   7.717
  372   2HG   GLU  43          1HG       GLU  43  13.513 -13.704   8.149
  373    H    ALA  44           H        ALA  44  14.196 -13.844   3.349
  374    HA   ALA  44           HA       ALA  44  15.671 -14.005   1.516
  375   1HB   ALA  44          1HB       ALA  44  16.716 -12.022   1.029
  376   2HB   ALA  44          2HB       ALA  44  17.486 -11.925   2.612
  377   3HB   ALA  44          3HB       ALA  44  15.802 -11.439   2.419
  378    HA   PRO  45           HA       PRO  45  19.061 -16.474   2.852
  379   1HB   PRO  45          2HB       PRO  45  20.899 -16.131   0.848
  380   2HB   PRO  45          1HB       PRO  45  19.412 -17.078   0.645
  381   1HG   PRO  45          2HG       PRO  45  20.025 -14.307  -0.239
  382   2HG   PRO  45          1HG       PRO  45  19.085 -15.569  -1.048
  383   1HD   PRO  45          2HD       PRO  45  17.969 -13.464   0.299
  384   2HD   PRO  45          1HD       PRO  45  17.164 -15.031   0.065
  385    H    ASP  46           H        ASP  46  20.151 -13.283   1.635
  386    HA   ASP  46           HA       ASP  46  22.031 -13.111   3.969
  387   1HB   ASP  46          2HB       ASP  46  22.322 -12.349   1.050
  388   2HB   ASP  46          1HB       ASP  46  23.386 -11.684   2.290
  389    H    GLN  47           H        GLN  47  20.689 -10.958   1.427
  390    HA   GLN  47           HA       GLN  47  19.188  -9.367   3.362
  391   1HB   GLN  47          2HB       GLN  47  21.837  -8.855   3.339
  392   2HB   GLN  47          1HB       GLN  47  21.343  -7.808   2.009
  393   1HG   GLN  47          2HG       GLN  47  21.153  -6.441   3.940
  394   2HG   GLN  47          1HG       GLN  47  19.501  -6.953   3.595
  395   1HE2  GLN  47          1HE2      GLN  47  18.507  -8.529   5.050
  396   2HE2  GLN  47          2HE2      GLN  47  19.204  -8.913   6.548
  397    H    THR  48           H        THR  48  18.599 -10.729   0.878
  398    HA   THR  48           HA       THR  48  17.782  -8.402  -0.821
  399    HB   THR  48           HB       THR  48  19.699  -9.782  -1.686
  400    HG1  THR  48           1HG      THR  48  18.591  -8.822  -3.268
  401   1HG2  THR  48          1HG2      THR  48  18.239 -11.923  -0.754
  402   2HG2  THR  48          2HG2      THR  48  19.606 -12.035  -1.861
  403   3HG2  THR  48          3HG2      THR  48  17.960 -12.004  -2.494
  404    H    LEU  49           H        LEU  49  16.044  -9.069   1.029
  405    HA   LEU  49           HA       LEU  49  14.291 -11.290   0.561
  406   1HB   LEU  49          2HB       LEU  49  12.737  -9.922   2.004
  407   2HB   LEU  49          1HB       LEU  49  14.353 -10.103   2.677
  408    HG   LEU  49           HG       LEU  49  14.425  -7.791   1.030
  409   1HD1  LEU  49          1HD1      LEU  49  12.355  -7.192   3.046
  410   2HD1  LEU  49          2HD1      LEU  49  11.794  -8.183   1.699
  411   3HD1  LEU  49          3HD1      LEU  49  12.519  -6.606   1.390
  412   1HD2  LEU  49          1HD2      LEU  49  14.506  -8.389   3.981
  413   2HD2  LEU  49          2HD2      LEU  49  14.554  -6.718   3.417
  414   3HD2  LEU  49          3HD2      LEU  49  15.812  -7.851   2.923
  415    HA   PRO  50           HA       PRO  50  12.470  -9.512  -3.146
  416   1HB   PRO  50          2HB       PRO  50  11.124 -11.771  -3.893
  417   2HB   PRO  50          1HB       PRO  50  12.858 -11.539  -4.186
  418   1HG   PRO  50          2HG       PRO  50  11.489 -13.150  -2.105
  419   2HG   PRO  50          1HG       PRO  50  13.001 -13.467  -2.969
  420   1HD   PRO  50          2HD       PRO  50  12.838 -12.506  -0.390
  421   2HD   PRO  50          1HD       PRO  50  14.244 -12.313  -1.457
  422    HA   PRO  51           HA       PRO  51   8.557  -8.533  -1.249
  423   1HB   PRO  51          2HB       PRO  51   7.529  -7.043  -3.302
  424   2HB   PRO  51          1HB       PRO  51   8.781  -6.438  -2.199
  425   1HG   PRO  51          2HG       PRO  51   9.043  -7.474  -4.971
  426   2HG   PRO  51          1HG       PRO  51   9.911  -6.157  -4.169
  427   1HD   PRO  51          2HD       PRO  51  10.947  -8.664  -4.570
  428   2HD   PRO  51          1HD       PRO  51  11.475  -7.558  -3.283
  429    H    LEU  52           H        LEU  52   7.003 -10.127  -1.136
  430    HA   LEU  52           HA       LEU  52   6.363 -11.990  -3.201
  431   1HB   LEU  52          2HB       LEU  52   5.937 -11.875  -0.585
  432   2HB   LEU  52          1HB       LEU  52   4.384 -11.202  -1.082
  433    HG   LEU  52           HG       LEU  52   5.273 -13.631  -2.542
  434   1HD1  LEU  52          1HD1      LEU  52   5.903 -14.065  -0.139
  435   2HD1  LEU  52          2HD1      LEU  52   4.665 -15.155  -0.768
  436   3HD1  LEU  52          3HD1      LEU  52   4.210 -13.819   0.290
  437   1HD2  LEU  52          1HD2      LEU  52   2.727 -12.430  -1.470
  438   2HD2  LEU  52          2HD2      LEU  52   2.771 -14.128  -1.943
  439   3HD2  LEU  52          3HD2      LEU  52   3.131 -12.873  -3.128
  440    H    ASN  53           H        ASN  53   4.329  -9.268  -2.010
  441    HA   ASN  53           HA       ASN  53   2.927  -9.273  -4.660
  442   1HB   ASN  53          2HB       ASN  53   1.701  -9.680  -2.451
  443   2HB   ASN  53          1HB       ASN  53   2.070  -8.005  -2.042
  444   1HD2  ASN  53          1HD2      ASN  53  -0.605  -8.489  -2.206
  445   2HD2  ASN  53          2HD2      ASN  53  -1.262  -7.910  -3.660
  446    H    ASN  54           H        ASN  54   3.021  -7.389  -5.904
  447    HA   ASN  54           HA       ASN  54   4.488  -5.053  -4.701
  448   1HB   ASN  54          2HB       ASN  54   5.617  -6.582  -6.447
  449   2HB   ASN  54          1HB       ASN  54   4.482  -5.896  -7.611
  450   1HD2  ASN  54          1HD2      ASN  54   5.258  -4.072  -8.663
  451   2HD2  ASN  54          2HD2      ASN  54   6.427  -3.009  -8.042
  452    H    PHE  55           H        PHE  55   3.069  -3.381  -4.471
  453    HA   PHE  55           HA       PHE  55   0.751  -3.119  -6.337
  454   1HB   PHE  55          2HB       PHE  55   1.428  -2.438  -3.541
  455   2HB   PHE  55          1HB       PHE  55   0.505  -1.194  -4.383
  456    HD1  PHE  55           1HD      PHE  55  -1.739  -1.679  -5.290
  457    HD2  PHE  55           2HD      PHE  55   0.466  -4.617  -3.060
  458    HE1  PHE  55           1HE      PHE  55  -3.807  -3.020  -5.010
  459    HE2  PHE  55           2HE      PHE  55  -1.602  -5.956  -2.781
  460    HZ   PHE  55           HZ       PHE  55  -3.739  -5.158  -3.757
  461    H    SER  56           H        SER  56   0.378  -1.082  -7.427
  462    HA   SER  56           HA       SER  56   2.798   0.698  -7.597
  463   1HB   SER  56          2HB       SER  56   0.808   0.221  -9.819
  464   2HB   SER  56          1HB       SER  56   2.469   0.791  -9.941
  465    HG   SER  56           HG       SER  56   3.186  -1.259  -9.455
  466    H    VAL  57           H        VAL  57   2.404   2.886  -7.338
  467    HA   VAL  57           HA       VAL  57  -0.376   3.908  -7.618
  468    HB   VAL  57           HB       VAL  57  -0.116   3.124  -5.294
  469   1HG1  VAL  57          1HG1      VAL  57   2.305   3.287  -5.062
  470   2HG1  VAL  57          2HG1      VAL  57   1.532   4.250  -3.803
  471   3HG1  VAL  57          3HG1      VAL  57   2.231   5.042  -5.214
  472   1HG2  VAL  57          1HG2      VAL  57  -1.030   5.015  -4.281
  473   2HG2  VAL  57          2HG2      VAL  57  -1.268   5.385  -5.988
  474   3HG2  VAL  57          3HG2      VAL  57   0.073   6.116  -5.107
  475    H    ALA  58           H        ALA  58   1.351   4.576  -9.493
  476    HA   ALA  58           HA       ALA  58   2.930   6.978  -8.788
  477   1HB   ALA  58          1HB       ALA  58   3.741   5.271 -10.388
  478   2HB   ALA  58          2HB       ALA  58   3.551   6.833 -11.186
  479   3HB   ALA  58          3HB       ALA  58   2.340   5.572 -11.417
  480    H    GLU  59           H        GLU  59   0.012   6.128 -10.631
  481    HA   GLU  59           HA       GLU  59  -0.741   9.032 -10.686
  482   1HB   GLU  59          2HB       GLU  59  -1.824   8.467 -12.886
  483   2HB   GLU  59          1HB       GLU  59  -0.074   8.265 -12.903
  484   1HG   GLU  59          2HG       GLU  59  -0.436   6.166 -13.659
  485   2HG   GLU  59          1HG       GLU  59  -1.036   5.780 -12.049
  486    H    CYS  60           H        CYS  60  -1.425   6.676  -8.824
  487    HA   CYS  60           HA       CYS  60  -4.359   6.428  -9.314
  488   1HB   CYS  60          2HB       CYS  60  -2.253   4.973  -7.737
  489   2HB   CYS  60          1HB       CYS  60  -3.949   4.778  -7.299
  490    H    GLN  61           H        GLN  61  -5.801   6.707  -7.400
  491    HA   GLN  61           HA       GLN  61  -4.777   8.827  -5.535
  492   1HB   GLN  61          2HB       GLN  61  -7.186   9.569  -5.514
  493   2HB   GLN  61          1HB       GLN  61  -6.428   9.678  -7.101
  494   1HG   GLN  61          2HG       GLN  61  -7.537   7.729  -7.885
  495   2HG   GLN  61          1HG       GLN  61  -8.003   7.243  -6.257
  496   1HE2  GLN  61          1HE2      GLN  61 -10.296   7.314  -6.518
  497   2HE2  GLN  61          2HE2      GLN  61 -11.141   8.739  -6.885
  498    H    LEU  62           H        LEU  62  -4.921   8.392  -3.375
  499    HA   LEU  62           HA       LEU  62  -6.321   5.879  -2.537
  500   1HB   LEU  62          2HB       LEU  62  -3.739   7.101  -2.044
  501   2HB   LEU  62          1HB       LEU  62  -4.583   6.831  -0.519
  502    HG   LEU  62           HG       LEU  62  -4.540   4.651  -2.584
  503   1HD1  LEU  62          1HD1      LEU  62  -2.466   4.164  -0.711
  504   2HD1  LEU  62          2HD1      LEU  62  -2.200   5.788  -1.346
  505   3HD1  LEU  62          3HD1      LEU  62  -2.306   4.416  -2.448
  506   1HD2  LEU  62          1HD2      LEU  62  -5.950   4.523  -0.513
  507   2HD2  LEU  62          2HD2      LEU  62  -4.476   4.621   0.451
  508   3HD2  LEU  62          3HD2      LEU  62  -4.746   3.237  -0.609
  509    H    MET  63           H        MET  63  -7.978   6.028  -1.063
  510    HA   MET  63           HA       MET  63  -8.356   8.607   0.420
  511   1HB   MET  63          2HB       MET  63 -10.675   8.632  -0.241
  512   2HB   MET  63          1HB       MET  63  -9.737   8.367  -1.709
  513   1HG   MET  63          2HG       MET  63 -10.102   5.799  -0.981
  514   2HG   MET  63          1HG       MET  63 -11.547   6.500  -0.254
  515   1HE   MET  63          1HE       MET  63  -9.289   6.981  -3.290
  516   2HE   MET  63          2HE       MET  63 -10.303   6.564  -4.668
  517   3HE   MET  63          3HE       MET  63  -9.827   5.312  -3.524
  518    H    LYS  64           H        LYS  64  -9.389   8.346   2.486
  519    HA   LYS  64           HA       LYS  64  -9.223   5.597   3.579
  520   1HB   LYS  64          2HB       LYS  64  -9.362   6.748   5.731
  521   2HB   LYS  64          1HB       LYS  64  -8.192   7.577   4.707
  522   1HG   LYS  64          2HG       LYS  64 -10.730   8.740   4.160
  523   2HG   LYS  64          1HG       LYS  64 -10.581   8.634   5.914
  524   1HD   LYS  64          2HD       LYS  64  -8.199   9.597   5.560
  525   2HD   LYS  64          1HD       LYS  64  -8.778  10.056   3.959
  526   1HE   LYS  64          2HE       LYS  64 -10.530  10.761   6.278
  527   2HE   LYS  64          1HE       LYS  64  -9.044  11.705   6.063
  528   1HZ   LYS  64          1HZ       LYS  64 -10.818  12.663   4.749
  529   2HZ   LYS  64          2HZ       LYS  64 -11.104  11.175   3.980
  530   3HZ   LYS  64          3HZ       LYS  64  -9.644  12.005   3.717
  531    H    THR  65           H        THR  65 -11.037   4.691   4.817
  532    HA   THR  65           HA       THR  65 -13.707   5.923   4.431
  533    HB   THR  65           HB       THR  65 -13.142   4.663   2.352
  534    HG1  THR  65           1HG      THR  65 -15.053   3.469   2.337
  535   1HG2  THR  65          1HG2      THR  65 -11.661   2.972   3.272
  536   2HG2  THR  65          2HG2      THR  65 -13.034   2.166   2.515
  537   3HG2  THR  65          3HG2      THR  65 -12.962   2.322   4.269
  538    H    GLU  66           H        GLU  66 -15.420   4.355   5.429
  539    HA   GLU  66           HA       GLU  66 -14.255   3.099   7.896
  540   1HB   GLU  66          2HB       GLU  66 -16.344   3.808   8.981
  541   2HB   GLU  66          1HB       GLU  66 -15.570   5.188   8.208
  542   1HG   GLU  66          2HG       GLU  66 -17.425   5.551   6.986
  543   2HG   GLU  66          1HG       GLU  66 -17.279   3.943   6.277
  544    H    ARG  67           H        ARG  67 -15.154   2.004   5.061
  545    HA   ARG  67           HA       ARG  67 -16.875  -0.204   6.149
  546   1HB   ARG  67          2HB       ARG  67 -17.545   1.722   4.295
  547   2HB   ARG  67          1HB       ARG  67 -16.997   0.402   3.262
  548   1HG   ARG  67          2HG       ARG  67 -18.527  -0.994   5.005
  549   2HG   ARG  67          1HG       ARG  67 -19.371   0.554   5.040
  550   1HD   ARG  67          2HD       ARG  67 -20.422  -0.522   3.232
  551   2HD   ARG  67          1HD       ARG  67 -19.146   0.397   2.410
  552    HE   ARG  67           HE       ARG  67 -18.498  -2.358   3.328
  553   1HH1  ARG  67          1HH2      ARG  67 -19.140  -0.115   0.736
  554   2HH1  ARG  67          2HH2      ARG  67 -18.520  -1.170  -0.484
  555   1HH2  ARG  67          1HH1      ARG  67 -17.697  -3.719   1.718
  556   2HH2  ARG  67          2HH1      ARG  67 -17.706  -3.196   0.067
  557    HA   PRO  68           HA       PRO  68 -17.439  -2.112   5.760
  558   1HB   PRO  68          2HB       PRO  68 -16.577  -4.435   6.913
  559   2HB   PRO  68          1HB       PRO  68 -17.120  -4.334   5.228
  560   1HG   PRO  68          2HG       PRO  68 -14.361  -4.423   6.324
  561   2HG   PRO  68          1HG       PRO  68 -15.019  -5.162   4.857
  562   1HD   PRO  68          2HD       PRO  68 -13.519  -2.873   4.876
  563   2HD   PRO  68          1HD       PRO  68 -14.695  -3.279   3.610
  564    H    ARG  69           H        ARG  69 -14.193  -2.239   7.252
  565    HA   ARG  69           HA       ARG  69 -15.389  -1.644   9.924
  566   1HB   ARG  69          2HB       ARG  69 -12.956  -2.943   8.843
  567   2HB   ARG  69          1HB       ARG  69 -12.691  -1.967  10.286
  568   1HG   ARG  69          2HG       ARG  69 -13.598  -3.571  11.575
  569   2HG   ARG  69          1HG       ARG  69 -15.092  -3.506  10.641
  570   1HD   ARG  69          2HD       ARG  69 -14.366  -5.749  10.366
  571   2HD   ARG  69          1HD       ARG  69 -13.782  -4.955   8.891
  572    HE   ARG  69           HE       ARG  69 -11.735  -4.583  10.761
  573   1HH1  ARG  69          1HH2      ARG  69 -13.435  -7.301   9.398
  574   2HH1  ARG  69          2HH2      ARG  69 -12.069  -8.357   9.503
  575   1HH2  ARG  69          1HH1      ARG  69  -9.963  -5.972  10.883
  576   2HH2  ARG  69          2HH1      ARG  69 -10.114  -7.611  10.345
  577    HA   PRO  70           HA       PRO  70 -14.041   2.542   9.889
  578   1HB   PRO  70          2HB       PRO  70 -13.076   2.881  12.433
  579   2HB   PRO  70          1HB       PRO  70 -14.808   2.747  12.061
  580   1HG   PRO  70          2HG       PRO  70 -12.927   0.674  13.088
  581   2HG   PRO  70          1HG       PRO  70 -14.605   1.004  13.552
  582   1HD   PRO  70          2HD       PRO  70 -13.916  -1.027  11.899
  583   2HD   PRO  70          1HD       PRO  70 -15.469  -0.171  11.775
  584    H    ASN  71           H        ASN  71 -12.098   3.915   9.925
  585    HA   ASN  71           HA       ASN  71  -9.829   4.342   9.464
  586   1HB   ASN  71          2HB       ASN  71 -10.010   2.432  11.685
  587   2HB   ASN  71          1HB       ASN  71  -8.477   2.322  10.823
  588   1HD2  ASN  71          1HD2      ASN  71  -9.403   3.620  13.537
  589   2HD2  ASN  71          2HD2      ASN  71  -8.680   5.155  13.482
  590    H    THR  72           H        THR  72 -10.887   3.220   7.319
  591    HA   THR  72           HA       THR  72  -9.071   0.951   6.558
  592    HB   THR  72           HB       THR  72 -11.907   1.683   5.775
  593    HG1  THR  72           1HG      THR  72 -12.257   0.317   7.311
  594   1HG2  THR  72          1HG2      THR  72 -11.678  -0.545   4.449
  595   2HG2  THR  72          2HG2      THR  72  -9.946  -0.216   4.506
  596   3HG2  THR  72          3HG2      THR  72 -11.036   0.929   3.726
  597    H    PHE  73           H        PHE  73  -8.231   1.030   4.367
  598    HA   PHE  73           HA       PHE  73  -8.282   3.772   3.138
  599   1HB   PHE  73          2HB       PHE  73  -6.152   1.948   4.016
  600   2HB   PHE  73          1HB       PHE  73  -5.915   2.562   2.379
  601    HD1  PHE  73           1HD      PHE  73  -5.584   3.281   5.853
  602    HD2  PHE  73           2HD      PHE  73  -6.239   5.126   2.032
  603    HE1  PHE  73           1HE      PHE  73  -4.837   5.455   6.774
  604    HE2  PHE  73           2HE      PHE  73  -5.494   7.303   2.956
  605    HZ   PHE  73           HZ       PHE  73  -4.794   7.465   5.328
  606    H    VAL  74           H        VAL  74  -8.755   3.847   0.962
  607    HA   VAL  74           HA       VAL  74  -8.733   1.279  -0.589
  608    HB   VAL  74           HB       VAL  74 -10.907   3.405  -0.563
  609   1HG1  VAL  74          1HG1      VAL  74 -12.166   1.656  -1.854
  610   2HG1  VAL  74          2HG1      VAL  74 -10.679   0.711  -1.939
  611   3HG1  VAL  74          3HG1      VAL  74 -10.765   2.291  -2.716
  612   1HG2  VAL  74          1HG2      VAL  74 -12.245   1.460   0.453
  613   2HG2  VAL  74          2HG2      VAL  74 -11.069   2.237   1.514
  614   3HG2  VAL  74          3HG2      VAL  74 -10.688   0.690   0.759
  615    H    ILE  75           H        ILE  75  -7.855   1.512  -2.625
  616    HA   ILE  75           HA       ILE  75  -7.318   4.301  -3.600
  617    HB   ILE  75           HB       ILE  75  -5.318   3.021  -2.887
  618   1HG1  ILE  75          2HG1      ILE  75  -5.227   3.037  -5.892
  619   2HG1  ILE  75          1HG1      ILE  75  -5.458   4.553  -5.021
  620   1HG2  ILE  75          1HG2      ILE  75  -6.274   0.750  -3.364
  621   2HG2  ILE  75          2HG2      ILE  75  -4.653   0.979  -4.016
  622   3HG2  ILE  75          3HG2      ILE  75  -6.052   1.065  -5.084
  623   1HD1  ILE  75          1HD1      ILE  75  -3.319   4.583  -4.260
  624   2HD1  ILE  75          2HD1      ILE  75  -3.012   3.433  -5.562
  625   3HD1  ILE  75          3HD1      ILE  75  -3.316   2.851  -3.926
  626    H    ARG  76           H        ARG  76  -8.232   4.801  -5.571
  627    HA   ARG  76           HA       ARG  76  -9.187   2.519  -7.283
  628   1HB   ARG  76          2HB       ARG  76 -10.526   5.106  -6.448
  629   2HB   ARG  76          1HB       ARG  76 -11.125   4.118  -7.781
  630   1HG   ARG  76          2HG       ARG  76 -11.724   2.349  -6.381
  631   2HG   ARG  76          1HG       ARG  76 -10.585   2.826  -5.122
  632   1HD   ARG  76          2HD       ARG  76 -12.644   3.495  -4.200
  633   2HD   ARG  76          1HD       ARG  76 -12.095   4.991  -4.980
  634    HE   ARG  76           HE       ARG  76 -13.552   3.327  -6.847
  635   1HH1  ARG  76          1HH2      ARG  76 -13.913   5.532  -4.180
  636   2HH1  ARG  76          2HH2      ARG  76 -15.492   6.046  -4.664
  637   1HH2  ARG  76          1HH1      ARG  76 -15.615   4.003  -7.466
  638   2HH2  ARG  76          2HH1      ARG  76 -16.454   5.182  -6.517
  639    H    CYS  77           H        CYS  77  -8.214   2.593  -9.251
  640    HA   CYS  77           HA       CYS  77  -7.254   5.232 -10.310
  641   1HB   CYS  77          2HB       CYS  77  -6.429   2.461 -11.208
  642   2HB   CYS  77          1HB       CYS  77  -5.544   3.972 -11.402
  643    H    LEU  78           H        LEU  78  -6.967   4.225 -13.032
  644    HA   LEU  78           HA       LEU  78  -9.766   4.492 -13.909
  645   1HB   LEU  78          2HB       LEU  78  -7.156   5.099 -14.877
  646   2HB   LEU  78          1HB       LEU  78  -7.877   3.977 -16.028
  647    HG   LEU  78           HG       LEU  78  -8.394   6.332 -16.599
  648   1HD1  LEU  78          1HD1      LEU  78 -10.001   4.434 -17.067
  649   2HD1  LEU  78          2HD1      LEU  78 -10.755   6.025 -16.960
  650   3HD1  LEU  78          3HD1      LEU  78 -10.872   4.900 -15.607
  651   1HD2  LEU  78          1HD2      LEU  78 -10.082   6.430 -14.096
  652   2HD2  LEU  78          2HD2      LEU  78  -9.613   7.760 -15.154
  653   3HD2  LEU  78          3HD2      LEU  78  -8.415   7.007 -14.101
  654    H    GLN  79           H        GLN  79  -7.246   2.268 -15.160
  655    HA   GLN  79           HA       GLN  79  -7.374   0.001 -15.800
  656   1HB   GLN  79          2HB       GLN  79  -8.713   0.377 -13.211
  657   2HB   GLN  79          1HB       GLN  79  -9.249  -1.072 -14.058
  658   1HG   GLN  79          2HG       GLN  79  -7.063  -1.972 -14.147
  659   2HG   GLN  79          1HG       GLN  79  -6.316  -0.415 -13.780
  660   1HE2  GLN  79          1HE2      GLN  79  -6.949   0.496 -11.508
  661   2HE2  GLN  79          2HE2      GLN  79  -7.085  -0.635 -10.249
  662    H    TRP  80           H        TRP  80  -9.391  -1.823 -15.991
  663    HA   TRP  80           HA       TRP  80 -11.838  -0.662 -17.122
  664   1HB   TRP  80          2HB       TRP  80  -9.834  -0.451 -18.796
  665   2HB   TRP  80          1HB       TRP  80 -10.048  -2.188 -19.014
  666    HD1  TRP  80           HD       TRP  80 -11.967  -2.972 -20.531
  667    HE1  TRP  80           1HE      TRP  80 -13.864  -1.789 -21.816
  668    HE3  TRP  80           3HE      TRP  80 -11.516   1.744 -18.625
  669    HZ2  TRP  80           2HZ      TRP  80 -15.034   0.814 -22.010
  670    HZ3  TRP  80           3HZ      TRP  80 -13.034   3.553 -19.376
  671    HH2  TRP  80           HH       TRP  80 -14.790   3.095 -21.065
  672    H    THR  81           H        THR  81  -9.784  -3.605 -17.380
  673    HA   THR  81           HA       THR  81 -12.061  -5.213 -16.295
  674    HB   THR  81           HB       THR  81 -10.414  -6.026 -18.708
  675    HG1  THR  81           1HG      THR  81 -11.976  -5.175 -19.978
  676   1HG2  THR  81          1HG2      THR  81 -11.723  -7.714 -17.296
  677   2HG2  THR  81          2HG2      THR  81 -12.085  -7.691 -19.021
  678   3HG2  THR  81          3HG2      THR  81 -13.180  -6.913 -17.879
  679    H    THR  82           H        THR  82 -10.671  -5.253 -14.346
  680    HA   THR  82           HA       THR  82  -8.570  -7.361 -14.529
  681    HB   THR  82           HB       THR  82  -7.221  -5.749 -12.965
  682    HG1  THR  82           1HG      THR  82  -8.026  -3.837 -12.758
  683   1HG2  THR  82          1HG2      THR  82  -7.053  -6.338 -15.610
  684   2HG2  THR  82          2HG2      THR  82  -5.932  -5.259 -14.780
  685   3HG2  THR  82          3HG2      THR  82  -7.288  -4.592 -15.689
  686    H    VAL  83           H        VAL  83  -8.323  -8.533 -12.570
  687    HA   VAL  83           HA       VAL  83 -10.412  -7.989 -10.491
  688    HB   VAL  83           HB       VAL  83  -8.895 -10.489 -11.328
  689   1HG1  VAL  83          1HG1      VAL  83 -10.678 -11.559  -9.766
  690   2HG1  VAL  83          2HG1      VAL  83 -10.802  -9.950  -9.055
  691   3HG1  VAL  83          3HG1      VAL  83  -9.264 -10.812  -9.024
  692   1HG2  VAL  83          1HG2      VAL  83 -11.042 -11.247 -12.162
  693   2HG2  VAL  83          2HG2      VAL  83 -10.735  -9.647 -12.837
  694   3HG2  VAL  83          3HG2      VAL  83 -11.854  -9.835 -11.487
  695    H    ILE  84           H        ILE  84  -9.329  -6.639  -9.016
  696    HA   ILE  84           HA       ILE  84  -7.101  -7.861  -7.505
  697    HB   ILE  84           HB       ILE  84  -6.038  -6.706  -9.407
  698   1HG1  ILE  84          2HG1      ILE  84  -5.635  -4.988  -6.952
  699   2HG1  ILE  84          1HG1      ILE  84  -5.071  -6.657  -7.023
  700   1HG2  ILE  84          1HG2      ILE  84  -7.904  -5.052  -9.750
  701   2HG2  ILE  84          2HG2      ILE  84  -6.299  -4.322  -9.761
  702   3HG2  ILE  84          3HG2      ILE  84  -7.322  -4.177  -8.333
  703   1HD1  ILE  84          1HD1      ILE  84  -4.374  -4.821  -9.285
  704   2HD1  ILE  84          2HD1      ILE  84  -3.476  -6.198  -8.642
  705   3HD1  ILE  84          3HD1      ILE  84  -3.485  -4.665  -7.769
  706    H    GLU  85           H        GLU  85  -7.242  -7.285  -5.358
  707    HA   GLU  85           HA       GLU  85  -9.447  -5.577  -4.463
  708   1HB   GLU  85          2HB       GLU  85  -8.185  -7.776  -3.503
  709   2HB   GLU  85          1HB       GLU  85  -7.316  -6.530  -2.610
  710   1HG   GLU  85          2HG       GLU  85  -9.070  -6.778  -1.157
  711   2HG   GLU  85          1HG       GLU  85  -9.841  -5.637  -2.259
  712    H    ARG  86           H        ARG  86  -9.263  -3.403  -4.022
  713    HA   ARG  86           HA       ARG  86  -6.502  -2.250  -3.765
  714   1HB   ARG  86          2HB       ARG  86  -7.404  -0.300  -4.901
  715   2HB   ARG  86          1HB       ARG  86  -7.830  -1.730  -5.834
  716   1HG   ARG  86          2HG       ARG  86  -9.828  -1.073  -3.790
  717   2HG   ARG  86          1HG       ARG  86  -9.612   0.212  -4.974
  718   1HD   ARG  86          2HD       ARG  86 -10.633  -0.993  -6.604
  719   2HD   ARG  86          1HD       ARG  86  -9.699  -2.449  -6.209
  720    HE   ARG  86           HE       ARG  86 -11.559  -1.954  -4.096
  721   1HH1  ARG  86          1HH2      ARG  86 -11.443  -2.945  -7.426
  722   2HH1  ARG  86          2HH2      ARG  86 -12.877  -3.905  -7.312
  723   1HH2  ARG  86          1HH1      ARG  86 -13.416  -3.203  -3.953
  724   2HH2  ARG  86          2HH1      ARG  86 -13.994  -4.055  -5.345
  725    H    THR  87           H        THR  87  -8.231  -3.242  -1.525
  726    HA   THR  87           HA       THR  87  -8.424  -0.658  -0.019
  727    HB   THR  87           HB       THR  87 -10.679  -1.261  -0.628
  728    HG1  THR  87           1HG      THR  87 -10.264  -2.284   1.983
  729   1HG2  THR  87          1HG2      THR  87 -10.494  -3.526  -1.312
  730   2HG2  THR  87          2HG2      THR  87 -11.543  -3.566   0.105
  731   3HG2  THR  87          3HG2      THR  87  -9.848  -4.028   0.250
  732    H    PHE  88           H        PHE  88  -7.733  -0.788   2.136
  733    HA   PHE  88           HA       PHE  88  -7.118  -3.445   3.290
  734   1HB   PHE  88          2HB       PHE  88  -4.814  -3.175   3.305
  735   2HB   PHE  88          1HB       PHE  88  -5.213  -2.349   1.804
  736    HD1  PHE  88           1HD      PHE  88  -4.644  -1.748   5.451
  737    HD2  PHE  88           2HD      PHE  88  -4.609  -0.087   1.491
  738    HE1  PHE  88           1HE      PHE  88  -3.596   0.315   6.326
  739    HE2  PHE  88           2HE      PHE  88  -3.558   1.981   2.371
  740    HZ   PHE  88           HZ       PHE  88  -3.052   2.178   4.793
  741    H    HIS  89           H        HIS  89  -6.839  -3.373   5.581
  742    HA   HIS  89           HA       HIS  89  -7.921  -0.904   6.889
  743   1HB   HIS  89          2HB       HIS  89  -7.804  -3.847   7.632
  744   2HB   HIS  89          1HB       HIS  89  -8.379  -2.602   8.737
  745    HD1  HIS  89           1HD      HIS  89 -10.691  -4.012   8.539
  746    HD2  HIS  89           2HD      HIS  89  -9.530  -1.917   5.131
  747    HE1  HIS  89           1HE      HIS  89 -12.741  -3.852   7.066
  748    H    VAL  90           H        VAL  90  -6.819  -0.115   8.814
  749    HA   VAL  90           HA       VAL  90  -3.942  -0.913   8.929
  750    HB   VAL  90           HB       VAL  90  -3.686   1.231  10.137
  751   1HG1  VAL  90          1HG1      VAL  90  -5.200   1.201   7.528
  752   2HG1  VAL  90          2HG1      VAL  90  -3.472   1.435   7.795
  753   3HG1  VAL  90          3HG1      VAL  90  -4.612   2.705   8.236
  754   1HG2  VAL  90          1HG2      VAL  90  -6.274   0.924  10.916
  755   2HG2  VAL  90          2HG2      VAL  90  -6.485   2.053   9.578
  756   3HG2  VAL  90          3HG2      VAL  90  -5.436   2.474  10.931
  757    H    ASP  91           H        ASP  91  -2.945  -1.378  10.970
  758    HA   ASP  91           HA       ASP  91  -4.630  -2.896  12.807
  759   1HB   ASP  91          2HB       ASP  91  -2.085  -3.089  11.970
  760   2HB   ASP  91          1HB       ASP  91  -1.805  -2.161  13.443
  761    H    SER  92           H        SER  92  -3.308   0.367  12.747
  762    HA   SER  92           HA       SER  92  -4.660   0.905  15.350
  763   1HB   SER  92          2HB       SER  92  -2.700   1.611  16.383
  764   2HB   SER  92          1HB       SER  92  -2.052   0.349  15.342
  765    HG   SER  92           HG       SER  92  -0.824   1.983  14.734
  766    HA   PRO  93           HA       PRO  93  -5.888   4.659  13.406
  767   1HB   PRO  93          2HB       PRO  93  -5.721   6.472  15.461
  768   2HB   PRO  93          1HB       PRO  93  -7.007   5.252  15.344
  769   1HG   PRO  93          2HG       PRO  93  -4.503   5.210  16.968
  770   2HG   PRO  93          1HG       PRO  93  -6.143   4.713  17.416
  771   1HD   PRO  93          2HD       PRO  93  -4.238   2.928  16.736
  772   2HD   PRO  93          1HD       PRO  93  -5.958   2.669  16.362
  773    H    ASP  94           H        ASP  94  -2.964   4.921  15.439
  774    HA   ASP  94           HA       ASP  94  -1.844   7.258  14.216
  775   1HB   ASP  94          2HB       ASP  94  -0.962   6.553  16.295
  776   2HB   ASP  94          1HB       ASP  94  -0.818   4.877  15.766
  777    H    GLU  95           H        GLU  95  -1.745   3.803  13.358
  778    HA   GLU  95           HA       GLU  95   0.300   3.975  11.333
  779   1HB   GLU  95          2HB       GLU  95  -1.414   2.052  12.517
  780   2HB   GLU  95          1HB       GLU  95  -1.754   2.000  10.790
  781   1HG   GLU  95          2HG       GLU  95   0.071   0.444  11.397
  782   2HG   GLU  95          1HG       GLU  95   0.642   1.710  10.312
  783    H    ARG  96           H        ARG  96  -3.274   4.109  11.162
  784    HA   ARG  96           HA       ARG  96  -3.569   4.460   8.359
  785   1HB   ARG  96          2HB       ARG  96  -5.501   4.009   9.613
  786   2HB   ARG  96          1HB       ARG  96  -5.101   5.205  10.841
  787   1HG   ARG  96          2HG       ARG  96  -5.516   6.304   8.124
  788   2HG   ARG  96          1HG       ARG  96  -6.951   5.604   8.871
  789   1HD   ARG  96          2HD       ARG  96  -5.905   7.040  10.969
  790   2HD   ARG  96          1HD       ARG  96  -5.484   8.067   9.588
  791    HE   ARG  96           HE       ARG  96  -8.232   7.278  10.389
  792   1HH1  ARG  96          1HH2      ARG  96  -6.110   8.887   8.137
  793   2HH1  ARG  96          2HH2      ARG  96  -7.383   9.807   7.421
  794   1HH2  ARG  96          1HH1      ARG  96  -9.876   8.479   9.426
  795   2HH2  ARG  96          2HH1      ARG  96  -9.505   9.569   8.133
  796    H    GLU  97           H        GLU  97  -2.950   6.876  10.921
  797    HA   GLU  97           HA       GLU  97  -3.168   9.197   9.210
  798   1HB   GLU  97          2HB       GLU  97  -2.721   8.551  11.940
  799   2HB   GLU  97          1HB       GLU  97  -1.355   9.545  11.436
  800   1HG   GLU  97          2HG       GLU  97  -3.172  10.970  12.265
  801   2HG   GLU  97          1HG       GLU  97  -2.931  11.237  10.539
  802    H    GLU  98           H        GLU  98  -0.478   7.030  10.049
  803    HA   GLU  98           HA       GLU  98   1.607   8.669   8.867
  804   1HB   GLU  98          2HB       GLU  98   1.265   5.845   9.838
  805   2HB   GLU  98          1HB       GLU  98   2.715   6.274   8.929
  806   1HG   GLU  98          2HG       GLU  98   2.976   8.238  10.545
  807   2HG   GLU  98          1HG       GLU  98   1.747   7.452  11.536
  808    H    TRP  99           H        TRP  99  -0.346   5.901   7.725
  809    HA   TRP  99           HA       TRP  99   0.907   5.528   5.184
  810   1HB   TRP  99          2HB       TRP  99  -1.973   5.176   6.093
  811   2HB   TRP  99          1HB       TRP  99  -1.328   4.526   4.589
  812    HD1  TRP  99           HD       TRP  99  -2.213   3.287   7.738
  813    HE1  TRP  99           1HE      TRP  99  -0.769   1.306   8.518
  814    HE3  TRP  99           3HE      TRP  99   1.758   3.774   4.556
  815    HZ2  TRP  99           2HZ      TRP  99   1.721   0.078   7.878
  816    HZ3  TRP  99           3HZ      TRP  99   3.653   2.175   4.673
  817    HH2  TRP  99           HH       TRP  99   3.633   0.334   6.326
  818    H    MET 100           H        MET 100  -1.861   7.591   6.137
  819    HA   MET 100           HA       MET 100  -2.443   8.686   3.566
  820   1HB   MET 100          2HB       MET 100  -3.702   8.772   5.834
  821   2HB   MET 100          1HB       MET 100  -2.681  10.164   6.194
  822   1HG   MET 100          2HG       MET 100  -3.652  11.480   4.556
  823   2HG   MET 100          1HG       MET 100  -4.097  10.095   3.558
  824   1HE   MET 100          1HE       MET 100  -5.512  12.491   6.585
  825   2HE   MET 100          2HE       MET 100  -6.846  12.585   5.437
  826   3HE   MET 100          3HE       MET 100  -5.190  12.785   4.871
  827    H    ARG 101           H        ARG 101  -0.361   9.975   6.195
  828    HA   ARG 101           HA       ARG 101   0.521  12.318   4.806
  829   1HB   ARG 101          2HB       ARG 101   0.719  11.447   7.302
  830   2HB   ARG 101          1HB       ARG 101   2.262  10.809   6.735
  831   1HG   ARG 101          2HG       ARG 101   2.692  13.010   7.612
  832   2HG   ARG 101          1HG       ARG 101   2.788  13.125   5.854
  833   1HD   ARG 101          2HD       ARG 101   1.387  14.935   6.259
  834   2HD   ARG 101          1HD       ARG 101   0.158  13.662   6.163
  835    HE   ARG 101           HE       ARG 101  -0.016  13.667   8.549
  836   1HH1  ARG 101          1HH2      ARG 101   2.536  15.742   7.402
  837   2HH1  ARG 101          2HH2      ARG 101   2.708  16.563   8.914
  838   1HH2  ARG 101          1HH1      ARG 101   0.226  14.751  10.517
  839   2HH2  ARG 101          2HH1      ARG 101   1.410  16.003  10.670
  840    H    ALA 102           H        ALA 102   1.853   9.013   4.971
  841    HA   ALA 102           HA       ALA 102   4.257   9.492   3.481
  842   1HB   ALA 102          1HB       ALA 102   2.509   7.030   3.797
  843   2HB   ALA 102          2HB       ALA 102   3.826   7.509   4.868
  844   3HB   ALA 102          3HB       ALA 102   4.172   7.013   3.211
  845    H    ILE 103           H        ILE 103   0.978   8.494   2.451
  846    HA   ILE 103           HA       ILE 103   1.542   8.061  -0.318
  847    HB   ILE 103           HB       ILE 103  -0.923   8.959   1.210
  848   1HG1  ILE 103          2HG1      ILE 103  -0.480   6.293  -0.116
  849   2HG1  ILE 103          1HG1      ILE 103   0.238   6.616   1.462
  850   1HG2  ILE 103          1HG2      ILE 103  -1.259   9.687  -1.066
  851   2HG2  ILE 103          2HG2      ILE 103  -2.166   8.190  -0.858
  852   3HG2  ILE 103          3HG2      ILE 103  -0.617   8.173  -1.702
  853   1HD1  ILE 103          1HD1      ILE 103  -2.313   7.531   1.845
  854   2HD1  ILE 103          2HD1      ILE 103  -1.768   5.908   2.268
  855   3HD1  ILE 103          3HD1      ILE 103  -2.592   6.189   0.735
  856    H    GLN 104           H        GLN 104   0.489  11.008   1.418
  857    HA   GLN 104           HA       GLN 104   0.349  12.700  -0.906
  858   1HB   GLN 104          2HB       GLN 104   0.112  12.862   1.991
  859   2HB   GLN 104          1HB       GLN 104   0.944  14.275   1.346
  860   1HG   GLN 104          2HG       GLN 104  -1.770  13.223   0.499
  861   2HG   GLN 104          1HG       GLN 104  -1.436  14.736   1.339
  862   1HE2  GLN 104          1HE2      GLN 104   0.319  16.148   0.009
  863   2HE2  GLN 104          2HE2      GLN 104   0.015  16.254  -1.658
  864    H    MET 105           H        MET 105   2.992  11.974   1.384
  865    HA   MET 105           HA       MET 105   4.841  13.970   0.509
  866   1HB   MET 105          2HB       MET 105   4.936  12.468   2.550
  867   2HB   MET 105          1HB       MET 105   5.440  11.159   1.481
  868   1HG   MET 105          2HG       MET 105   7.452  12.114   2.372
  869   2HG   MET 105          1HG       MET 105   7.330  12.674   0.704
  870   1HE   MET 105          1HE       MET 105   5.616  14.045   4.241
  871   2HE   MET 105          2HE       MET 105   7.117  14.891   4.610
  872   3HE   MET 105          3HE       MET 105   7.148  13.162   4.274
  873    H    VAL 106           H        VAL 106   4.353  10.600  -0.601
  874    HA   VAL 106           HA       VAL 106   6.430  10.666  -2.614
  875    HB   VAL 106           HB       VAL 106   3.955   8.980  -2.124
  876   1HG1  VAL 106          1HG1      VAL 106   5.847   9.007  -4.412
  877   2HG1  VAL 106          2HG1      VAL 106   4.187   8.417  -4.331
  878   3HG1  VAL 106          3HG1      VAL 106   5.508   7.424  -3.715
  879   1HG2  VAL 106          1HG2      VAL 106   6.910   8.722  -1.565
  880   2HG2  VAL 106          2HG2      VAL 106   5.876   7.296  -1.642
  881   3HG2  VAL 106          3HG2      VAL 106   5.558   8.551  -0.444
  882    H    ALA 107           H        ALA 107   2.930  11.344  -2.660
  883    HA   ALA 107           HA       ALA 107   2.578  11.645  -5.476
  884   1HB   ALA 107          1HB       ALA 107   0.564  12.895  -4.776
  885   2HB   ALA 107          2HB       ALA 107   1.225  13.044  -3.147
  886   3HB   ALA 107          3HB       ALA 107   0.785  11.457  -3.779
  887    H    ASN 108           H        ASN 108   3.776  13.919  -3.012
  888    HA   ASN 108           HA       ASN 108   3.630  16.353  -4.464
  889   1HB   ASN 108          2HB       ASN 108   5.198  15.183  -2.229
  890   2HB   ASN 108          1HB       ASN 108   5.914  16.600  -2.997
  891   1HD2  ASN 108          1HD2      ASN 108   2.985  15.457  -1.292
  892   2HD2  ASN 108          2HD2      ASN 108   2.436  17.007  -0.872
  893    H    SER 109           H        SER 109   6.204  13.865  -4.448
  894    HA   SER 109           HA       SER 109   7.723  15.322  -6.533
  895   1HB   SER 109          2HB       SER 109   8.102  12.798  -4.912
  896   2HB   SER 109          1HB       SER 109   9.215  13.251  -6.200
  897    HG   SER 109           HG       SER 109  10.100  14.418  -4.683
  898    H    LEU 110           H        LEU 110   5.377  12.753  -6.309
  899    HA   LEU 110           HA       LEU 110   6.026  11.372  -8.775
  900   1HB   LEU 110          2HB       LEU 110   4.198  11.212  -6.571
  901   2HB   LEU 110          1HB       LEU 110   3.266  11.141  -8.064
  902    HG   LEU 110           HG       LEU 110   4.751   9.332  -8.890
  903   1HD1  LEU 110          1HD1      LEU 110   6.810   9.761  -7.755
  904   2HD1  LEU 110          2HD1      LEU 110   6.216   8.239  -7.092
  905   3HD1  LEU 110          3HD1      LEU 110   6.029   9.734  -6.174
  906   1HD2  LEU 110          1HD2      LEU 110   3.958   7.591  -7.292
  907   2HD2  LEU 110          2HD2      LEU 110   2.686   8.739  -7.712
  908   3HD2  LEU 110          3HD2      LEU 110   3.511   8.866  -6.159
  909    H    LYS 111           H        LYS 111   3.541  13.815  -7.914
  910    HA   LYS 111           HA       LYS 111   3.617  14.973 -10.599
  911   1HB   LYS 111          2HB       LYS 111   1.141  14.336 -10.970
  912   2HB   LYS 111          1HB       LYS 111   2.329  13.053 -11.181
  913   1HG   LYS 111          2HG       LYS 111   1.134  11.845  -9.693
  914   2HG   LYS 111          1HG       LYS 111   1.702  12.961  -8.453
  915   1HD   LYS 111          2HD       LYS 111  -0.489  14.144  -9.930
  916   2HD   LYS 111          1HD       LYS 111  -0.961  12.570  -9.291
  917   1HE   LYS 111          2HE       LYS 111  -1.176  13.479  -7.227
  918   2HE   LYS 111          1HE       LYS 111   0.532  13.955  -7.259
  919   1HZ   LYS 111          1HZ       LYS 111  -0.067  15.900  -8.572
  920   2HZ   LYS 111          2HZ       LYS 111  -0.903  15.900  -7.092
  921   3HZ   LYS 111          3HZ       LYS 111  -1.706  15.456  -8.522
  Start of MODEL   11
    1   1H    MET   1          1H        MET   1  21.500   4.089 -13.036
    2   2H    MET   1          2H        MET   1  20.775   5.063 -11.846
    3   3H    MET   1          3H        MET   1  19.986   4.796 -13.326
    4    HA   MET   1           HA       MET   1  19.571   2.524 -12.820
    5   1HB   MET   1          2HB       MET   1  20.615   1.485 -10.875
    6   2HB   MET   1          1HB       MET   1  21.869   2.272 -11.831
    7   1HG   MET   1          2HG       MET   1  21.766   4.240 -10.318
    8   2HG   MET   1          1HG       MET   1  20.547   3.413  -9.347
    9   1HE   MET   1          1HE       MET   1  24.050   4.232  -9.901
   10   2HE   MET   1          2HE       MET   1  24.107   2.841 -10.982
   11   3HE   MET   1          3HE       MET   1  25.040   2.825  -9.487
   12    H    ASN   2           H        ASN   2  18.308   1.696 -10.692
   13    HA   ASN   2           HA       ASN   2  16.163   3.539 -10.205
   14   1HB   ASN   2          2HB       ASN   2  17.081   0.865  -9.243
   15   2HB   ASN   2          1HB       ASN   2  15.879   1.694  -8.259
   16   1HD2  ASN   2          1HD2      ASN   2  14.327  -0.051  -8.960
   17   2HD2  ASN   2          2HD2      ASN   2  13.595   0.059 -10.488
   18    H    GLU   3           H        GLU   3  15.820   4.988  -8.523
   19    HA   GLU   3           HA       GLU   3  17.701   4.990  -6.204
   20   1HB   GLU   3          2HB       GLU   3  18.327   6.490  -8.267
   21   2HB   GLU   3          1HB       GLU   3  17.031   7.532  -7.678
   22   1HG   GLU   3          2HG       GLU   3  18.113   7.741  -5.511
   23   2HG   GLU   3          1HG       GLU   3  19.353   6.577  -5.978
   24    H    VAL   4           H        VAL   4  15.221   4.086  -5.775
   25    HA   VAL   4           HA       VAL   4  13.669   6.427  -4.706
   26    HB   VAL   4           HB       VAL   4  12.805   3.760  -5.868
   27   1HG1  VAL   4          1HG1      VAL   4  11.041   5.919  -4.675
   28   2HG1  VAL   4          2HG1      VAL   4  11.461   4.423  -3.841
   29   3HG1  VAL   4          3HG1      VAL   4  10.520   4.368  -5.330
   30   1HG2  VAL   4          1HG2      VAL   4  11.773   5.083  -7.585
   31   2HG2  VAL   4          2HG2      VAL   4  13.405   5.722  -7.391
   32   3HG2  VAL   4          3HG2      VAL   4  12.035   6.576  -6.681
   33    H    SER   5           H        SER   5  13.570   6.435  -2.493
   34    HA   SER   5           HA       SER   5  14.327   3.966  -1.003
   35   1HB   SER   5          2HB       SER   5  14.097   6.916  -0.387
   36   2HB   SER   5          1HB       SER   5  14.301   5.729   0.897
   37    HG   SER   5           HG       SER   5  16.305   6.539   0.142
   38    H    VAL   6           H        VAL   6  13.017   3.660   1.117
   39    HA   VAL   6           HA       VAL   6  10.157   3.529   0.420
   40    HB   VAL   6           HB       VAL   6  11.878   2.611   2.741
   41   1HG1  VAL   6          1HG1      VAL   6   9.705   3.153   3.687
   42   2HG1  VAL   6          2HG1      VAL   6   9.818   1.401   3.526
   43   3HG1  VAL   6          3HG1      VAL   6   8.879   2.335   2.361
   44   1HG2  VAL   6          1HG2      VAL   6  12.102   1.309   0.692
   45   2HG2  VAL   6          2HG2      VAL   6  10.348   1.185   0.540
   46   3HG2  VAL   6          3HG2      VAL   6  11.180   0.368   1.864
   47    H    ILE   7           H        ILE   7   8.688   5.056   1.041
   48    HA   ILE   7           HA       ILE   7   9.543   7.337   2.696
   49    HB   ILE   7           HB       ILE   7   6.974   6.551   1.280
   50   1HG1  ILE   7          2HG1      ILE   7   8.703   7.050  -0.304
   51   2HG1  ILE   7          1HG1      ILE   7   7.692   8.488  -0.210
   52   1HG2  ILE   7          1HG2      ILE   7   7.705   9.052   2.813
   53   2HG2  ILE   7          2HG2      ILE   7   6.309   8.001   3.056
   54   3HG2  ILE   7          3HG2      ILE   7   6.411   9.013   1.616
   55   1HD1  ILE   7          1HD1      ILE   7   9.787   9.458  -0.014
   56   2HD1  ILE   7          2HD1      ILE   7  10.476   8.054   0.802
   57   3HD1  ILE   7          3HD1      ILE   7   9.430   9.165   1.688
   58    H    LYS   8           H        LYS   8   7.126   4.711   2.921
   59    HA   LYS   8           HA       LYS   8   7.216   4.940   5.887
   60   1HB   LYS   8          2HB       LYS   8   5.336   6.288   4.448
   61   2HB   LYS   8          1HB       LYS   8   4.513   4.746   4.677
   62   1HG   LYS   8          2HG       LYS   8   3.889   6.000   6.578
   63   2HG   LYS   8          1HG       LYS   8   5.200   4.978   7.165
   64   1HD   LYS   8          2HD       LYS   8   6.232   7.447   6.026
   65   2HD   LYS   8          1HD       LYS   8   5.072   7.776   7.314
   66   1HE   LYS   8          2HE       LYS   8   6.322   6.466   8.900
   67   2HE   LYS   8          1HE       LYS   8   7.362   5.804   7.625
   68   1HZ   LYS   8          1HZ       LYS   8   7.121   8.703   8.244
   69   2HZ   LYS   8          2HZ       LYS   8   8.205   7.978   7.154
   70   3HZ   LYS   8          3HZ       LYS   8   8.370   7.712   8.824
   71    H    GLU   9           H        GLU   9   6.984   2.943   6.852
   72    HA   GLU   9           HA       GLU   9   5.911   0.679   5.217
   73   1HB   GLU   9          2HB       GLU   9   7.834  -0.681   6.030
   74   2HB   GLU   9          1HB       GLU   9   8.359   0.690   5.055
   75   1HG   GLU   9          2HG       GLU   9   8.748   1.974   7.177
   76   2HG   GLU   9          1HG       GLU   9   8.375   0.506   8.081
   77    H    GLY  10           H        GLY  10   4.680  -0.769   6.410
   78   1HA   GLY  10          2HA       GLY  10   4.851  -0.983   9.296
   79   2HA   GLY  10          1HA       GLY  10   3.465  -0.015   8.801
   80    H    TRP  11           H        TRP  11   2.866  -2.292  10.126
   81    HA   TRP  11           HA       TRP  11   2.395  -4.496   8.204
   82   1HB   TRP  11          2HB       TRP  11   1.953  -4.006  11.154
   83   2HB   TRP  11          1HB       TRP  11   1.281  -5.429  10.360
   84    HD1  TRP  11           HD       TRP  11   4.566  -3.855  11.431
   85    HE1  TRP  11           1HE      TRP  11   6.451  -5.597  11.209
   86    HE3  TRP  11           3HE      TRP  11   2.039  -7.590   9.032
   87    HZ2  TRP  11           2HZ      TRP  11   6.837  -8.227  10.160
   88    HZ3  TRP  11           3HZ      TRP  11   3.191  -9.702   8.435
   89    HH2  TRP  11           HH       TRP  11   5.586 -10.022   8.998
   90    H    LEU  12           H        LEU  12   0.507  -4.663   7.055
   91    HA   LEU  12           HA       LEU  12  -1.879  -3.107   8.015
   92   1HB   LEU  12          2HB       LEU  12  -0.912  -3.608   5.177
   93   2HB   LEU  12          1HB       LEU  12  -2.330  -2.662   5.625
   94    HG   LEU  12           HG       LEU  12   0.527  -2.025   6.432
   95   1HD1  LEU  12          1HD1      LEU  12   0.691  -0.776   4.563
   96   2HD1  LEU  12          2HD1      LEU  12  -0.889  -0.048   4.836
   97   3HD1  LEU  12          3HD1      LEU  12  -0.763  -1.587   3.986
   98   1HD2  LEU  12          1HD2      LEU  12  -1.833  -1.331   7.712
   99   2HD2  LEU  12          2HD2      LEU  12  -1.531   0.053   6.664
  100   3HD2  LEU  12          3HD2      LEU  12  -0.311  -0.451   7.831
  101    H    HIS  13           H        HIS  13  -3.967  -4.048   7.360
  102    HA   HIS  13           HA       HIS  13  -3.843  -7.022   7.250
  103   1HB   HIS  13          2HB       HIS  13  -5.692  -4.918   8.253
  104   2HB   HIS  13          1HB       HIS  13  -6.443  -6.405   7.672
  105    HD1  HIS  13           1HD      HIS  13  -6.438  -8.342   9.268
  106    HD2  HIS  13           2HD      HIS  13  -3.576  -5.486  10.285
  107    HE1  HIS  13           1HE      HIS  13  -5.412  -9.102  11.454
  108    H    LYS  14           H        LYS  14  -4.345  -8.087   5.412
  109    HA   LYS  14           HA       LYS  14  -5.784  -6.618   3.222
  110   1HB   LYS  14          2HB       LYS  14  -3.250  -8.012   3.386
  111   2HB   LYS  14          1HB       LYS  14  -4.291  -8.804   2.203
  112   1HG   LYS  14          2HG       LYS  14  -4.217  -5.830   2.127
  113   2HG   LYS  14          1HG       LYS  14  -2.765  -6.672   1.586
  114   1HD   LYS  14          2HD       LYS  14  -5.063  -8.007   0.494
  115   2HD   LYS  14          1HD       LYS  14  -5.187  -6.282   0.144
  116   1HE   LYS  14          2HE       LYS  14  -3.891  -7.047  -1.664
  117   2HE   LYS  14          1HE       LYS  14  -2.635  -6.539  -0.519
  118   1HZ   LYS  14          1HZ       LYS  14  -3.765  -9.284  -0.705
  119   2HZ   LYS  14          2HZ       LYS  14  -2.524  -8.780   0.343
  120   3HZ   LYS  14          3HZ       LYS  14  -2.261  -8.813  -1.335
  121    H    ARG  15           H        ARG  15  -7.656  -7.603   2.507
  122    HA   ARG  15           HA       ARG  15  -8.714  -9.925   3.870
  123   1HB   ARG  15          2HB       ARG  15  -9.996  -7.991   2.885
  124   2HB   ARG  15          1HB       ARG  15  -9.622  -8.631   1.284
  125   1HG   ARG  15          2HG       ARG  15 -11.211 -10.226   1.444
  126   2HG   ARG  15          1HG       ARG  15 -10.681 -10.690   3.061
  127   1HD   ARG  15          2HD       ARG  15 -12.241  -9.371   4.092
  128   2HD   ARG  15          1HD       ARG  15 -12.087  -8.079   2.888
  129    HE   ARG  15           HE       ARG  15 -13.764 -10.511   2.611
  130   1HH1  ARG  15          1HH2      ARG  15 -12.475  -7.579   1.233
  131   2HH1  ARG  15          2HH2      ARG  15 -13.642  -7.530  -0.040
  132   1HH2  ARG  15          1HH1      ARG  15 -15.261 -10.441   0.936
  133   2HH2  ARG  15          2HH1      ARG  15 -15.214  -9.143  -0.210
  134    H    GLY  16           H        GLY  16  -9.007 -12.044   3.061
  135   1HA   GLY  16          2HA       GLY  16  -7.364 -12.731   0.655
  136   2HA   GLY  16          1HA       GLY  16  -7.566 -13.806   2.039
  137    H    GLU  17           H        GLU  17  -8.411 -13.759  -1.006
  138    HA   GLU  17           HA       GLU  17 -10.185 -14.635  -2.280
  139   1HB   GLU  17          2HB       GLU  17  -9.669 -16.204  -0.061
  140   2HB   GLU  17          1HB       GLU  17 -11.412 -15.961   0.047
  141   1HG   GLU  17          2HG       GLU  17 -11.643 -16.699  -2.313
  142   2HG   GLU  17          1HG       GLU  17  -9.905 -16.997  -2.374
  143    H    TYR  18           H        TYR  18 -12.854 -15.284  -1.232
  144    HA   TYR  18           HA       TYR  18 -13.966 -12.538  -1.190
  145   1HB   TYR  18          2HB       TYR  18 -16.032 -13.663  -1.787
  146   2HB   TYR  18          1HB       TYR  18 -14.733 -14.344  -2.761
  147    HD1  TYR  18           1HD      TYR  18 -14.108 -16.652  -2.568
  148    HD2  TYR  18           2HD      TYR  18 -16.874 -14.918   0.223
  149    HE1  TYR  18           1HE      TYR  18 -14.663 -18.912  -1.710
  150    HE2  TYR  18           2HE      TYR  18 -17.425 -17.177   1.082
  151    HH   TYR  18           HH       TYR  18 -17.175 -19.756  -0.241
  152    H    ILE  19           H        ILE  19 -13.207 -14.999   1.096
  153    HA   ILE  19           HA       ILE  19 -15.344 -14.758   2.973
  154    HB   ILE  19           HB       ILE  19 -13.404 -16.425   2.853
  155   1HG1  ILE  19          2HG1      ILE  19 -13.163 -16.414   5.454
  156   2HG1  ILE  19          1HG1      ILE  19 -14.309 -15.075   5.391
  157   1HG2  ILE  19          1HG2      ILE  19 -11.828 -14.192   2.994
  158   2HG2  ILE  19          2HG2      ILE  19 -11.279 -15.820   3.388
  159   3HG2  ILE  19          3HG2      ILE  19 -11.808 -14.733   4.672
  160   1HD1  ILE  19          1HD1      ILE  19 -16.039 -16.455   4.933
  161   2HD1  ILE  19          2HD1      ILE  19 -14.964 -17.778   5.385
  162   3HD1  ILE  19          3HD1      ILE  19 -15.123 -17.312   3.692
  163    H    LYS  20           H        LYS  20 -15.431 -13.469   4.954
  164    HA   LYS  20           HA       LYS  20 -14.393 -10.730   4.577
  165   1HB   LYS  20          2HB       LYS  20 -16.226 -12.041   6.612
  166   2HB   LYS  20          1HB       LYS  20 -15.904 -10.308   6.535
  167   1HG   LYS  20          2HG       LYS  20 -16.951 -10.095   4.413
  168   2HG   LYS  20          1HG       LYS  20 -16.934 -11.838   4.140
  169   1HD   LYS  20          2HD       LYS  20 -18.448 -10.619   6.450
  170   2HD   LYS  20          1HD       LYS  20 -19.178 -10.784   4.853
  171   1HE   LYS  20          2HE       LYS  20 -18.912 -13.189   4.894
  172   2HE   LYS  20          1HE       LYS  20 -17.941 -13.105   6.377
  173   1HZ   LYS  20          1HZ       LYS  20 -20.287 -13.608   6.842
  174   2HZ   LYS  20          2HZ       LYS  20 -20.742 -12.139   6.120
  175   3HZ   LYS  20          3HZ       LYS  20 -19.805 -12.138   7.538
  176    H    THR  21           H        THR  21 -12.147 -12.125   4.993
  177    HA   THR  21           HA       THR  21 -11.462 -11.635   7.875
  178    HB   THR  21           HB       THR  21 -10.231 -13.796   6.162
  179    HG1  THR  21           1HG      THR  21 -11.800 -15.179   6.827
  180   1HG2  THR  21          1HG2      THR  21 -10.575 -13.398   9.145
  181   2HG2  THR  21          2HG2      THR  21  -9.075 -13.236   8.233
  182   3HG2  THR  21          3HG2      THR  21  -9.838 -14.816   8.399
  183    H    TRP  22           H        TRP  22  -9.553 -10.492   8.181
  184    HA   TRP  22           HA       TRP  22  -7.976  -9.777   5.725
  185   1HB   TRP  22          2HB       TRP  22  -8.542  -8.219   8.274
  186   2HB   TRP  22          1HB       TRP  22  -7.552  -7.638   6.936
  187    HD1  TRP  22           HD       TRP  22 -11.170  -8.736   7.680
  188    HE1  TRP  22           1HE      TRP  22 -12.741  -7.546   6.024
  189    HE3  TRP  22           3HE      TRP  22  -7.731  -6.357   4.740
  190    HZ2  TRP  22           2HZ      TRP  22 -12.575  -5.816   3.763
  191    HZ3  TRP  22           3HZ      TRP  22  -8.469  -4.945   2.842
  192    HH2  TRP  22           HH       TRP  22 -10.885  -4.671   2.351
  193    H    ARG  23           H        ARG  23  -5.813 -10.293   5.788
  194    HA   ARG  23           HA       ARG  23  -4.693 -11.301   8.375
  195   1HB   ARG  23          2HB       ARG  23  -3.279 -12.683   6.996
  196   2HB   ARG  23          1HB       ARG  23  -4.911 -12.799   6.343
  197   1HG   ARG  23          2HG       ARG  23  -4.179 -10.838   4.787
  198   2HG   ARG  23          1HG       ARG  23  -2.539 -11.306   5.234
  199   1HD   ARG  23          2HD       ARG  23  -2.632 -13.264   4.037
  200   2HD   ARG  23          1HD       ARG  23  -4.342 -13.532   4.428
  201    HE   ARG  23           HE       ARG  23  -3.929 -11.205   2.719
  202   1HH1  ARG  23          1HH2      ARG  23  -4.354 -14.661   2.825
  203   2HH1  ARG  23          2HH2      ARG  23  -4.938 -14.755   1.200
  204   1HH2  ARG  23          1HH1      ARG  23  -4.694 -11.344   0.608
  205   2HH2  ARG  23          2HH1      ARG  23  -5.124 -12.884  -0.055
  206    HA   PRO  24           HA       PRO  24  -2.004  -7.804   8.430
  207   1HB   PRO  24          2HB       PRO  24  -0.128  -8.759  10.180
  208   2HB   PRO  24          1HB       PRO  24  -1.739  -8.209  10.684
  209   1HG   PRO  24          2HG       PRO  24  -0.727 -10.976  10.268
  210   2HG   PRO  24          1HG       PRO  24  -1.823 -10.347  11.509
  211   1HD   PRO  24          2HD       PRO  24  -2.661 -11.741   9.318
  212   2HD   PRO  24          1HD       PRO  24  -3.663 -10.544  10.167
  213    H    ARG  25           H        ARG  25  -0.373  -7.173   7.097
  214    HA   ARG  25           HA       ARG  25   1.744  -9.117   6.268
  215   1HB   ARG  25          2HB       ARG  25  -0.445  -7.916   4.708
  216   2HB   ARG  25          1HB       ARG  25   1.141  -7.657   3.984
  217   1HG   ARG  25          2HG       ARG  25   1.258 -10.310   4.752
  218   2HG   ARG  25          1HG       ARG  25  -0.417 -10.132   4.226
  219   1HD   ARG  25          2HD       ARG  25   0.955  -8.747   2.263
  220   2HD   ARG  25          1HD       ARG  25   2.047 -10.096   2.621
  221    HE   ARG  25           HE       ARG  25  -0.722 -10.961   2.430
  222   1HH1  ARG  25          1HH2      ARG  25   2.158 -10.164   0.644
  223   2HH1  ARG  25          2HH2      ARG  25   1.715 -11.123  -0.727
  224   1HH2  ARG  25          1HH1      ARG  25  -1.284 -12.210   0.637
  225   2HH2  ARG  25          2HH1      ARG  25  -0.220 -12.285  -0.727
  226    H    TYR  26           H        TYR  26   3.766  -8.074   5.907
  227    HA   TYR  26           HA       TYR  26   4.091  -5.398   7.013
  228   1HB   TYR  26          2HB       TYR  26   5.665  -7.491   6.977
  229   2HB   TYR  26          1HB       TYR  26   6.119  -6.924   5.372
  230    HD1  TYR  26           1HD      TYR  26   8.325  -6.136   5.662
  231    HD2  TYR  26           2HD      TYR  26   5.255  -4.889   8.397
  232    HE1  TYR  26           1HE      TYR  26   9.897  -4.520   6.693
  233    HE2  TYR  26           2HE      TYR  26   6.828  -3.271   9.422
  234    HH   TYR  26           HH       TYR  26   9.510  -2.187   8.067
  235    H    PHE  27           H        PHE  27   3.147  -3.793   5.748
  236    HA   PHE  27           HA       PHE  27   3.585  -3.821   2.800
  237   1HB   PHE  27          2HB       PHE  27   1.658  -2.690   4.749
  238   2HB   PHE  27          1HB       PHE  27   1.992  -1.682   3.342
  239    HD1  PHE  27           1HD      PHE  27   0.760  -2.046   1.405
  240    HD2  PHE  27           2HD      PHE  27   1.271  -5.271   4.196
  241    HE1  PHE  27           1HE      PHE  27  -0.727  -3.474   0.028
  242    HE2  PHE  27           2HE      PHE  27  -0.215  -6.699   2.816
  243    HZ   PHE  27           HZ       PHE  27  -1.212  -5.800   0.734
  244    H    LEU  28           H        LEU  28   4.738  -2.194   1.749
  245    HA   LEU  28           HA       LEU  28   5.949  -0.017   3.417
  246   1HB   LEU  28          2HB       LEU  28   7.303  -2.042   1.612
  247   2HB   LEU  28          1HB       LEU  28   8.101  -0.567   2.153
  248    HG   LEU  28           HG       LEU  28   7.179  -1.490   4.530
  249   1HD1  LEU  28          1HD1      LEU  28   6.809  -3.668   2.741
  250   2HD1  LEU  28          2HD1      LEU  28   6.633  -3.671   4.495
  251   3HD1  LEU  28          3HD1      LEU  28   8.186  -4.074   3.766
  252   1HD2  LEU  28          1HD2      LEU  28   9.744  -2.254   3.098
  253   2HD2  LEU  28          2HD2      LEU  28   9.487  -2.443   4.832
  254   3HD2  LEU  28          3HD2      LEU  28   9.484  -0.834   4.111
  255    H    LEU  29           H        LEU  29   5.631   1.931   2.393
  256    HA   LEU  29           HA       LEU  29   4.955   1.927  -0.519
  257   1HB   LEU  29          2HB       LEU  29   3.767   3.104   1.639
  258   2HB   LEU  29          1HB       LEU  29   4.817   4.413   1.099
  259    HG   LEU  29           HG       LEU  29   2.803   2.928  -0.618
  260   1HD1  LEU  29          1HD1      LEU  29   2.073   4.706   1.155
  261   2HD1  LEU  29          2HD1      LEU  29   1.445   4.832  -0.488
  262   3HD1  LEU  29          3HD1      LEU  29   2.778   5.865   0.028
  263   1HD2  LEU  29          1HD2      LEU  29   4.835   5.081  -1.233
  264   2HD2  LEU  29          2HD2      LEU  29   3.413   4.827  -2.243
  265   3HD2  LEU  29          3HD2      LEU  29   4.602   3.538  -2.055
  266    H    LYS  30           H        LYS  30   6.531   2.522  -1.940
  267    HA   LYS  30           HA       LYS  30   9.062   3.681  -0.958
  268   1HB   LYS  30          2HB       LYS  30   7.985   2.477  -3.490
  269   2HB   LYS  30          1HB       LYS  30   9.468   3.428  -3.561
  270   1HG   LYS  30          2HG       LYS  30   9.635   1.668  -1.305
  271   2HG   LYS  30          1HG       LYS  30   9.161   0.722  -2.717
  272   1HD   LYS  30          2HD       LYS  30  11.047   1.778  -3.990
  273   2HD   LYS  30          1HD       LYS  30  11.563   2.559  -2.494
  274   1HE   LYS  30          2HE       LYS  30  11.822   0.329  -1.425
  275   2HE   LYS  30          1HE       LYS  30  11.352  -0.442  -2.953
  276   1HZ   LYS  30          1HZ       LYS  30  13.506   1.583  -2.887
  277   2HZ   LYS  30          2HZ       LYS  30  13.219   0.366  -4.041
  278   3HZ   LYS  30          3HZ       LYS  30  13.843  -0.037  -2.514
  279    H    SER  31           H        SER  31  10.025   5.555  -2.175
  280    HA   SER  31           HA       SER  31   8.213   7.824  -2.227
  281   1HB   SER  31          2HB       SER  31  10.828   7.480  -1.763
  282   2HB   SER  31          1HB       SER  31  10.929   7.894  -3.472
  283    HG   SER  31           HG       SER  31   9.757   9.787  -3.006
  284    H    ASP  32           H        ASP  32   8.676   5.425  -4.542
  285    HA   ASP  32           HA       ASP  32   8.523   7.196  -6.909
  286   1HB   ASP  32          2HB       ASP  32   9.945   5.269  -7.036
  287   2HB   ASP  32          1HB       ASP  32   8.690   4.217  -6.391
  288    H    GLY  33           H        GLY  33   6.325   5.778  -4.706
  289   1HA   GLY  33          2HA       GLY  33   3.942   6.133  -4.819
  290   2HA   GLY  33          1HA       GLY  33   4.077   6.300  -6.572
  291    H    SER  34           H        SER  34   5.418   3.739  -4.499
  292    HA   SER  34           HA       SER  34   3.568   1.782  -5.807
  293   1HB   SER  34          2HB       SER  34   5.810   0.351  -5.800
  294   2HB   SER  34          1HB       SER  34   5.471   1.481  -7.106
  295    HG   SER  34           HG       SER  34   7.063   2.698  -6.446
  296    H    PHE  35           H        PHE  35   2.543   0.671  -4.210
  297    HA   PHE  35           HA       PHE  35   3.736   0.517  -1.488
  298   1HB   PHE  35          2HB       PHE  35   1.188   0.950  -2.552
  299   2HB   PHE  35          1HB       PHE  35   1.113  -0.704  -1.951
  300    HD1  PHE  35           1HD      PHE  35   0.093   2.299  -0.986
  301    HD2  PHE  35           2HD      PHE  35   2.879  -0.672   0.381
  302    HE1  PHE  35           1HE      PHE  35  -0.138   3.151   1.330
  303    HE2  PHE  35           2HE      PHE  35   2.650   0.183   2.697
  304    HZ   PHE  35           HZ       PHE  35   1.141   2.094   3.172
  305    H    ILE  36           H        ILE  36   4.851  -1.325  -0.938
  306    HA   ILE  36           HA       ILE  36   4.331  -3.824  -2.510
  307    HB   ILE  36           HB       ILE  36   6.668  -2.620  -1.038
  308   1HG1  ILE  36          2HG1      ILE  36   7.757  -3.534  -3.215
  309   2HG1  ILE  36          1HG1      ILE  36   6.102  -3.744  -3.781
  310   1HG2  ILE  36          1HG2      ILE  36   7.841  -4.846  -1.396
  311   2HG2  ILE  36          2HG2      ILE  36   6.248  -5.554  -1.669
  312   3HG2  ILE  36          3HG2      ILE  36   6.638  -4.833  -0.106
  313   1HD1  ILE  36          1HD1      ILE  36   5.748  -1.499  -3.990
  314   2HD1  ILE  36          2HD1      ILE  36   7.507  -1.442  -4.097
  315   3HD1  ILE  36          3HD1      ILE  36   6.707  -1.112  -2.561
  316    H    GLY  37           H        GLY  37   3.232  -5.425  -1.476
  317   1HA   GLY  37          2HA       GLY  37   2.970  -5.297   1.496
  318   2HA   GLY  37          1HA       GLY  37   1.833  -6.105   0.417
  319    H    TYR  38           H        TYR  38   4.351  -6.639   2.541
  320    HA   TYR  38           HA       TYR  38   5.290  -9.139   1.192
  321   1HB   TYR  38          2HB       TYR  38   6.327  -7.147   3.093
  322   2HB   TYR  38          1HB       TYR  38   6.661  -8.805   3.585
  323    HD1  TYR  38           1HD      TYR  38   8.585  -9.821   2.757
  324    HD2  TYR  38           2HD      TYR  38   6.731  -6.679   0.491
  325    HE1  TYR  38           1HE      TYR  38  10.423  -9.931   1.095
  326    HE2  TYR  38           2HE      TYR  38   8.567  -6.789  -1.170
  327    HH   TYR  38           HH       TYR  38  10.807  -9.345  -1.271
  328    H    LYS  39           H        LYS  39   4.827 -11.164   2.095
  329    HA   LYS  39           HA       LYS  39   2.573 -11.587   3.764
  330   1HB   LYS  39          2HB       LYS  39   4.959 -13.133   2.835
  331   2HB   LYS  39          1HB       LYS  39   4.030 -13.822   4.167
  332   1HG   LYS  39          2HG       LYS  39   1.996 -13.132   2.535
  333   2HG   LYS  39          1HG       LYS  39   3.249 -13.414   1.326
  334   1HD   LYS  39          2HD       LYS  39   2.147 -15.519   1.657
  335   2HD   LYS  39          1HD       LYS  39   3.704 -15.636   2.478
  336   1HE   LYS  39          2HE       LYS  39   2.183 -16.488   4.086
  337   2HE   LYS  39          1HE       LYS  39   2.373 -14.795   4.583
  338   1HZ   LYS  39          1HZ       LYS  39   0.460 -14.300   3.041
  339   2HZ   LYS  39          2HZ       LYS  39   0.059 -15.174   4.440
  340   3HZ   LYS  39          3HZ       LYS  39   0.194 -15.974   2.948
  341    H    GLU  40           H        GLU  40   6.042 -11.556   4.598
  342    HA   GLU  40           HA       GLU  40   5.348 -10.788   7.393
  343   1HB   GLU  40          2HB       GLU  40   5.974 -13.382   6.608
  344   2HB   GLU  40          1HB       GLU  40   7.522 -12.753   7.173
  345   1HG   GLU  40          2HG       GLU  40   6.673 -12.282   9.334
  346   2HG   GLU  40          1HG       GLU  40   4.999 -12.400   8.793
  347    H    ARG  41           H        ARG  41   7.798 -10.587   8.496
  348    HA   ARG  41           HA       ARG  41   9.052  -8.399   7.033
  349   1HB   ARG  41          2HB       ARG  41   9.069  -9.590   9.690
  350   2HB   ARG  41          1HB       ARG  41  10.709  -9.203   9.162
  351   1HG   ARG  41          2HG       ARG  41   9.962  -6.914   8.564
  352   2HG   ARG  41          1HG       ARG  41   8.347  -7.300   9.154
  353   1HD   ARG  41          2HD       ARG  41   9.034  -7.365  11.394
  354   2HD   ARG  41          1HD       ARG  41  10.734  -7.655  10.968
  355    HE   ARG  41           HE       ARG  41  10.392  -5.253   9.809
  356   1HH1  ARG  41          1HH2      ARG  41   9.331  -6.394  12.924
  357   2HH1  ARG  41          2HH2      ARG  41   9.318  -4.813  13.625
  358   1HH2  ARG  41          1HH1      ARG  41  10.368  -3.203  10.734
  359   2HH2  ARG  41          2HH1      ARG  41   9.908  -3.014  12.394
  360    HA   PRO  42           HA       PRO  42  12.635 -11.443   6.417
  361   1HB   PRO  42          2HB       PRO  42  12.496 -13.974   7.437
  362   2HB   PRO  42          1HB       PRO  42  13.091 -12.591   8.376
  363   1HG   PRO  42          2HG       PRO  42  10.497 -13.997   8.523
  364   2HG   PRO  42          1HG       PRO  42  11.406 -13.161   9.789
  365   1HD   PRO  42          2HD       PRO  42   9.179 -12.165   8.429
  366   2HD   PRO  42          1HD       PRO  42  10.310 -11.222   9.421
  367    H    GLU  43           H        GLU  43  12.654 -12.201   4.315
  368    HA   GLU  43           HA       GLU  43  10.606 -14.235   3.500
  369   1HB   GLU  43          2HB       GLU  43  11.035 -11.461   2.630
  370   2HB   GLU  43          1HB       GLU  43  10.951 -12.608   1.293
  371   1HG   GLU  43          2HG       GLU  43   8.897 -12.358   3.512
  372   2HG   GLU  43          1HG       GLU  43   8.708 -11.727   1.877
  373    H    ALA  44           H        ALA  44  13.594 -14.309   4.094
  374    HA   ALA  44           HA       ALA  44  14.386 -15.928   1.791
  375   1HB   ALA  44          1HB       ALA  44  15.242 -14.160   0.653
  376   2HB   ALA  44          2HB       ALA  44  16.495 -14.103   1.894
  377   3HB   ALA  44          3HB       ALA  44  15.060 -13.090   2.043
  378    HA   PRO  45           HA       PRO  45  17.000 -17.684   4.886
  379   1HB   PRO  45          2HB       PRO  45  19.053 -18.669   3.365
  380   2HB   PRO  45          1HB       PRO  45  17.436 -19.401   3.399
  381   1HG   PRO  45          2HG       PRO  45  18.667 -17.626   1.359
  382   2HG   PRO  45          1HG       PRO  45  17.567 -18.996   1.150
  383   1HD   PRO  45          2HD       PRO  45  16.791 -16.367   1.019
  384   2HD   PRO  45          1HD       PRO  45  15.705 -17.708   1.438
  385    H    ASP  46           H        ASP  46  18.720 -15.690   2.461
  386    HA   ASP  46           HA       ASP  46  20.484 -14.656   4.659
  387   1HB   ASP  46          2HB       ASP  46  21.001 -15.297   1.740
  388   2HB   ASP  46          1HB       ASP  46  22.115 -14.329   2.704
  389    H    GLN  47           H        GLN  47  19.750 -13.670   1.283
  390    HA   GLN  47           HA       GLN  47  18.381 -11.228   2.179
  391   1HB   GLN  47          2HB       GLN  47  21.145 -11.233   2.105
  392   2HB   GLN  47          1HB       GLN  47  20.725 -10.567   0.526
  393   1HG   GLN  47          2HG       GLN  47  19.257  -9.545   2.924
  394   2HG   GLN  47          1HG       GLN  47  20.913  -8.995   2.662
  395   1HE2  GLN  47          1HE2      GLN  47  17.649  -8.486   1.719
  396   2HE2  GLN  47          2HE2      GLN  47  17.953  -7.471   0.394
  397    H    THR  48           H        THR  48  17.637 -13.411   0.463
  398    HA   THR  48           HA       THR  48  17.473 -12.038  -2.197
  399    HB   THR  48           HB       THR  48  18.878 -14.107  -2.051
  400    HG1  THR  48           1HG      THR  48  18.225 -14.215  -4.025
  401   1HG2  THR  48          1HG2      THR  48  16.587 -15.047  -0.588
  402   2HG2  THR  48          2HG2      THR  48  18.152 -15.828  -0.807
  403   3HG2  THR  48          3HG2      THR  48  16.862 -16.093  -1.981
  404    H    LEU  49           H        LEU  49  15.604 -11.265  -0.457
  405    HA   LEU  49           HA       LEU  49  13.220 -13.018  -0.660
  406   1HB   LEU  49          2HB       LEU  49  12.216 -11.171   0.770
  407   2HB   LEU  49          1HB       LEU  49  13.598 -11.997   1.479
  408    HG   LEU  49           HG       LEU  49  14.419  -9.704  -0.137
  409   1HD1  LEU  49          1HD1      LEU  49  13.570  -8.046   1.613
  410   2HD1  LEU  49          2HD1      LEU  49  12.452  -9.308   2.131
  411   3HD1  LEU  49          3HD1      LEU  49  12.357  -8.664   0.492
  412   1HD2  LEU  49          1HD2      LEU  49  14.741 -10.499   2.777
  413   2HD2  LEU  49          2HD2      LEU  49  15.600  -9.168   2.004
  414   3HD2  LEU  49          3HD2      LEU  49  15.881 -10.825   1.473
  415    HA   PRO  50           HA       PRO  50  12.105 -10.646  -4.306
  416   1HB   PRO  50          2HB       PRO  50  10.149 -12.357  -5.144
  417   2HB   PRO  50          1HB       PRO  50  11.876 -12.662  -5.414
  418   1HG   PRO  50          2HG       PRO  50  10.033 -13.863  -3.433
  419   2HG   PRO  50          1HG       PRO  50  11.425 -14.574  -4.261
  420   1HD   PRO  50          2HD       PRO  50  11.407 -13.650  -1.643
  421   2HD   PRO  50          1HD       PRO  50  12.856 -13.932  -2.628
  422    HA   PRO  51           HA       PRO  51   8.508  -8.563  -2.808
  423   1HB   PRO  51          2HB       PRO  51   7.358  -7.691  -5.133
  424   2HB   PRO  51          1HB       PRO  51   8.845  -6.987  -4.469
  425   1HG   PRO  51          2HG       PRO  51   8.499  -8.931  -6.690
  426   2HG   PRO  51          1HG       PRO  51   9.656  -7.602  -6.520
  427   1HD   PRO  51          2HD       PRO  51  10.271 -10.240  -6.100
  428   2HD   PRO  51          1HD       PRO  51  11.147  -8.881  -5.363
  429    H    LEU  52           H        LEU  52   6.532  -9.331  -2.118
  430    HA   LEU  52           HA       LEU  52   5.330 -11.651  -3.534
  431   1HB   LEU  52          2HB       LEU  52   5.388 -10.486  -0.816
  432   2HB   LEU  52          1HB       LEU  52   3.836 -11.184  -1.279
  433    HG   LEU  52           HG       LEU  52   6.277 -12.766  -1.932
  434   1HD1  LEU  52          1HD1      LEU  52   6.416 -13.693   0.322
  435   2HD1  LEU  52          2HD1      LEU  52   5.132 -12.616   0.870
  436   3HD1  LEU  52          3HD1      LEU  52   6.692 -11.953   0.384
  437   1HD2  LEU  52          1HD2      LEU  52   4.749 -14.618  -1.325
  438   2HD2  LEU  52          2HD2      LEU  52   4.015 -13.550  -2.520
  439   3HD2  LEU  52          3HD2      LEU  52   3.530 -13.443  -0.828
  440    H    ASN  53           H        ASN  53   4.101  -8.585  -2.090
  441    HA   ASN  53           HA       ASN  53   1.951  -8.591  -4.191
  442   1HB   ASN  53          2HB       ASN  53   1.825  -8.570  -1.390
  443   2HB   ASN  53          1HB       ASN  53   1.522  -6.895  -1.848
  444   1HD2  ASN  53          1HD2      ASN  53   0.040  -7.050  -4.161
  445   2HD2  ASN  53          2HD2      ASN  53  -1.379  -7.948  -3.915
  446    H    ASN  54           H        ASN  54   2.032  -6.878  -5.614
  447    HA   ASN  54           HA       ASN  54   3.701  -4.500  -4.842
  448   1HB   ASN  54          2HB       ASN  54   4.311  -6.320  -6.718
  449   2HB   ASN  54          1HB       ASN  54   3.265  -5.286  -7.693
  450   1HD2  ASN  54          1HD2      ASN  54   6.099  -5.062  -5.469
  451   2HD2  ASN  54          2HD2      ASN  54   6.795  -3.731  -6.258
  452    H    PHE  55           H        PHE  55   2.658  -2.555  -4.934
  453    HA   PHE  55           HA       PHE  55   0.055  -2.388  -6.430
  454   1HB   PHE  55          2HB       PHE  55   0.930  -1.242  -3.758
  455   2HB   PHE  55          1HB       PHE  55  -0.566  -0.781  -4.567
  456    HD1  PHE  55           1HD      PHE  55  -2.203  -2.679  -5.220
  457    HD2  PHE  55           2HD      PHE  55   1.001  -3.169  -2.399
  458    HE1  PHE  55           1HE      PHE  55  -3.322  -4.690  -4.294
  459    HE2  PHE  55           2HE      PHE  55  -0.118  -5.178  -1.477
  460    HZ   PHE  55           HZ       PHE  55  -2.279  -5.937  -2.426
  461    H    SER  56           H        SER  56   0.058  -0.778  -7.971
  462    HA   SER  56           HA       SER  56   2.250   1.259  -7.881
  463   1HB   SER  56          2HB       SER  56   0.474   0.083 -10.029
  464   2HB   SER  56          1HB       SER  56   1.397   1.555 -10.317
  465    HG   SER  56           HG       SER  56   2.367  -1.009  -9.577
  466    H    VAL  57           H        VAL  57   1.683   3.275  -7.198
  467    HA   VAL  57           HA       VAL  57  -1.104   4.243  -7.712
  468    HB   VAL  57           HB       VAL  57  -0.994   3.367  -5.437
  469   1HG1  VAL  57          1HG1      VAL  57   1.372   3.391  -5.006
  470   2HG1  VAL  57          2HG1      VAL  57   0.615   4.429  -3.799
  471   3HG1  VAL  57          3HG1      VAL  57   1.446   5.144  -5.178
  472   1HG2  VAL  57          1HG2      VAL  57  -0.730   6.337  -5.043
  473   2HG2  VAL  57          2HG2      VAL  57  -1.888   5.218  -4.326
  474   3HG2  VAL  57          3HG2      VAL  57  -2.055   5.697  -6.015
  475    H    ALA  58           H        ALA  58   0.534   5.177  -9.477
  476    HA   ALA  58           HA       ALA  58   2.160   7.457  -8.576
  477   1HB   ALA  58          1HB       ALA  58   2.892   6.147 -10.469
  478   2HB   ALA  58          2HB       ALA  58   2.391   7.716 -11.102
  479   3HB   ALA  58          3HB       ALA  58   1.327   6.319 -11.264
  480    H    GLU  59           H        GLU  59  -0.781   7.061 -10.600
  481    HA   GLU  59           HA       GLU  59  -1.616   9.822  -9.769
  482   1HB   GLU  59          2HB       GLU  59  -0.738   9.105 -12.243
  483   2HB   GLU  59          1HB       GLU  59  -2.457   8.749 -12.415
  484   1HG   GLU  59          2HG       GLU  59  -2.290  11.242 -11.078
  485   2HG   GLU  59          1HG       GLU  59  -1.137  11.315 -12.411
  486    H    CYS  60           H        CYS  60  -2.601   8.019  -8.135
  487    HA   CYS  60           HA       CYS  60  -5.305   7.258  -9.201
  488   1HB   CYS  60          2HB       CYS  60  -3.350   5.557  -8.448
  489   2HB   CYS  60          1HB       CYS  60  -4.092   5.839  -6.874
  490    H    GLN  61           H        GLN  61  -7.030   7.286  -7.540
  491    HA   GLN  61           HA       GLN  61  -6.686   9.556  -5.654
  492   1HB   GLN  61          2HB       GLN  61  -8.550   9.535  -7.239
  493   2HB   GLN  61          1HB       GLN  61  -9.070   7.959  -6.644
  494   1HG   GLN  61          2HG       GLN  61  -8.809   9.826  -4.445
  495   2HG   GLN  61          1HG       GLN  61  -9.878  10.482  -5.684
  496   1HE2  GLN  61          1HE2      GLN  61 -10.366   9.108  -2.906
  497   2HE2  GLN  61          2HE2      GLN  61 -11.567   7.959  -3.259
  498    H    LEU  62           H        LEU  62  -6.805   9.314  -3.425
  499    HA   LEU  62           HA       LEU  62  -6.986   6.520  -2.355
  500   1HB   LEU  62          2HB       LEU  62  -5.194   8.710  -2.014
  501   2HB   LEU  62          1HB       LEU  62  -6.035   8.495  -0.481
  502    HG   LEU  62           HG       LEU  62  -4.032   7.113  -0.492
  503   1HD1  LEU  62          1HD1      LEU  62  -5.008   5.133   0.262
  504   2HD1  LEU  62          2HD1      LEU  62  -6.231   5.132  -1.008
  505   3HD1  LEU  62          3HD1      LEU  62  -6.369   6.249   0.350
  506   1HD2  LEU  62          1HD2      LEU  62  -4.245   6.955  -3.141
  507   2HD2  LEU  62          2HD2      LEU  62  -5.068   5.445  -2.752
  508   3HD2  LEU  62          3HD2      LEU  62  -3.406   5.706  -2.222
  509    H    MET  63           H        MET  63  -8.361   6.121  -0.544
  510    HA   MET  63           HA       MET  63 -10.144   8.349   0.345
  511   1HB   MET  63          2HB       MET  63 -11.101   7.052  -1.599
  512   2HB   MET  63          1HB       MET  63 -11.083   5.616  -0.579
  513   1HG   MET  63          2HG       MET  63 -13.302   6.624  -0.496
  514   2HG   MET  63          1HG       MET  63 -12.519   6.817   1.072
  515   1HE   MET  63          1HE       MET  63 -13.365  10.218   1.792
  516   2HE   MET  63          2HE       MET  63 -12.879   8.594   2.275
  517   3HE   MET  63          3HE       MET  63 -14.453   8.848   1.525
  518    H    LYS  64           H        LYS  64 -10.651   8.208   2.522
  519    HA   LYS  64           HA       LYS  64  -9.600   5.846   4.028
  520   1HB   LYS  64          2HB       LYS  64  -9.621   7.402   5.940
  521   2HB   LYS  64          1HB       LYS  64  -8.773   8.132   4.579
  522   1HG   LYS  64          2HG       LYS  64 -11.464   8.855   4.218
  523   2HG   LYS  64          1HG       LYS  64 -11.173   9.041   5.946
  524   1HD   LYS  64          2HD       LYS  64  -9.056  10.073   4.128
  525   2HD   LYS  64          1HD       LYS  64 -10.574  10.970   4.156
  526   1HE   LYS  64          2HE       LYS  64  -9.209  10.179   6.736
  527   2HE   LYS  64          1HE       LYS  64  -8.756  11.663   5.877
  528   1HZ   LYS  64          1HZ       LYS  64 -10.964  12.456   5.962
  529   2HZ   LYS  64          2HZ       LYS  64 -10.624  11.898   7.531
  530   3HZ   LYS  64          3HZ       LYS  64 -11.576  10.961   6.482
  531    H    THR  65           H        THR  65 -11.047   4.478   5.063
  532    HA   THR  65           HA       THR  65 -13.823   5.422   5.590
  533    HB   THR  65           HB       THR  65 -13.677   4.519   3.263
  534    HG1  THR  65           1HG      THR  65 -15.624   4.283   4.282
  535   1HG2  THR  65          1HG2      THR  65 -13.114   1.848   4.566
  536   2HG2  THR  65          2HG2      THR  65 -11.847   2.853   3.864
  537   3HG2  THR  65          3HG2      THR  65 -13.142   2.228   2.844
  538    H    GLU  66           H        GLU  66 -15.088   3.434   6.605
  539    HA   GLU  66           HA       GLU  66 -13.257   1.961   8.475
  540   1HB   GLU  66          2HB       GLU  66 -14.867   2.463  10.250
  541   2HB   GLU  66          1HB       GLU  66 -14.386   3.966   9.465
  542   1HG   GLU  66          2HG       GLU  66 -16.748   2.608   8.286
  543   2HG   GLU  66          1HG       GLU  66 -16.978   3.274   9.901
  544    H    ARG  67           H        ARG  67 -14.623   1.075   5.936
  545    HA   ARG  67           HA       ARG  67 -16.210  -1.182   7.113
  546   1HB   ARG  67          2HB       ARG  67 -16.993   0.934   5.305
  547   2HB   ARG  67          1HB       ARG  67 -17.118  -0.619   4.480
  548   1HG   ARG  67          2HG       ARG  67 -19.219  -0.346   5.544
  549   2HG   ARG  67          1HG       ARG  67 -18.333  -1.450   6.594
  550   1HD   ARG  67          2HD       ARG  67 -17.716   1.255   7.374
  551   2HD   ARG  67          1HD       ARG  67 -19.476   1.053   7.317
  552    HE   ARG  67           HE       ARG  67 -17.616  -0.427   9.070
  553   1HH1  ARG  67          1HH2      ARG  67 -20.799  -0.184   7.665
  554   2HH1  ARG  67          2HH2      ARG  67 -21.536  -1.169   8.879
  555   1HH2  ARG  67          1HH1      ARG  67 -18.602  -1.710  10.644
  556   2HH2  ARG  67          2HH1      ARG  67 -20.303  -2.028  10.557
  557    HA   PRO  68           HA       PRO  68 -16.991  -3.017   6.514
  558   1HB   PRO  68          2HB       PRO  68 -16.072  -5.509   7.161
  559   2HB   PRO  68          1HB       PRO  68 -16.864  -5.142   5.617
  560   1HG   PRO  68          2HG       PRO  68 -13.974  -5.453   6.236
  561   2HG   PRO  68          1HG       PRO  68 -14.884  -5.961   4.805
  562   1HD   PRO  68          2HD       PRO  68 -13.302  -3.734   4.892
  563   2HD   PRO  68          1HD       PRO  68 -14.687  -3.922   3.799
  564    H    ARG  69           H        ARG  69 -13.582  -2.939   7.361
  565    HA   ARG  69           HA       ARG  69 -14.271  -3.043  10.277
  566   1HB   ARG  69          2HB       ARG  69 -11.732  -3.544   8.699
  567   2HB   ARG  69          1HB       ARG  69 -11.767  -3.479  10.458
  568   1HG   ARG  69          2HG       ARG  69 -13.749  -5.260   9.101
  569   2HG   ARG  69          1HG       ARG  69 -12.069  -5.789   9.143
  570   1HD   ARG  69          2HD       ARG  69 -12.907  -6.683  11.154
  571   2HD   ARG  69          1HD       ARG  69 -12.233  -5.141  11.704
  572    HE   ARG  69           HE       ARG  69 -14.479  -4.187  11.674
  573   1HH1  ARG  69          1HH2      ARG  69 -14.348  -7.617  11.051
  574   2HH1  ARG  69          2HH2      ARG  69 -16.024  -7.851  11.389
  575   1HH2  ARG  69          1HH1      ARG  69 -16.657  -4.520  12.095
  576   2HH2  ARG  69          2HH1      ARG  69 -17.324  -6.114  11.979
  577    HA   PRO  70           HA       PRO  70 -13.196   1.192  10.740
  578   1HB   PRO  70          2HB       PRO  70 -11.813   1.212  13.107
  579   2HB   PRO  70          1HB       PRO  70 -13.572   0.989  13.009
  580   1HG   PRO  70          2HG       PRO  70 -11.424  -1.050  13.346
  581   2HG   PRO  70          1HG       PRO  70 -13.009  -0.942  14.129
  582   1HD   PRO  70          2HD       PRO  70 -12.506  -2.623  12.067
  583   2HD   PRO  70          1HD       PRO  70 -14.103  -1.894  12.348
  584    H    ASN  71           H        ASN  71 -11.373   2.722  10.690
  585    HA   ASN  71           HA       ASN  71  -9.262   3.426   9.913
  586   1HB   ASN  71          2HB       ASN  71  -8.565   0.867  11.391
  587   2HB   ASN  71          1HB       ASN  71  -7.369   2.033  10.837
  588   1HD2  ASN  71          1HD2      ASN  71  -8.117   1.275  13.663
  589   2HD2  ASN  71          2HD2      ASN  71  -8.558   2.732  14.412
  590    H    THR  72           H        THR  72 -10.500   2.574   7.780
  591    HA   THR  72           HA       THR  72  -8.720   0.535   6.479
  592    HB   THR  72           HB       THR  72 -11.675   1.141   6.221
  593    HG1  THR  72           1HG      THR  72 -10.082  -0.900   7.270
  594   1HG2  THR  72          1HG2      THR  72  -9.842  -0.452   4.440
  595   2HG2  THR  72          2HG2      THR  72 -11.079   0.718   3.984
  596   3HG2  THR  72          3HG2      THR  72 -11.548  -0.872   4.587
  597    H    PHE  73           H        PHE  73  -8.261   0.873   4.231
  598    HA   PHE  73           HA       PHE  73  -8.647   3.689   3.259
  599   1HB   PHE  73          2HB       PHE  73  -6.285   1.997   3.725
  600   2HB   PHE  73          1HB       PHE  73  -6.314   2.715   2.115
  601    HD1  PHE  73           1HD      PHE  73  -7.353   5.309   2.289
  602    HD2  PHE  73           2HD      PHE  73  -5.041   3.225   5.248
  603    HE1  PHE  73           1HE      PHE  73  -6.621   7.476   3.242
  604    HE2  PHE  73           2HE      PHE  73  -4.309   5.391   6.201
  605    HZ   PHE  73           HZ       PHE  73  -5.098   7.517   5.200
  606    H    VAL  74           H        VAL  74  -9.154   3.875   1.048
  607    HA   VAL  74           HA       VAL  74  -9.307   1.359  -0.574
  608    HB   VAL  74           HB       VAL  74 -11.443   3.481  -0.144
  609   1HG1  VAL  74          1HG1      VAL  74 -11.798   2.919  -2.369
  610   2HG1  VAL  74          2HG1      VAL  74 -12.740   1.662  -1.569
  611   3HG1  VAL  74          3HG1      VAL  74 -11.125   1.301  -2.178
  612   1HG2  VAL  74          1HG2      VAL  74 -12.737   1.397   0.600
  613   2HG2  VAL  74          2HG2      VAL  74 -11.457   1.939   1.685
  614   3HG2  VAL  74          3HG2      VAL  74 -11.184   0.561   0.621
  615    H    ILE  75           H        ILE  75  -8.190   1.723  -2.467
  616    HA   ILE  75           HA       ILE  75  -7.920   4.557  -3.405
  617    HB   ILE  75           HB       ILE  75  -5.818   3.501  -2.808
  618   1HG1  ILE  75          2HG1      ILE  75  -5.957   3.332  -5.822
  619   2HG1  ILE  75          1HG1      ILE  75  -6.046   4.876  -4.975
  620   1HG2  ILE  75          1HG2      ILE  75  -5.052   1.433  -3.915
  621   2HG2  ILE  75          2HG2      ILE  75  -6.605   1.297  -4.735
  622   3HG2  ILE  75          3HG2      ILE  75  -6.518   1.148  -2.981
  623   1HD1  ILE  75          1HD1      ILE  75  -3.872   3.317  -3.901
  624   2HD1  ILE  75          2HD1      ILE  75  -3.816   4.895  -4.687
  625   3HD1  ILE  75          3HD1      ILE  75  -3.713   3.424  -5.654
  626    H    ARG  76           H        ARG  76  -9.102   5.069  -5.168
  627    HA   ARG  76           HA       ARG  76  -9.785   2.902  -7.134
  628   1HB   ARG  76          2HB       ARG  76 -11.671   3.643  -5.693
  629   2HB   ARG  76          1HB       ARG  76 -11.413   5.304  -6.229
  630   1HG   ARG  76          2HG       ARG  76 -11.644   4.228  -8.637
  631   2HG   ARG  76          1HG       ARG  76 -12.506   2.966  -7.758
  632   1HD   ARG  76          2HD       ARG  76 -14.348   4.286  -7.765
  633   2HD   ARG  76          1HD       ARG  76 -13.468   5.456  -6.765
  634    HE   ARG  76           HE       ARG  76 -12.816   5.545  -9.637
  635   1HH1  ARG  76          1HH2      ARG  76 -14.743   6.791  -7.018
  636   2HH1  ARG  76          2HH2      ARG  76 -15.099   8.273  -7.830
  637   1HH2  ARG  76          1HH1      ARG  76 -13.302   7.482 -10.686
  638   2HH2  ARG  76          2HH1      ARG  76 -14.299   8.661  -9.901
  639    H    CYS  77           H        CYS  77  -8.748   3.330  -9.046
  640    HA   CYS  77           HA       CYS  77  -7.715   6.004  -9.669
  641   1HB   CYS  77          2HB       CYS  77  -7.483   3.226 -10.612
  642   2HB   CYS  77          1HB       CYS  77  -7.419   4.414 -11.913
  643    H    LEU  78           H        LEU  78  -8.253   7.106 -11.731
  644    HA   LEU  78           HA       LEU  78 -11.069   7.502 -12.090
  645   1HB   LEU  78          2HB       LEU  78 -10.307   8.902 -14.008
  646   2HB   LEU  78          1HB       LEU  78  -9.366   9.204 -12.550
  647    HG   LEU  78           HG       LEU  78  -8.090   7.070 -13.952
  648   1HD1  LEU  78          1HD1      LEU  78  -8.441   9.505 -15.713
  649   2HD1  LEU  78          2HD1      LEU  78  -9.433   8.059 -15.899
  650   3HD1  LEU  78          3HD1      LEU  78  -7.687   7.965 -16.124
  651   1HD2  LEU  78          1HD2      LEU  78  -7.218   9.966 -13.873
  652   2HD2  LEU  78          2HD2      LEU  78  -6.206   8.522 -13.847
  653   3HD2  LEU  78          3HD2      LEU  78  -7.179   8.943 -12.437
  654    H    GLN  79           H        GLN  79 -12.502   6.285 -13.215
  655    HA   GLN  79           HA       GLN  79 -11.675   4.862 -15.686
  656   1HB   GLN  79          2HB       GLN  79 -12.322   3.650 -13.043
  657   2HB   GLN  79          1HB       GLN  79 -13.035   2.866 -14.450
  658   1HG   GLN  79          2HG       GLN  79 -11.059   1.948 -15.016
  659   2HG   GLN  79          1HG       GLN  79 -10.261   3.520 -14.966
  660   1HE2  GLN  79          1HE2      GLN  79 -11.643   1.205 -12.545
  661   2HE2  GLN  79          2HE2      GLN  79 -10.335   1.333 -11.469
  662    H    TRP  80           H        TRP  80 -14.402   5.023 -13.346
  663    HA   TRP  80           HA       TRP  80 -16.190   5.817 -15.616
  664   1HB   TRP  80          2HB       TRP  80 -16.541   3.697 -13.475
  665   2HB   TRP  80          1HB       TRP  80 -17.893   4.308 -14.427
  666    HD1  TRP  80           HD       TRP  80 -15.269   1.742 -14.479
  667    HE1  TRP  80           1HE      TRP  80 -15.072   0.672 -16.815
  668    HE3  TRP  80           3HE      TRP  80 -18.029   5.064 -17.203
  669    HZ2  TRP  80           2HZ      TRP  80 -15.968   1.161 -19.489
  670    HZ3  TRP  80           3HZ      TRP  80 -18.341   4.739 -19.639
  671    HH2  TRP  80           HH       TRP  80 -17.315   2.793 -20.785
  672    H    THR  81           H        THR  81 -17.489   5.205 -12.435
  673    HA   THR  81           HA       THR  81 -17.250   8.049 -11.608
  674    HB   THR  81           HB       THR  81 -19.915   6.641 -12.007
  675    HG1  THR  81           1HG      THR  81 -18.568   8.574 -13.587
  676   1HG2  THR  81          1HG2      THR  81 -19.185   9.509 -11.350
  677   2HG2  THR  81          2HG2      THR  81 -19.968   8.354 -10.271
  678   3HG2  THR  81          3HG2      THR  81 -20.817   8.941 -11.702
  679    H    THR  82           H        THR  82 -19.192   5.134 -10.810
  680    HA   THR  82           HA       THR  82 -18.299   5.417  -7.959
  681    HB   THR  82           HB       THR  82 -20.493   3.899  -7.776
  682    HG1  THR  82           1HG      THR  82 -21.361   3.694  -9.669
  683   1HG2  THR  82          1HG2      THR  82 -20.250   6.106  -6.760
  684   2HG2  THR  82          2HG2      THR  82 -21.819   5.988  -7.554
  685   3HG2  THR  82          3HG2      THR  82 -20.507   6.879  -8.325
  686    H    VAL  83           H        VAL  83 -16.525   4.120  -9.658
  687    HA   VAL  83           HA       VAL  83 -17.037   1.195  -9.322
  688    HB   VAL  83           HB       VAL  83 -16.489   2.115 -11.567
  689   1HG1  VAL  83          1HG1      VAL  83 -13.873   2.712 -11.684
  690   2HG1  VAL  83          2HG1      VAL  83 -14.195   3.264 -10.042
  691   3HG1  VAL  83          3HG1      VAL  83 -15.102   3.942 -11.393
  692   1HG2  VAL  83          1HG2      VAL  83 -15.615  -0.180 -10.569
  693   2HG2  VAL  83          2HG2      VAL  83 -14.039   0.590 -10.749
  694   3HG2  VAL  83          3HG2      VAL  83 -15.077   0.368 -12.158
  695    H    ILE  84           H        ILE  84 -16.539   2.292  -6.899
  696    HA   ILE  84           HA       ILE  84 -13.845   2.692  -6.080
  697    HB   ILE  84           HB       ILE  84 -16.012   3.137  -4.833
  698   1HG1  ILE  84          2HG1      ILE  84 -14.334   1.510  -2.987
  699   2HG1  ILE  84          1HG1      ILE  84 -13.509   2.784  -3.885
  700   1HG2  ILE  84          1HG2      ILE  84 -17.144   1.402  -3.703
  701   2HG2  ILE  84          2HG2      ILE  84 -15.808   0.270  -3.914
  702   3HG2  ILE  84          3HG2      ILE  84 -16.815   0.713  -5.293
  703   1HD1  ILE  84          1HD1      ILE  84 -14.331   3.673  -1.758
  704   2HD1  ILE  84          2HD1      ILE  84 -15.966   3.134  -2.142
  705   3HD1  ILE  84          3HD1      ILE  84 -15.211   4.413  -3.094
  706    H    GLU  85           H        GLU  85 -12.233   1.255  -5.370
  707    HA   GLU  85           HA       GLU  85 -12.728  -1.628  -5.117
  708   1HB   GLU  85          2HB       GLU  85 -11.220  -2.142  -7.081
  709   2HB   GLU  85          1HB       GLU  85 -12.742  -1.378  -7.539
  710   1HG   GLU  85          2HG       GLU  85 -11.634   0.809  -7.670
  711   2HG   GLU  85          1HG       GLU  85 -10.112   0.089  -7.149
  712    H    ARG  86           H        ARG  86 -10.329  -2.717  -5.156
  713    HA   ARG  86           HA       ARG  86  -8.282  -2.901  -4.002
  714   1HB   ARG  86          2HB       ARG  86  -8.140  -0.900  -5.787
  715   2HB   ARG  86          1HB       ARG  86  -7.888   0.043  -4.317
  716   1HG   ARG  86          2HG       ARG  86  -5.896  -1.030  -3.798
  717   2HG   ARG  86          1HG       ARG  86  -6.348  -2.505  -4.650
  718   1HD   ARG  86          2HD       ARG  86  -5.386  -1.791  -6.582
  719   2HD   ARG  86          1HD       ARG  86  -6.149  -0.193  -6.454
  720    HE   ARG  86           HE       ARG  86  -4.192  -0.280  -4.433
  721   1HH1  ARG  86          1HH2      ARG  86  -4.307  -0.533  -7.903
  722   2HH1  ARG  86          2HH2      ARG  86  -2.748   0.184  -8.124
  723   1HH2  ARG  86          1HH1      ARG  86  -2.166   0.666  -4.739
  724   2HH2  ARG  86          2HH1      ARG  86  -1.543   0.868  -6.343
  725    H    THR  87           H        THR  87  -9.404  -3.275  -1.932
  726    HA   THR  87           HA       THR  87  -9.446  -0.898  -0.104
  727    HB   THR  87           HB       THR  87 -10.987  -2.419   1.228
  728    HG1  THR  87           1HG      THR  87 -10.427  -4.403   0.425
  729   1HG2  THR  87          1HG2      THR  87 -12.401  -2.338  -1.302
  730   2HG2  THR  87          2HG2      THR  87 -11.476  -0.859  -1.049
  731   3HG2  THR  87          3HG2      THR  87 -12.660  -1.375   0.152
  732    H    PHE  88           H        PHE  88  -8.162  -0.926   1.714
  733    HA   PHE  88           HA       PHE  88  -6.865  -3.476   2.541
  734   1HB   PHE  88          2HB       PHE  88  -4.828  -2.836   1.780
  735   2HB   PHE  88          1HB       PHE  88  -5.655  -1.560   0.898
  736    HD1  PHE  88           1HD      PHE  88  -5.119   0.676   1.334
  737    HD2  PHE  88           2HD      PHE  88  -4.219  -2.317   4.279
  738    HE1  PHE  88           1HE      PHE  88  -3.926   2.371   2.692
  739    HE2  PHE  88           2HE      PHE  88  -3.032  -0.621   5.638
  740    HZ   PHE  88           HZ       PHE  88  -2.881   1.723   4.845
  741    H    HIS  89           H        HIS  89  -6.508  -3.567   4.774
  742    HA   HIS  89           HA       HIS  89  -7.597  -1.281   6.373
  743   1HB   HIS  89          2HB       HIS  89  -7.252  -4.257   6.834
  744   2HB   HIS  89          1HB       HIS  89  -7.775  -3.153   8.104
  745    HD1  HIS  89           1HD      HIS  89 -10.038  -4.641   7.993
  746    HD2  HIS  89           2HD      HIS  89  -9.291  -2.218   4.689
  747    HE1  HIS  89           1HE      HIS  89 -12.230  -4.435   6.745
  748    H    VAL  90           H        VAL  90  -6.449  -0.611   8.307
  749    HA   VAL  90           HA       VAL  90  -3.519  -1.238   8.235
  750    HB   VAL  90           HB       VAL  90  -3.293   0.926   9.429
  751   1HG1  VAL  90          1HG1      VAL  90  -4.955   0.946   6.899
  752   2HG1  VAL  90          2HG1      VAL  90  -3.198   1.025   7.029
  753   3HG1  VAL  90          3HG1      VAL  90  -4.184   2.383   7.569
  754   1HG2  VAL  90          1HG2      VAL  90  -6.076   1.753   8.940
  755   2HG2  VAL  90          2HG2      VAL  90  -5.045   2.046  10.339
  756   3HG2  VAL  90          3HG2      VAL  90  -5.913   0.520  10.190
  757    H    ASP  91           H        ASP  91  -2.441  -1.520  10.340
  758    HA   ASP  91           HA       ASP  91  -3.951  -3.219  12.152
  759   1HB   ASP  91          2HB       ASP  91  -1.268  -2.687  11.461
  760   2HB   ASP  91          1HB       ASP  91  -1.402  -2.287  13.173
  761    H    SER  92           H        SER  92  -3.125   0.211  12.144
  762    HA   SER  92           HA       SER  92  -4.624   0.519  14.708
  763   1HB   SER  92          2HB       SER  92  -1.756   0.760  14.265
  764   2HB   SER  92          1HB       SER  92  -2.434   2.268  14.872
  765    HG   SER  92           HG       SER  92  -2.101  -0.148  16.111
  766    HA   PRO  93           HA       PRO  93  -6.206   4.155  12.770
  767   1HB   PRO  93          2HB       PRO  93  -6.469   5.854  14.910
  768   2HB   PRO  93          1HB       PRO  93  -7.562   4.487  14.620
  769   1HG   PRO  93          2HG       PRO  93  -5.240   4.691  16.480
  770   2HG   PRO  93          1HG       PRO  93  -6.824   3.938  16.733
  771   1HD   PRO  93          2HD       PRO  93  -4.603   2.500  16.162
  772   2HD   PRO  93          1HD       PRO  93  -6.229   2.000  15.642
  773    H    ASP  94           H        ASP  94  -3.507   4.605  15.054
  774    HA   ASP  94           HA       ASP  94  -2.567   7.142  14.099
  775   1HB   ASP  94          2HB       ASP  94  -1.412   4.758  15.548
  776   2HB   ASP  94          1HB       ASP  94  -0.355   6.085  15.068
  777    H    GLU  95           H        GLU  95  -2.019   3.787  13.064
  778    HA   GLU  95           HA       GLU  95   0.072   4.277  11.148
  779   1HB   GLU  95          2HB       GLU  95  -1.693   2.144  12.043
  780   2HB   GLU  95          1HB       GLU  95  -1.537   2.118  10.288
  781   1HG   GLU  95          2HG       GLU  95   0.370   0.948  10.711
  782   2HG   GLU  95          1HG       GLU  95   1.059   2.540  11.021
  783    H    ARG  96           H        ARG  96  -3.490   4.104  10.841
  784    HA   ARG  96           HA       ARG  96  -3.752   4.521   8.055
  785   1HB   ARG  96          2HB       ARG  96  -5.467   4.019   9.936
  786   2HB   ARG  96          1HB       ARG  96  -5.539   5.770  10.145
  787   1HG   ARG  96          2HG       ARG  96  -6.031   5.954   7.670
  788   2HG   ARG  96          1HG       ARG  96  -6.190   4.197   7.639
  789   1HD   ARG  96          2HD       ARG  96  -8.416   4.907   7.981
  790   2HD   ARG  96          1HD       ARG  96  -7.863   4.588   9.637
  791    HE   ARG  96           HE       ARG  96  -7.156   7.270   8.971
  792   1HH1  ARG  96          1HH2      ARG  96  -9.962   5.295   9.551
  793   2HH1  ARG  96          2HH2      ARG  96 -10.906   6.610  10.161
  794   1HH2  ARG  96          1HH1      ARG  96  -8.390   8.968   9.777
  795   2HH2  ARG  96          2HH1      ARG  96 -10.019   8.684  10.293
  796    H    GLU  97           H        GLU  97  -3.372   6.915  10.680
  797    HA   GLU  97           HA       GLU  97  -3.626   9.256   9.010
  798   1HB   GLU  97          2HB       GLU  97  -2.236   8.751  11.665
  799   2HB   GLU  97          1HB       GLU  97  -2.556  10.351  11.000
  800   1HG   GLU  97          2HG       GLU  97  -4.567   8.280  11.906
  801   2HG   GLU  97          1HG       GLU  97  -4.354   9.920  12.509
  802    H    GLU  98           H        GLU  98  -0.845   7.254  10.011
  803    HA   GLU  98           HA       GLU  98   1.189   8.970   8.882
  804   1HB   GLU  98          2HB       GLU  98   1.454   7.134  10.609
  805   2HB   GLU  98          1HB       GLU  98   1.244   5.966   9.303
  806   1HG   GLU  98          2HG       GLU  98   3.232   6.657   8.209
  807   2HG   GLU  98          1HG       GLU  98   3.321   8.154   9.135
  808    H    TRP  99           H        TRP  99  -0.732   6.254   7.594
  809    HA   TRP  99           HA       TRP  99   0.679   5.907   5.122
  810   1HB   TRP  99          2HB       TRP  99  -2.228   5.515   5.909
  811   2HB   TRP  99          1HB       TRP  99  -1.532   4.914   4.408
  812    HD1  TRP  99           HD       TRP  99  -2.519   3.506   7.419
  813    HE1  TRP  99           1HE      TRP  99  -1.044   1.561   8.211
  814    HE3  TRP  99           3HE      TRP  99   1.631   4.327   4.555
  815    HZ2  TRP  99           2HZ      TRP  99   1.549   0.484   7.703
  816    HZ3  TRP  99           3HZ      TRP  99   3.589   2.816   4.739
  817    HH2  TRP  99           HH       TRP  99   3.548   0.904   6.305
  818    H    MET 100           H        MET 100  -2.114   7.972   5.991
  819    HA   MET 100           HA       MET 100  -2.604   9.119   3.428
  820   1HB   MET 100          2HB       MET 100  -4.062   9.285   5.428
  821   2HB   MET 100          1HB       MET 100  -2.854  10.291   6.225
  822   1HG   MET 100          2HG       MET 100  -3.477  11.354   3.602
  823   2HG   MET 100          1HG       MET 100  -4.948  11.166   4.555
  824   1HE   MET 100          1HE       MET 100  -5.421  12.927   6.897
  825   2HE   MET 100          2HE       MET 100  -3.989  12.714   7.900
  826   3HE   MET 100          3HE       MET 100  -4.684  11.328   7.063
  827    H    ARG 101           H        ARG 101  -0.548  10.289   6.120
  828    HA   ARG 101           HA       ARG 101   0.527  12.581   4.751
  829   1HB   ARG 101          2HB       ARG 101   1.504  10.837   7.039
  830   2HB   ARG 101          1HB       ARG 101   2.269  12.360   6.587
  831   1HG   ARG 101          2HG       ARG 101  -0.693  12.264   7.114
  832   2HG   ARG 101          1HG       ARG 101   0.439  12.373   8.461
  833   1HD   ARG 101          2HD       ARG 101   0.928  14.251   6.201
  834   2HD   ARG 101          1HD       ARG 101  -0.504  14.573   7.197
  835    HE   ARG 101           HE       ARG 101   2.294  14.653   8.115
  836   1HH1  ARG 101          1HH2      ARG 101  -1.077  14.442   8.964
  837   2HH1  ARG 101          2HH2      ARG 101  -0.829  15.024  10.572
  838   1HH2  ARG 101          1HH1      ARG 101   2.600  15.409  10.217
  839   2HH2  ARG 101          2HH1      ARG 101   1.243  15.571  11.280
  840    H    ALA 102           H        ALA 102   1.608   9.200   5.035
  841    HA   ALA 102           HA       ALA 102   4.152   9.504   3.724
  842   1HB   ALA 102          1HB       ALA 102   3.870   7.006   3.455
  843   2HB   ALA 102          2HB       ALA 102   2.227   7.184   4.068
  844   3HB   ALA 102          3HB       ALA 102   3.600   7.582   5.100
  845    H    ILE 103           H        ILE 103   0.907   8.604   2.505
  846    HA   ILE 103           HA       ILE 103   1.604   8.060  -0.199
  847    HB   ILE 103           HB       ILE 103  -0.874   9.138   1.177
  848   1HG1  ILE 103          2HG1      ILE 103  -0.536   6.459  -0.153
  849   2HG1  ILE 103          1HG1      ILE 103   0.141   6.729   1.453
  850   1HG2  ILE 103          1HG2      ILE 103  -1.969   8.263  -1.042
  851   2HG2  ILE 103          2HG2      ILE 103  -0.375   8.554  -1.735
  852   3HG2  ILE 103          3HG2      ILE 103  -1.276   9.885  -1.009
  853   1HD1  ILE 103          1HD1      ILE 103  -2.673   6.443   0.625
  854   2HD1  ILE 103          2HD1      ILE 103  -2.377   7.782   1.736
  855   3HD1  ILE 103          3HD1      ILE 103  -1.924   6.139   2.192
  856    H    GLN 104           H        GLN 104   0.755  11.159   1.383
  857    HA   GLN 104           HA       GLN 104   0.874  12.768  -1.017
  858   1HB   GLN 104          2HB       GLN 104   0.251  13.066   1.710
  859   2HB   GLN 104          1HB       GLN 104   1.619  14.146   1.441
  860   1HG   GLN 104          2HG       GLN 104  -0.365  14.255  -0.718
  861   2HG   GLN 104          1HG       GLN 104  -1.022  14.730   0.847
  862   1HE2  GLN 104          1HE2      GLN 104   1.689  15.441  -1.407
  863   2HE2  GLN 104          2HE2      GLN 104   1.917  17.034  -0.865
  864    H    MET 105           H        MET 105   3.292  11.907   1.468
  865    HA   MET 105           HA       MET 105   5.426  13.582   0.526
  866   1HB   MET 105          2HB       MET 105   5.068  12.165   2.705
  867   2HB   MET 105          1HB       MET 105   5.804  10.862   1.773
  868   1HG   MET 105          2HG       MET 105   7.870  11.780   1.918
  869   2HG   MET 105          1HG       MET 105   7.265  13.396   1.551
  870   1HE   MET 105          1HE       MET 105   9.030  14.094   2.782
  871   2HE   MET 105          2HE       MET 105   9.251  14.116   4.530
  872   3HE   MET 105          3HE       MET 105   8.082  15.202   3.783
  873    H    VAL 106           H        VAL 106   4.425  10.268  -0.322
  874    HA   VAL 106           HA       VAL 106   6.642   9.633  -2.044
  875    HB   VAL 106           HB       VAL 106   3.750   8.712  -1.874
  876   1HG1  VAL 106          1HG1      VAL 106   6.018   7.815  -3.635
  877   2HG1  VAL 106          2HG1      VAL 106   4.320   8.053  -4.046
  878   3HG1  VAL 106          3HG1      VAL 106   4.810   6.652  -3.094
  879   1HG2  VAL 106          1HG2      VAL 106   4.582   6.922  -0.565
  880   2HG2  VAL 106          2HG2      VAL 106   5.458   8.330   0.034
  881   3HG2  VAL 106          3HG2      VAL 106   6.246   7.209  -1.074
  882    H    ALA 107           H        ALA 107   3.434  11.074  -2.659
  883    HA   ALA 107           HA       ALA 107   3.598  11.285  -5.500
  884   1HB   ALA 107          1HB       ALA 107   1.585  11.576  -4.043
  885   2HB   ALA 107          2HB       ALA 107   1.787  12.891  -5.200
  886   3HB   ALA 107          3HB       ALA 107   2.238  13.125  -3.511
  887    H    ASN 108           H        ASN 108   4.915  13.336  -2.920
  888    HA   ASN 108           HA       ASN 108   5.528  15.673  -4.429
  889   1HB   ASN 108          2HB       ASN 108   6.444  14.329  -1.938
  890   2HB   ASN 108          1HB       ASN 108   7.551  15.521  -2.617
  891   1HD2  ASN 108          1HD2      ASN 108   4.572  15.123  -0.868
  892   2HD2  ASN 108          2HD2      ASN 108   4.159  16.766  -0.795
  893    H    SER 109           H        SER 109   7.441  12.685  -3.910
  894    HA   SER 109           HA       SER 109   9.564  13.596  -5.756
  895   1HB   SER 109          2HB       SER 109   9.716  12.137  -3.587
  896   2HB   SER 109          1HB       SER 109   9.188  10.820  -4.631
  897    HG   SER 109           HG       SER 109  11.495  11.057  -4.502
  898    H    LEU 110           H        LEU 110   6.890  11.265  -5.677
  899    HA   LEU 110           HA       LEU 110   7.367   9.922  -8.151
  900   1HB   LEU 110          2HB       LEU 110   5.864   9.097  -6.440
  901   2HB   LEU 110          1HB       LEU 110   4.898  10.563  -6.504
  902    HG   LEU 110           HG       LEU 110   4.023   8.421  -7.701
  903   1HD1  LEU 110          1HD1      LEU 110   3.555  11.108  -8.015
  904   2HD1  LEU 110          2HD1      LEU 110   2.618   9.826  -8.780
  905   3HD1  LEU 110          3HD1      LEU 110   3.927  10.608  -9.664
  906   1HD2  LEU 110          1HD2      LEU 110   6.433   8.482  -8.951
  907   2HD2  LEU 110          2HD2      LEU 110   5.458   9.385 -10.110
  908   3HD2  LEU 110          3HD2      LEU 110   4.995   7.747  -9.654
  909    H    LYS 111           H        LYS 111   5.467  12.851  -7.387
  910    HA   LYS 111           HA       LYS 111   4.713  14.613  -8.740
  911   1HB   LYS 111          2HB       LYS 111   6.730  13.378 -10.652
  912   2HB   LYS 111          1HB       LYS 111   6.018  14.981 -10.826
  913   1HG   LYS 111          2HG       LYS 111   6.973  14.908  -8.188
  914   2HG   LYS 111          1HG       LYS 111   8.233  14.133  -9.146
  915   1HD   LYS 111          2HD       LYS 111   8.785  16.428  -9.238
  916   2HD   LYS 111          1HD       LYS 111   7.961  16.129 -10.767
  917   1HE   LYS 111          2HE       LYS 111   6.182  17.455 -10.207
  918   2HE   LYS 111          1HE       LYS 111   6.174  16.889  -8.524
  919   1HZ   LYS 111          1HZ       LYS 111   7.995  18.265  -7.990
  920   2HZ   LYS 111          2HZ       LYS 111   6.935  19.256  -8.874
  921   3HZ   LYS 111          3HZ       LYS 111   8.324  18.619  -9.618
  Start of MODEL   12
    1   1H    MET   1          1H        MET   1  19.195  -1.172 -11.749
    2   2H    MET   1          2H        MET   1  20.292  -0.183 -10.911
    3   3H    MET   1          3H        MET   1  20.585  -0.593 -12.533
    4    HA   MET   1           HA       MET   1  19.756   1.697 -12.340
    5   1HB   MET   1          2HB       MET   1  18.427  -0.570 -13.747
    6   2HB   MET   1          1HB       MET   1  17.590   0.982 -13.803
    7   1HG   MET   1          2HG       MET   1  19.815   2.008 -14.521
    8   2HG   MET   1          1HG       MET   1  20.397   0.358 -14.746
    9   1HE   MET   1          1HE       MET   1  19.122  -1.396 -15.942
   10   2HE   MET   1          2HE       MET   1  20.253  -0.743 -17.123
   11   3HE   MET   1          3HE       MET   1  18.600  -1.112 -17.607
   12    H    ASN   2           H        ASN   2  17.546   2.876 -12.196
   13    HA   ASN   2           HA       ASN   2  15.691   3.568 -10.917
   14   1HB   ASN   2          2HB       ASN   2  15.093   1.155 -11.705
   15   2HB   ASN   2          1HB       ASN   2  15.425   0.695 -10.034
   16   1HD2  ASN   2          1HD2      ASN   2  13.876   1.291  -8.418
   17   2HD2  ASN   2          2HD2      ASN   2  12.425   2.092  -8.784
   18    H    GLU   3           H        GLU   3  16.706   4.800  -9.305
   19    HA   GLU   3           HA       GLU   3  17.747   3.391  -6.888
   20   1HB   GLU   3          2HB       GLU   3  18.752   5.410  -8.417
   21   2HB   GLU   3          1HB       GLU   3  17.915   6.344  -7.178
   22   1HG   GLU   3          2HG       GLU   3  19.516   5.879  -5.665
   23   2HG   GLU   3          1HG       GLU   3  19.354   4.148  -5.962
   24    H    VAL   4           H        VAL   4  15.526   2.868  -6.120
   25    HA   VAL   4           HA       VAL   4  14.078   5.257  -5.017
   26    HB   VAL   4           HB       VAL   4  13.155   2.526  -5.957
   27   1HG1  VAL   4          1HG1      VAL   4  11.615   4.702  -4.513
   28   2HG1  VAL   4          2HG1      VAL   4  11.905   3.059  -3.943
   29   3HG1  VAL   4          3HG1      VAL   4  10.863   3.337  -5.338
   30   1HG2  VAL   4          1HG2      VAL   4  12.508   5.361  -6.836
   31   2HG2  VAL   4          2HG2      VAL   4  11.780   3.901  -7.508
   32   3HG2  VAL   4          3HG2      VAL   4  13.504   4.204  -7.721
   33    H    SER   5           H        SER   5  14.444   5.421  -2.846
   34    HA   SER   5           HA       SER   5  15.209   3.033  -1.263
   35   1HB   SER   5          2HB       SER   5  15.060   6.013  -0.728
   36   2HB   SER   5          1HB       SER   5  15.561   4.839   0.486
   37    HG   SER   5           HG       SER   5  17.401   5.520  -0.525
   38    H    VAL   6           H        VAL   6  14.130   2.813   0.951
   39    HA   VAL   6           HA       VAL   6  11.200   2.846   0.603
   40    HB   VAL   6           HB       VAL   6  13.056   1.822   2.774
   41   1HG1  VAL   6          1HG1      VAL   6  11.020   0.526   3.492
   42   2HG1  VAL   6          2HG1      VAL   6  10.065   1.510   2.384
   43   3HG1  VAL   6          3HG1      VAL   6  10.881   2.265   3.753
   44   1HG2  VAL   6          1HG2      VAL   6  13.394   0.485   0.860
   45   2HG2  VAL   6          2HG2      VAL   6  11.706   0.605   0.366
   46   3HG2  VAL   6          3HG2      VAL   6  12.151  -0.395   1.748
   47    H    ILE   7           H        ILE   7   9.808   4.224   1.669
   48    HA   ILE   7           HA       ILE   7  11.020   6.412   3.289
   49    HB   ILE   7           HB       ILE   7   8.661   6.010   1.507
   50   1HG1  ILE   7          2HG1      ILE   7   9.299   8.279   0.784
   51   2HG1  ILE   7          1HG1      ILE   7  10.475   8.374   2.096
   52   1HG2  ILE   7          1HG2      ILE   7   7.474   6.661   3.511
   53   2HG2  ILE   7          2HG2      ILE   7   7.578   8.077   2.466
   54   3HG2  ILE   7          3HG2      ILE   7   8.653   7.927   3.858
   55   1HD1  ILE   7          1HD1      ILE   7  11.823   6.651   1.144
   56   2HD1  ILE   7          2HD1      ILE   7  11.403   7.720  -0.193
   57   3HD1  ILE   7          3HD1      ILE   7  10.555   6.187   0.010
   58    H    LYS   8           H        LYS   8   8.462   3.902   3.466
   59    HA   LYS   8           HA       LYS   8   8.622   3.988   6.416
   60   1HB   LYS   8          2HB       LYS   8   6.631   5.416   4.852
   61   2HB   LYS   8          1HB       LYS   8   5.864   4.233   5.909
   62   1HG   LYS   8          2HG       LYS   8   7.915   6.271   6.823
   63   2HG   LYS   8          1HG       LYS   8   6.172   6.456   7.007
   64   1HD   LYS   8          2HD       LYS   8   6.020   4.781   8.608
   65   2HD   LYS   8          1HD       LYS   8   7.464   3.952   8.030
   66   1HE   LYS   8          2HE       LYS   8   7.840   6.713   9.109
   67   2HE   LYS   8          1HE       LYS   8   7.510   5.418  10.276
   68   1HZ   LYS   8          1HZ       LYS   8   9.897   5.632   9.746
   69   2HZ   LYS   8          2HZ       LYS   8   9.559   5.265   8.122
   70   3HZ   LYS   8          3HZ       LYS   8   9.276   4.109   9.337
   71    H    GLU   9           H        GLU   9   8.032   2.029   7.304
   72    HA   GLU   9           HA       GLU   9   6.701   0.011   5.518
   73   1HB   GLU   9          2HB       GLU   9   8.931  -0.348   7.555
   74   2HB   GLU   9          1HB       GLU   9   8.193  -1.646   6.618
   75   1HG   GLU   9          2HG       GLU   9   9.769  -1.253   5.052
   76   2HG   GLU   9          1HG       GLU   9   8.907   0.244   4.693
   77    H    GLY  10           H        GLY  10   5.104  -1.265   6.556
   78   1HA   GLY  10          2HA       GLY  10   4.800  -1.282   9.450
   79   2HA   GLY  10          1HA       GLY  10   3.611  -0.251   8.662
   80    H    TRP  11           H        TRP  11   2.637  -2.388  10.043
   81    HA   TRP  11           HA       TRP  11   2.210  -4.634   8.139
   82   1HB   TRP  11          2HB       TRP  11   1.640  -4.078  11.052
   83   2HB   TRP  11          1HB       TRP  11   0.905  -5.458  10.238
   84    HD1  TRP  11           HD       TRP  11   4.222  -4.132  11.503
   85    HE1  TRP  11           1HE      TRP  11   5.982  -6.010  11.397
   86    HE3  TRP  11           3HE      TRP  11   1.591  -7.665   8.918
   87    HZ2  TRP  11           2HZ      TRP  11   6.244  -8.660  10.354
   88    HZ3  TRP  11           3HZ      TRP  11   2.622  -9.856   8.381
   89    HH2  TRP  11           HH       TRP  11   4.943 -10.355   9.095
   90    H    LEU  12           H        LEU  12   0.295  -4.896   7.024
   91    HA   LEU  12           HA       LEU  12  -2.015  -3.113   7.747
   92   1HB   LEU  12          2HB       LEU  12  -0.915  -3.850   5.014
   93   2HB   LEU  12          1HB       LEU  12  -2.381  -2.911   5.281
   94    HG   LEU  12           HG       LEU  12   0.339  -2.095   6.345
   95   1HD1  LEU  12          1HD1      LEU  12  -0.168  -2.203   3.716
   96   2HD1  LEU  12          2HD1      LEU  12   0.745  -0.876   4.431
   97   3HD1  LEU  12          3HD1      LEU  12  -0.969  -0.673   4.069
   98   1HD2  LEU  12          1HD2      LEU  12  -2.409  -1.090   6.576
   99   2HD2  LEU  12          2HD2      LEU  12  -1.276   0.137   6.011
  100   3HD2  LEU  12          3HD2      LEU  12  -0.987  -0.693   7.540
  101    H    HIS  13           H        HIS  13  -4.115  -4.020   7.259
  102    HA   HIS  13           HA       HIS  13  -4.129  -7.008   7.144
  103   1HB   HIS  13          2HB       HIS  13  -5.697  -4.855   8.408
  104   2HB   HIS  13          1HB       HIS  13  -6.690  -6.134   7.707
  105    HD1  HIS  13           1HD      HIS  13  -6.837  -8.299   8.991
  106    HD2  HIS  13           2HD      HIS  13  -3.703  -5.895  10.324
  107    HE1  HIS  13           1HE      HIS  13  -5.897  -9.425  11.055
  108    H    LYS  14           H        LYS  14  -4.681  -7.941   5.214
  109    HA   LYS  14           HA       LYS  14  -6.431  -6.388   3.329
  110   1HB   LYS  14          2HB       LYS  14  -3.868  -6.803   2.873
  111   2HB   LYS  14          1HB       LYS  14  -4.404  -8.426   2.440
  112   1HG   LYS  14          2HG       LYS  14  -6.239  -6.949   1.088
  113   2HG   LYS  14          1HG       LYS  14  -4.863  -5.848   1.042
  114   1HD   LYS  14          2HD       LYS  14  -4.548  -7.169  -0.880
  115   2HD   LYS  14          1HD       LYS  14  -3.499  -7.939   0.309
  116   1HE   LYS  14          2HE       LYS  14  -5.360  -9.549   0.834
  117   2HE   LYS  14          1HE       LYS  14  -6.286  -8.838  -0.502
  118   1HZ   LYS  14          1HZ       LYS  14  -4.653  -9.451  -2.053
  119   2HZ   LYS  14          2HZ       LYS  14  -4.842 -10.827  -1.072
  120   3HZ   LYS  14          3HZ       LYS  14  -3.504  -9.803  -0.853
  121    H    ARG  15           H        ARG  15  -8.215  -7.501   2.577
  122    HA   ARG  15           HA       ARG  15  -9.039  -9.979   3.785
  123   1HB   ARG  15          2HB       ARG  15 -10.449  -8.084   2.824
  124   2HB   ARG  15          1HB       ARG  15 -10.048  -8.705   1.223
  125   1HG   ARG  15          2HG       ARG  15 -11.918  -9.975   1.500
  126   2HG   ARG  15          1HG       ARG  15 -10.863 -10.994   2.476
  127   1HD   ARG  15          2HD       ARG  15 -12.615 -10.621   3.982
  128   2HD   ARG  15          1HD       ARG  15 -11.544  -9.269   4.396
  129    HE   ARG  15           HE       ARG  15 -13.070  -7.788   3.350
  130   1HH1  ARG  15          1HH2      ARG  15 -13.760 -11.096   2.532
  131   2HH1  ARG  15          2HH2      ARG  15 -15.241 -10.711   1.728
  132   1HH2  ARG  15          1HH1      ARG  15 -15.002  -7.292   2.298
  133   2HH2  ARG  15          2HH1      ARG  15 -15.947  -8.560   1.591
  134    H    GLY  16           H        GLY  16  -9.079 -12.095   2.880
  135   1HA   GLY  16          2HA       GLY  16  -6.923 -12.845   1.170
  136   2HA   GLY  16          1HA       GLY  16  -8.292 -13.881   1.572
  137    H    GLU  17           H        GLU  17 -10.335 -13.448   0.319
  138    HA   GLU  17           HA       GLU  17 -10.193 -11.958  -2.186
  139   1HB   GLU  17          2HB       GLU  17  -8.732 -13.907  -2.652
  140   2HB   GLU  17          1HB       GLU  17 -10.041 -14.996  -2.198
  141   1HG   GLU  17          2HG       GLU  17 -10.006 -14.820  -4.617
  142   2HG   GLU  17          1HG       GLU  17 -11.437 -13.976  -4.025
  143    H    TYR  18           H        TYR  18 -11.738 -14.948  -0.957
  144    HA   TYR  18           HA       TYR  18 -14.410 -13.721  -1.535
  145   1HB   TYR  18          2HB       TYR  18 -15.160 -16.080  -1.763
  146   2HB   TYR  18          1HB       TYR  18 -13.831 -15.716  -2.861
  147    HD1  TYR  18           1HD      TYR  18 -11.658 -16.744  -2.595
  148    HD2  TYR  18           2HD      TYR  18 -14.764 -17.418   0.297
  149    HE1  TYR  18           1HE      TYR  18 -10.327 -18.578  -1.590
  150    HE2  TYR  18           2HE      TYR  18 -13.430 -19.250   1.302
  151    HH   TYR  18           HH       TYR  18 -11.394 -20.883   0.157
  152    H    ILE  19           H        ILE  19 -12.431 -15.304   0.938
  153    HA   ILE  19           HA       ILE  19 -14.562 -15.765   2.841
  154    HB   ILE  19           HB       ILE  19 -12.222 -16.809   2.699
  155   1HG1  ILE  19          2HG1      ILE  19 -12.881 -15.655   5.420
  156   2HG1  ILE  19          1HG1      ILE  19 -13.853 -16.924   4.674
  157   1HG2  ILE  19          1HG2      ILE  19 -11.331 -14.466   4.365
  158   2HG2  ILE  19          2HG2      ILE  19 -11.197 -14.396   2.607
  159   3HG2  ILE  19          3HG2      ILE  19 -10.352 -15.656   3.506
  160   1HD1  ILE  19          1HD1      ILE  19 -12.377 -18.287   5.774
  161   2HD1  ILE  19          2HD1      ILE  19 -11.108 -17.063   5.803
  162   3HD1  ILE  19          3HD1      ILE  19 -11.398 -17.998   4.336
  163    H    LYS  20           H        LYS  20 -15.111 -14.474   4.687
  164    HA   LYS  20           HA       LYS  20 -14.727 -11.567   4.298
  165   1HB   LYS  20          2HB       LYS  20 -16.807 -13.186   5.056
  166   2HB   LYS  20          1HB       LYS  20 -16.241 -12.602   6.619
  167   1HG   LYS  20          2HG       LYS  20 -16.523 -10.592   4.429
  168   2HG   LYS  20          1HG       LYS  20 -18.006 -11.221   5.147
  169   1HD   LYS  20          2HD       LYS  20 -15.702 -10.030   6.723
  170   2HD   LYS  20          1HD       LYS  20 -17.177  -9.164   6.297
  171   1HE   LYS  20          2HE       LYS  20 -18.189 -10.027   8.131
  172   2HE   LYS  20          1HE       LYS  20 -17.949 -11.659   7.481
  173   1HZ   LYS  20          1HZ       LYS  20 -16.719 -11.662   9.447
  174   2HZ   LYS  20          2HZ       LYS  20 -16.139 -10.083   9.211
  175   3HZ   LYS  20          3HZ       LYS  20 -15.543 -11.362   8.258
  176    H    THR  21           H        THR  21 -12.267 -12.428   4.926
  177    HA   THR  21           HA       THR  21 -11.892 -11.554   7.757
  178    HB   THR  21           HB       THR  21 -10.511 -13.939   6.486
  179    HG1  THR  21           1HG      THR  21 -12.696 -13.865   8.299
  180   1HG2  THR  21          1HG2      THR  21  -9.935 -14.442   8.857
  181   2HG2  THR  21          2HG2      THR  21 -10.690 -12.922   9.334
  182   3HG2  THR  21          3HG2      THR  21  -9.259 -12.911   8.304
  183    H    TRP  22           H        TRP  22  -9.896 -10.456   8.081
  184    HA   TRP  22           HA       TRP  22  -8.386  -9.786   5.580
  185   1HB   TRP  22          2HB       TRP  22  -8.901  -8.277   8.166
  186   2HB   TRP  22          1HB       TRP  22  -7.842  -7.688   6.885
  187    HD1  TRP  22           HD       TRP  22 -11.521  -8.724   7.421
  188    HE1  TRP  22           1HE      TRP  22 -12.982  -7.411   5.756
  189    HE3  TRP  22           3HE      TRP  22  -7.891  -6.273   4.805
  190    HZ2  TRP  22           2HZ      TRP  22 -12.655  -5.559   3.597
  191    HZ3  TRP  22           3HZ      TRP  22  -8.491  -4.742   2.954
  192    HH2  TRP  22           HH       TRP  22 -10.866  -4.382   2.345
  193    H    ARG  23           H        ARG  23  -6.203 -10.260   5.544
  194    HA   ARG  23           HA       ARG  23  -5.004 -11.437   8.021
  195   1HB   ARG  23          2HB       ARG  23  -5.011 -12.028   5.162
  196   2HB   ARG  23          1HB       ARG  23  -3.374 -11.975   5.813
  197   1HG   ARG  23          2HG       ARG  23  -3.757 -13.728   7.298
  198   2HG   ARG  23          1HG       ARG  23  -5.499 -13.452   7.334
  199   1HD   ARG  23          2HD       ARG  23  -4.136 -14.347   4.787
  200   2HD   ARG  23          1HD       ARG  23  -4.660 -15.520   6.011
  201    HE   ARG  23           HE       ARG  23  -6.809 -13.711   5.589
  202   1HH1  ARG  23          1HH2      ARG  23  -5.022 -16.169   3.896
  203   2HH1  ARG  23          2HH2      ARG  23  -6.355 -16.609   2.884
  204   1HH2  ARG  23          1HH1      ARG  23  -8.539 -14.292   4.270
  205   2HH2  ARG  23          2HH1      ARG  23  -8.342 -15.547   3.094
  206    HA   PRO  24           HA       PRO  24  -2.363  -7.874   8.183
  207   1HB   PRO  24          2HB       PRO  24  -0.607  -8.809  10.058
  208   2HB   PRO  24          1HB       PRO  24  -2.242  -8.248  10.459
  209   1HG   PRO  24          2HG       PRO  24  -1.209 -11.017  10.181
  210   2HG   PRO  24          1HG       PRO  24  -2.408 -10.365  11.306
  211   1HD   PRO  24          2HD       PRO  24  -3.021 -11.812   9.055
  212   2HD   PRO  24          1HD       PRO  24  -4.126 -10.666   9.842
  213    H    ARG  25           H        ARG  25  -0.672  -7.329   6.854
  214    HA   ARG  25           HA       ARG  25   1.448  -9.362   6.250
  215   1HB   ARG  25          2HB       ARG  25  -0.073  -7.615   4.279
  216   2HB   ARG  25          1HB       ARG  25   1.238  -8.715   3.862
  217   1HG   ARG  25          2HG       ARG  25  -1.041  -9.887   5.383
  218   2HG   ARG  25          1HG       ARG  25  -1.364  -9.423   3.715
  219   1HD   ARG  25          2HD       ARG  25  -0.574 -11.575   3.364
  220   2HD   ARG  25          1HD       ARG  25   0.973 -10.706   3.322
  221    HE   ARG  25           HE       ARG  25   0.922 -11.142   5.913
  222   1HH1  ARG  25          1HH2      ARG  25  -0.315 -13.300   3.467
  223   2HH1  ARG  25          2HH2      ARG  25  -0.073 -14.710   4.434
  224   1HH2  ARG  25          1HH1      ARG  25   1.223 -12.982   7.148
  225   2HH2  ARG  25          2HH1      ARG  25   0.796 -14.533   6.508
  226    H    TYR  26           H        TYR  26   3.525  -8.417   6.066
  227    HA   TYR  26           HA       TYR  26   3.847  -5.694   7.062
  228   1HB   TYR  26          2HB       TYR  26   5.347  -7.691   7.491
  229   2HB   TYR  26          1HB       TYR  26   5.896  -7.556   5.820
  230    HD1  TYR  26           1HD      TYR  26   5.207  -5.125   8.607
  231    HD2  TYR  26           2HD      TYR  26   7.970  -6.521   5.628
  232    HE1  TYR  26           1HE      TYR  26   6.817  -3.364   9.275
  233    HE2  TYR  26           2HE      TYR  26   9.580  -4.760   6.298
  234    HH   TYR  26           HH       TYR  26   9.919  -3.388   8.678
  235    H    PHE  27           H        PHE  27   3.548  -3.946   5.746
  236    HA   PHE  27           HA       PHE  27   4.074  -4.210   2.815
  237   1HB   PHE  27          2HB       PHE  27   2.328  -2.595   4.611
  238   2HB   PHE  27          1HB       PHE  27   2.876  -1.812   3.130
  239    HD1  PHE  27           1HD      PHE  27   0.978  -4.676   4.511
  240    HD2  PHE  27           2HD      PHE  27   2.121  -2.548   0.962
  241    HE1  PHE  27           1HE      PHE  27  -0.736  -5.916   3.217
  242    HE2  PHE  27           2HE      PHE  27   0.411  -3.787  -0.334
  243    HZ   PHE  27           HZ       PHE  27  -1.020  -5.471   0.792
  244    H    LEU  28           H        LEU  28   5.499  -2.790   1.762
  245    HA   LEU  28           HA       LEU  28   7.180  -1.011   3.515
  246   1HB   LEU  28          2HB       LEU  28   7.819  -2.964   1.304
  247   2HB   LEU  28          1HB       LEU  28   8.918  -1.628   1.643
  248    HG   LEU  28           HG       LEU  28   8.478  -2.567   4.166
  249   1HD1  LEU  28          1HD1      LEU  28   8.648  -5.038   2.424
  250   2HD1  LEU  28          2HD1      LEU  28   7.128  -4.456   3.102
  251   3HD1  LEU  28          3HD1      LEU  28   8.435  -4.960   4.173
  252   1HD2  LEU  28          1HD2      LEU  28  10.543  -3.273   2.078
  253   2HD2  LEU  28          2HD2      LEU  28  10.665  -3.891   3.726
  254   3HD2  LEU  28          3HD2      LEU  28  10.690  -2.152   3.432
  255    H    LEU  29           H        LEU  29   6.903   1.119   2.911
  256    HA   LEU  29           HA       LEU  29   5.877   1.725   0.175
  257   1HB   LEU  29          2HB       LEU  29   4.889   2.567   2.414
  258   2HB   LEU  29          1HB       LEU  29   6.293   3.632   2.487
  259    HG   LEU  29           HG       LEU  29   4.787   3.580  -0.082
  260   1HD1  LEU  29          1HD1      LEU  29   3.528   4.164   2.480
  261   2HD1  LEU  29          2HD1      LEU  29   2.800   4.047   0.879
  262   3HD1  LEU  29          3HD1      LEU  29   3.514   5.568   1.413
  263   1HD2  LEU  29          1HD2      LEU  29   6.869   5.025   0.816
  264   2HD2  LEU  29          2HD2      LEU  29   5.561   6.056   1.394
  265   3HD2  LEU  29          3HD2      LEU  29   5.698   5.684  -0.324
  266    H    LYS  30           H        LYS  30   7.219   2.651  -1.344
  267    HA   LYS  30           HA       LYS  30   9.954   3.472  -0.436
  268   1HB   LYS  30          2HB       LYS  30   8.872   2.357  -3.035
  269   2HB   LYS  30          1HB       LYS  30  10.539   2.885  -2.814
  270   1HG   LYS  30          2HG       LYS  30  10.183   1.255  -0.632
  271   2HG   LYS  30          1HG       LYS  30   9.206   0.439  -1.854
  272   1HD   LYS  30          2HD       LYS  30  12.017   1.372  -2.444
  273   2HD   LYS  30          1HD       LYS  30  11.699  -0.204  -1.720
  274   1HE   LYS  30          2HE       LYS  30   9.884  -0.105  -3.832
  275   2HE   LYS  30          1HE       LYS  30  11.344   0.650  -4.500
  276   1HZ   LYS  30          1HZ       LYS  30  11.357  -1.881  -2.941
  277   2HZ   LYS  30          2HZ       LYS  30  12.661  -1.184  -3.781
  278   3HZ   LYS  30          3HZ       LYS  30  11.340  -1.824  -4.636
  279    H    SER  31           H        SER  31  10.968   5.027  -2.166
  280    HA   SER  31           HA       SER  31   9.441   7.501  -2.154
  281   1HB   SER  31          2HB       SER  31  12.107   6.643  -2.363
  282   2HB   SER  31          1HB       SER  31  11.770   7.441  -3.896
  283    HG   SER  31           HG       SER  31  12.364   9.041  -2.516
  284    H    ASP  32           H        ASP  32   9.237   4.853  -4.228
  285    HA   ASP  32           HA       ASP  32   8.951   6.295  -6.765
  286   1HB   ASP  32          2HB       ASP  32   9.809   4.003  -6.635
  287   2HB   ASP  32          1HB       ASP  32   8.331   3.470  -5.837
  288    H    GLY  33           H        GLY  33   6.966   5.864  -4.027
  289   1HA   GLY  33          2HA       GLY  33   4.765   6.714  -3.751
  290   2HA   GLY  33          1HA       GLY  33   4.616   6.844  -5.505
  291    H    SER  34           H        SER  34   5.714   3.935  -3.832
  292    HA   SER  34           HA       SER  34   3.078   2.620  -4.202
  293   1HB   SER  34          2HB       SER  34   5.645   1.761  -5.585
  294   2HB   SER  34          1HB       SER  34   4.135   0.861  -5.616
  295    HG   SER  34           HG       SER  34   3.391   3.175  -6.379
  296    H    PHE  35           H        PHE  35   2.873   0.749  -2.884
  297    HA   PHE  35           HA       PHE  35   5.267   0.015  -1.254
  298   1HB   PHE  35          2HB       PHE  35   3.598  -0.194   0.688
  299   2HB   PHE  35          1HB       PHE  35   4.015   1.436   0.182
  300    HD1  PHE  35           1HD      PHE  35   1.367  -1.043   0.468
  301    HD2  PHE  35           2HD      PHE  35   2.410   2.766  -1.217
  302    HE1  PHE  35           1HE      PHE  35  -1.034  -0.540   0.124
  303    HE2  PHE  35           2HE      PHE  35   0.007   3.268  -1.568
  304    HZ   PHE  35           HZ       PHE  35  -1.716   1.615  -0.892
  305    H    ILE  36           H        ILE  36   5.560  -2.166  -1.036
  306    HA   ILE  36           HA       ILE  36   3.513  -3.944  -2.297
  307    HB   ILE  36           HB       ILE  36   6.496  -4.110  -1.785
  308   1HG1  ILE  36          2HG1      ILE  36   6.241  -4.573  -4.383
  309   2HG1  ILE  36          1HG1      ILE  36   4.691  -3.765  -4.160
  310   1HG2  ILE  36          1HG2      ILE  36   6.538  -6.337  -2.617
  311   2HG2  ILE  36          2HG2      ILE  36   4.856  -6.259  -3.139
  312   3HG2  ILE  36          3HG2      ILE  36   5.244  -6.330  -1.420
  313   1HD1  ILE  36          1HD1      ILE  36   5.667  -1.737  -3.636
  314   2HD1  ILE  36          2HD1      ILE  36   6.897  -2.384  -4.722
  315   3HD1  ILE  36          3HD1      ILE  36   7.120  -2.487  -2.976
  316    H    GLY  37           H        GLY  37   2.572  -5.585  -1.129
  317   1HA   GLY  37          2HA       GLY  37   3.011  -5.609   1.792
  318   2HA   GLY  37          1HA       GLY  37   1.694  -6.410   0.936
  319    H    TYR  38           H        TYR  38   3.997  -7.258   2.858
  320    HA   TYR  38           HA       TYR  38   4.964  -9.590   1.235
  321   1HB   TYR  38          2HB       TYR  38   6.238  -7.615   2.906
  322   2HB   TYR  38          1HB       TYR  38   6.462  -9.203   3.637
  323    HD1  TYR  38           1HD      TYR  38   8.244 -10.504   2.918
  324    HD2  TYR  38           2HD      TYR  38   6.599  -7.561   0.258
  325    HE1  TYR  38           1HE      TYR  38  10.000 -11.029   1.250
  326    HE2  TYR  38           2HE      TYR  38   8.353  -8.089  -1.414
  327    HH   TYR  38           HH       TYR  38  10.073 -10.754  -1.486
  328    H    LYS  39           H        LYS  39   4.951 -11.659   2.315
  329    HA   LYS  39           HA       LYS  39   2.727 -12.095   4.139
  330   1HB   LYS  39          2HB       LYS  39   3.277 -13.742   2.472
  331   2HB   LYS  39          1HB       LYS  39   4.960 -13.797   2.991
  332   1HG   LYS  39          2HG       LYS  39   4.263 -14.749   5.162
  333   2HG   LYS  39          1HG       LYS  39   2.578 -14.698   4.641
  334   1HD   LYS  39          2HD       LYS  39   3.292 -16.929   4.217
  335   2HD   LYS  39          1HD       LYS  39   3.308 -16.131   2.645
  336   1HE   LYS  39          2HE       LYS  39   5.450 -16.925   2.496
  337   2HE   LYS  39          1HE       LYS  39   5.855 -15.594   3.597
  338   1HZ   LYS  39          1HZ       LYS  39   5.760 -16.957   5.439
  339   2HZ   LYS  39          2HZ       LYS  39   6.416 -18.019   4.283
  340   3HZ   LYS  39          3HZ       LYS  39   4.768 -18.111   4.684
  341    H    GLU  40           H        GLU  40   6.276 -12.055   4.466
  342    HA   GLU  40           HA       GLU  40   5.930 -12.054   7.443
  343   1HB   GLU  40          2HB       GLU  40   7.179 -13.966   5.719
  344   2HB   GLU  40          1HB       GLU  40   8.448 -13.178   6.656
  345   1HG   GLU  40          2HG       GLU  40   7.668 -13.992   8.662
  346   2HG   GLU  40          1HG       GLU  40   5.987 -13.993   8.129
  347    H    ARG  41           H        ARG  41   7.619 -10.890   8.577
  348    HA   ARG  41           HA       ARG  41   8.523  -8.484   7.202
  349   1HB   ARG  41          2HB       ARG  41   8.010  -9.380   9.838
  350   2HB   ARG  41          1HB       ARG  41   9.713  -8.923   9.802
  351   1HG   ARG  41          2HG       ARG  41   8.941  -6.777   8.614
  352   2HG   ARG  41          1HG       ARG  41   7.313  -7.221   9.126
  353   1HD   ARG  41          2HD       ARG  41   8.035  -5.859  10.907
  354   2HD   ARG  41          1HD       ARG  41   8.445  -7.480  11.503
  355    HE   ARG  41           HE       ARG  41  10.636  -6.557   9.945
  356   1HH1  ARG  41          1HH2      ARG  41   8.969  -5.802  12.903
  357   2HH1  ARG  41          2HH2      ARG  41  10.379  -5.159  13.672
  358   1HH2  ARG  41          1HH1      ARG  41  12.468  -5.716  10.957
  359   2HH2  ARG  41          2HH1      ARG  41  12.354  -5.111  12.576
  360    HA   PRO  42           HA       PRO  42  12.880 -10.304   7.932
  361   1HB   PRO  42          2HB       PRO  42  13.128 -12.880   8.816
  362   2HB   PRO  42          1HB       PRO  42  13.001 -11.489   9.910
  363   1HG   PRO  42          2HG       PRO  42  10.939 -13.473   9.126
  364   2HG   PRO  42          1HG       PRO  42  11.199 -12.665  10.678
  365   1HD   PRO  42          2HD       PRO  42   9.263 -11.962   8.857
  366   2HD   PRO  42          1HD       PRO  42   9.926 -10.873  10.093
  367    H    GLU  43           H        GLU  43  14.244 -11.547   6.475
  368    HA   GLU  43           HA       GLU  43  12.810 -12.581   4.122
  369   1HB   GLU  43          2HB       GLU  43  15.071 -12.566   3.147
  370   2HB   GLU  43          1HB       GLU  43  14.746 -11.047   3.977
  371   1HG   GLU  43          2HG       GLU  43  16.780 -11.444   4.942
  372   2HG   GLU  43          1HG       GLU  43  15.843 -12.476   6.016
  373    H    ALA  44           H        ALA  44  14.420 -13.920   6.901
  374    HA   ALA  44           HA       ALA  44  14.691 -16.144   7.610
  375   1HB   ALA  44          1HB       ALA  44  13.287 -17.114   5.150
  376   2HB   ALA  44          2HB       ALA  44  12.382 -16.136   6.306
  377   3HB   ALA  44          3HB       ALA  44  13.119 -17.653   6.820
  378    HA   PRO  45           HA       PRO  45  18.339 -17.053   5.248
  379   1HB   PRO  45          2HB       PRO  45  19.310 -18.978   6.932
  380   2HB   PRO  45          1HB       PRO  45  19.420 -17.240   7.276
  381   1HG   PRO  45          2HG       PRO  45  17.519 -19.263   8.342
  382   2HG   PRO  45          1HG       PRO  45  18.280 -17.888   9.156
  383   1HD   PRO  45          2HD       PRO  45  15.695 -17.885   8.253
  384   2HD   PRO  45          1HD       PRO  45  16.678 -16.418   8.448
  385    H    ASP  46           H        ASP  46  15.920 -19.438   6.199
  386    HA   ASP  46           HA       ASP  46  16.806 -21.172   3.910
  387   1HB   ASP  46          2HB       ASP  46  15.896 -21.813   6.722
  388   2HB   ASP  46          1HB       ASP  46  15.817 -23.022   5.441
  389    H    GLN  47           H        GLN  47  14.893 -19.072   3.640
  390    HA   GLN  47           HA       GLN  47  12.626 -20.497   2.546
  391   1HB   GLN  47          2HB       GLN  47  12.028 -20.733   4.890
  392   2HB   GLN  47          1HB       GLN  47  12.343 -19.026   5.190
  393   1HG   GLN  47          2HG       GLN  47  10.482 -19.100   3.064
  394   2HG   GLN  47          1HG       GLN  47   9.916 -20.281   4.243
  395   1HE2  GLN  47          1HE2      GLN  47  10.066 -19.366   6.653
  396   2HE2  GLN  47          2HE2      GLN  47   9.529 -17.767   6.851
  397    H    THR  48           H        THR  48  13.232 -19.112   0.741
  398    HA   THR  48           HA       THR  48  13.321 -16.217   1.006
  399    HB   THR  48           HB       THR  48  14.523 -17.551  -0.722
  400    HG1  THR  48           1HG      THR  48  14.277 -15.514  -1.362
  401   1HG2  THR  48          1HG2      THR  48  13.479 -18.929  -2.202
  402   2HG2  THR  48          2HG2      THR  48  12.101 -17.843  -2.390
  403   3HG2  THR  48          3HG2      THR  48  12.187 -18.927  -1.001
  404    H    LEU  49           H        LEU  49  11.632 -14.782   0.840
  405    HA   LEU  49           HA       LEU  49   8.947 -15.874   0.076
  406   1HB   LEU  49          2HB       LEU  49   8.105 -14.167   1.780
  407   2HB   LEU  49          1HB       LEU  49   8.986 -15.538   2.443
  408    HG   LEU  49           HG       LEU  49  10.567 -13.098   1.740
  409   1HD1  LEU  49          1HD1      LEU  49   9.083 -13.288   4.363
  410   2HD1  LEU  49          2HD1      LEU  49   8.426 -12.398   2.992
  411   3HD1  LEU  49          3HD1      LEU  49   9.964 -11.910   3.704
  412   1HD2  LEU  49          1HD2      LEU  49  11.178 -14.097   4.294
  413   2HD2  LEU  49          2HD2      LEU  49  12.071 -14.400   2.805
  414   3HD2  LEU  49          3HD2      LEU  49  10.816 -15.522   3.323
  415    HA   PRO  50           HA       PRO  50   9.365 -12.536  -2.894
  416   1HB   PRO  50          2HB       PRO  50   7.195 -13.255  -4.399
  417   2HB   PRO  50          1HB       PRO  50   8.766 -14.067  -4.527
  418   1HG   PRO  50          2HG       PRO  50   6.289 -14.941  -3.148
  419   2HG   PRO  50          1HG       PRO  50   7.506 -15.899  -4.003
  420   1HD   PRO  50          2HD       PRO  50   7.326 -15.681  -1.263
  421   2HD   PRO  50          1HD       PRO  50   8.796 -16.139  -2.148
  422    HA   PRO  51           HA       PRO  51   6.305  -9.630  -1.568
  423   1HB   PRO  51          2HB       PRO  51   5.421  -8.429  -3.868
  424   2HB   PRO  51          1HB       PRO  51   7.026  -8.127  -3.175
  425   1HG   PRO  51          2HG       PRO  51   6.248  -9.910  -5.431
  426   2HG   PRO  51          1HG       PRO  51   7.656  -8.847  -5.267
  427   1HD   PRO  51          2HD       PRO  51   7.785 -11.529  -4.888
  428   2HD   PRO  51          1HD       PRO  51   8.838 -10.382  -4.031
  429    H    LEU  52           H        LEU  52   4.287 -10.149  -0.813
  430    HA   LEU  52           HA       LEU  52   2.577 -12.047  -2.256
  431   1HB   LEU  52          2HB       LEU  52   3.008 -11.110   0.407
  432   2HB   LEU  52          1HB       LEU  52   1.313 -10.821   0.014
  433    HG   LEU  52           HG       LEU  52   1.260 -13.225  -0.870
  434   1HD1  LEU  52          1HD1      LEU  52   3.554 -13.774  -1.090
  435   2HD1  LEU  52          2HD1      LEU  52   3.032 -14.660   0.342
  436   3HD1  LEU  52          3HD1      LEU  52   3.942 -13.160   0.517
  437   1HD2  LEU  52          1HD2      LEU  52   1.385 -14.101   1.637
  438   2HD2  LEU  52          2HD2      LEU  52   0.110 -12.989   1.133
  439   3HD2  LEU  52          3HD2      LEU  52   1.524 -12.378   1.993
  440    H    ASN  53           H        ASN  53   2.551  -8.549  -1.578
  441    HA   ASN  53           HA       ASN  53   0.242  -8.301  -3.482
  442   1HB   ASN  53          2HB       ASN  53   0.208  -7.972  -0.679
  443   2HB   ASN  53          1HB       ASN  53   0.162  -6.341  -1.350
  444   1HD2  ASN  53          1HD2      ASN  53  -1.560  -5.973  -3.098
  445   2HD2  ASN  53          2HD2      ASN  53  -3.011  -6.843  -2.974
  446    H    ASN  54           H        ASN  54   0.287  -6.429  -4.774
  447    HA   ASN  54           HA       ASN  54   2.671  -4.629  -4.442
  448   1HB   ASN  54          2HB       ASN  54   2.730  -6.292  -6.346
  449   2HB   ASN  54          1HB       ASN  54   1.301  -5.500  -7.009
  450   1HD2  ASN  54          1HD2      ASN  54   1.800  -3.927  -8.540
  451   2HD2  ASN  54          2HD2      ASN  54   3.232  -3.016  -8.575
  452    H    PHE  55           H        PHE  55   1.937  -2.603  -3.866
  453    HA   PHE  55           HA       PHE  55  -0.663  -1.657  -5.048
  454   1HB   PHE  55          2HB       PHE  55   0.506  -1.644  -2.311
  455   2HB   PHE  55          1HB       PHE  55  -0.372  -0.193  -2.785
  456    HD1  PHE  55           1HD      PHE  55  -2.754  -0.426  -3.658
  457    HD2  PHE  55           2HD      PHE  55  -0.643  -3.641  -1.750
  458    HE1  PHE  55           1HE      PHE  55  -4.903  -1.594  -3.241
  459    HE2  PHE  55           2HE      PHE  55  -2.788  -4.805  -1.332
  460    HZ   PHE  55           HZ       PHE  55  -4.919  -3.782  -2.077
  461    H    SER  56           H        SER  56  -0.526   0.253  -6.192
  462    HA   SER  56           HA       SER  56   1.934   1.936  -5.829
  463   1HB   SER  56          2HB       SER  56   1.670   2.284  -8.365
  464   2HB   SER  56          1HB       SER  56   2.233   0.700  -7.844
  465    HG   SER  56           HG       SER  56  -0.377   1.479  -8.640
  466    H    VAL  57           H        VAL  57   1.459   4.065  -5.426
  467    HA   VAL  57           HA       VAL  57  -1.285   5.055  -6.129
  468    HB   VAL  57           HB       VAL  57  -0.538   4.616  -3.668
  469   1HG1  VAL  57          1HG1      VAL  57   0.797   6.255  -2.606
  470   2HG1  VAL  57          2HG1      VAL  57   0.674   7.365  -3.970
  471   3HG1  VAL  57          3HG1      VAL  57   1.659   5.910  -4.103
  472   1HG2  VAL  57          1HG2      VAL  57  -2.595   5.779  -4.190
  473   2HG2  VAL  57          2HG2      VAL  57  -1.714   7.250  -4.602
  474   3HG2  VAL  57          3HG2      VAL  57  -1.763   6.690  -2.930
  475    H    ALA  58           H        ALA  58   1.600   5.258  -7.443
  476    HA   ALA  58           HA       ALA  58   2.304   8.073  -7.398
  477   1HB   ALA  58          1HB       ALA  58   3.643   7.370  -9.406
  478   2HB   ALA  58          2HB       ALA  58   2.830   5.807  -9.357
  479   3HB   ALA  58          3HB       ALA  58   3.872   6.301  -8.022
  480    H    GLU  59           H        GLU  59   0.608   6.049  -9.832
  481    HA   GLU  59           HA       GLU  59  -0.450   8.526 -11.127
  482   1HB   GLU  59          2HB       GLU  59  -0.191   5.612 -11.922
  483   2HB   GLU  59          1HB       GLU  59  -1.084   6.780 -12.897
  484   1HG   GLU  59          2HG       GLU  59   0.850   8.063 -13.348
  485   2HG   GLU  59          1HG       GLU  59   1.755   7.322 -12.029
  486    H    CYS  60           H        CYS  60  -1.396   6.618  -8.641
  487    HA   CYS  60           HA       CYS  60  -4.298   6.699  -9.402
  488   1HB   CYS  60          2HB       CYS  60  -2.598   4.706  -7.894
  489   2HB   CYS  60          1HB       CYS  60  -4.350   4.735  -7.699
  490    H    GLN  61           H        GLN  61  -5.521   6.390  -7.031
  491    HA   GLN  61           HA       GLN  61  -4.250   8.276  -5.087
  492   1HB   GLN  61          2HB       GLN  61  -6.344   9.549  -4.999
  493   2HB   GLN  61          1HB       GLN  61  -5.760   9.487  -6.659
  494   1HG   GLN  61          2HG       GLN  61  -7.790   8.691  -7.234
  495   2HG   GLN  61          1HG       GLN  61  -7.355   7.200  -6.401
  496   1HE2  GLN  61          1HE2      GLN  61  -8.773   6.620  -4.751
  497   2HE2  GLN  61          2HE2      GLN  61  -9.770   7.698  -3.899
  498    H    LEU  62           H        LEU  62  -5.041   8.039  -2.914
  499    HA   LEU  62           HA       LEU  62  -6.396   5.414  -2.392
  500   1HB   LEU  62          2HB       LEU  62  -4.084   6.808  -1.362
  501   2HB   LEU  62          1HB       LEU  62  -5.234   6.561  -0.051
  502    HG   LEU  62           HG       LEU  62  -3.731   4.647  -0.173
  503   1HD1  LEU  62          1HD1      LEU  62  -6.141   4.254   0.366
  504   2HD1  LEU  62          2HD1      LEU  62  -5.366   2.858  -0.382
  505   3HD1  LEU  62          3HD1      LEU  62  -6.428   3.891  -1.336
  506   1HD2  LEU  62          1HD2      LEU  62  -3.841   3.202  -2.273
  507   2HD2  LEU  62          2HD2      LEU  62  -2.972   4.727  -2.440
  508   3HD2  LEU  62          3HD2      LEU  62  -4.612   4.574  -3.068
  509    H    MET  63           H        MET  63  -8.081   5.370  -0.781
  510    HA   MET  63           HA       MET  63  -9.234   8.039  -0.028
  511   1HB   MET  63          2HB       MET  63 -10.454   7.102  -1.919
  512   2HB   MET  63          1HB       MET  63 -10.581   5.540  -1.112
  513   1HG   MET  63          2HG       MET  63 -12.500   6.212  -0.149
  514   2HG   MET  63          1HG       MET  63 -11.623   7.499   0.676
  515   1HE   MET  63          1HE       MET  63 -12.386  10.633  -0.905
  516   2HE   MET  63          2HE       MET  63 -10.845   9.834  -1.211
  517   3HE   MET  63          3HE       MET  63 -11.633   9.644   0.354
  518    H    LYS  64           H        LYS  64  -9.621   8.166   2.166
  519    HA   LYS  64           HA       LYS  64  -9.159   5.801   3.850
  520   1HB   LYS  64          2HB       LYS  64  -9.327   7.447   5.664
  521   2HB   LYS  64          1HB       LYS  64  -8.334   8.110   4.371
  522   1HG   LYS  64          2HG       LYS  64 -10.330   9.334   3.510
  523   2HG   LYS  64          1HG       LYS  64 -11.265   8.718   4.873
  524   1HD   LYS  64          2HD       LYS  64  -9.740   9.829   6.446
  525   2HD   LYS  64          1HD       LYS  64  -8.762  10.415   5.101
  526   1HE   LYS  64          2HE       LYS  64 -10.504  11.857   4.324
  527   2HE   LYS  64          1HE       LYS  64 -11.712  11.068   5.355
  528   1HZ   LYS  64          1HZ       LYS  64 -10.750  13.200   6.257
  529   2HZ   LYS  64          2HZ       LYS  64  -9.279  12.371   6.447
  530   3HZ   LYS  64          3HZ       LYS  64 -10.662  11.864   7.296
  531    H    THR  65           H        THR  65 -10.751   4.667   4.998
  532    HA   THR  65           HA       THR  65 -13.538   5.658   5.053
  533    HB   THR  65           HB       THR  65 -13.127   4.557   2.821
  534    HG1  THR  65           1HG      THR  65 -15.001   3.304   2.958
  535   1HG2  THR  65          1HG2      THR  65 -11.539   2.850   3.431
  536   2HG2  THR  65          2HG2      THR  65 -13.001   2.039   2.870
  537   3HG2  THR  65          3HG2      THR  65 -12.661   2.149   4.597
  538    H    GLU  66           H        GLU  66 -14.944   3.704   6.031
  539    HA   GLU  66           HA       GLU  66 -13.354   2.386   8.210
  540   1HB   GLU  66          2HB       GLU  66 -15.578   2.871   9.542
  541   2HB   GLU  66          1HB       GLU  66 -14.389   4.152   9.340
  542   1HG   GLU  66          2HG       GLU  66 -16.633   5.012   8.857
  543   2HG   GLU  66          1HG       GLU  66 -15.668   5.007   7.384
  544    H    ARG  67           H        ARG  67 -14.670   1.455   5.548
  545    HA   ARG  67           HA       ARG  67 -16.199  -0.820   6.756
  546   1HB   ARG  67          2HB       ARG  67 -17.024   1.252   4.911
  547   2HB   ARG  67          1HB       ARG  67 -17.139  -0.324   4.128
  548   1HG   ARG  67          2HG       ARG  67 -18.545  -1.184   5.882
  549   2HG   ARG  67          1HG       ARG  67 -18.269   0.244   6.880
  550   1HD   ARG  67          2HD       ARG  67 -19.375   0.740   4.152
  551   2HD   ARG  67          1HD       ARG  67 -20.468  -0.006   5.334
  552    HE   ARG  67           HE       ARG  67 -19.107   2.100   6.660
  553   1HH1  ARG  67          1HH2      ARG  67 -21.384   1.632   4.073
  554   2HH1  ARG  67          2HH2      ARG  67 -22.125   3.179   4.286
  555   1HH2  ARG  67          1HH1      ARG  67 -20.075   4.115   6.925
  556   2HH2  ARG  67          2HH1      ARG  67 -21.388   4.583   5.898
  557    HA   PRO  68           HA       PRO  68 -17.021  -2.655   6.092
  558   1HB   PRO  68          2HB       PRO  68 -16.124  -5.146   6.769
  559   2HB   PRO  68          1HB       PRO  68 -16.875  -4.779   5.204
  560   1HG   PRO  68          2HG       PRO  68 -13.999  -5.089   5.894
  561   2HG   PRO  68          1HG       PRO  68 -14.875  -5.603   4.444
  562   1HD   PRO  68          2HD       PRO  68 -13.296  -3.378   4.552
  563   2HD   PRO  68          1HD       PRO  68 -14.667  -3.564   3.437
  564    H    ARG  69           H        ARG  69 -13.635  -2.620   7.031
  565    HA   ARG  69           HA       ARG  69 -14.423  -2.612   9.926
  566   1HB   ARG  69          2HB       ARG  69 -12.303  -3.841   8.335
  567   2HB   ARG  69          1HB       ARG  69 -11.650  -2.929   9.694
  568   1HG   ARG  69          2HG       ARG  69 -13.576  -4.148  11.034
  569   2HG   ARG  69          1HG       ARG  69 -13.482  -5.306   9.708
  570   1HD   ARG  69          2HD       ARG  69 -11.968  -6.084  11.426
  571   2HD   ARG  69          1HD       ARG  69 -10.961  -5.397  10.141
  572    HE   ARG  69           HE       ARG  69 -11.747  -3.874  12.605
  573   1HH1  ARG  69          1HH2      ARG  69  -9.469  -4.643  10.066
  574   2HH1  ARG  69          2HH2      ARG  69  -8.305  -3.497  10.618
  575   1HH2  ARG  69          1HH1      ARG  69 -10.204  -2.395  13.292
  576   2HH2  ARG  69          2HH1      ARG  69  -8.713  -2.237  12.431
  577    HA   PRO  70           HA       PRO  70 -13.121   1.577  10.245
  578   1HB   PRO  70          2HB       PRO  70 -11.843   1.620  12.672
  579   2HB   PRO  70          1HB       PRO  70 -13.608   1.507  12.502
  580   1HG   PRO  70          2HG       PRO  70 -11.614  -0.654  13.012
  581   2HG   PRO  70          1HG       PRO  70 -13.211  -0.402  13.734
  582   1HD   PRO  70          2HD       PRO  70 -12.782  -2.209  11.773
  583   2HD   PRO  70          1HD       PRO  70 -14.319  -1.333  11.940
  584    H    ASN  71           H        ASN  71 -11.199   2.986  10.243
  585    HA   ASN  71           HA       ASN  71  -9.008   3.521   9.546
  586   1HB   ASN  71          2HB       ASN  71  -8.384   0.896  10.946
  587   2HB   ASN  71          1HB       ASN  71  -7.273   2.239  10.688
  588   1HD2  ASN  71          1HD2      ASN  71  -8.112   4.425  11.689
  589   2HD2  ASN  71          2HD2      ASN  71  -8.883   4.315  13.194
  590    H    THR  72           H        THR  72 -10.226   2.742   7.396
  591    HA   THR  72           HA       THR  72  -8.577   0.554   6.166
  592    HB   THR  72           HB       THR  72 -11.488   1.337   5.897
  593    HG1  THR  72           1HG      THR  72 -11.669  -0.269   7.206
  594   1HG2  THR  72          1HG2      THR  72 -10.905   0.877   3.655
  595   2HG2  THR  72          2HG2      THR  72 -11.504  -0.667   4.261
  596   3HG2  THR  72          3HG2      THR  72  -9.769  -0.387   4.118
  597    H    PHE  73           H        PHE  73  -8.082   0.823   3.910
  598    HA   PHE  73           HA       PHE  73  -8.361   3.620   2.852
  599   1HB   PHE  73          2HB       PHE  73  -6.039   1.913   3.437
  600   2HB   PHE  73          1HB       PHE  73  -6.019   2.565   1.800
  601    HD1  PHE  73           1HD      PHE  73  -4.604   3.179   4.760
  602    HD2  PHE  73           2HD      PHE  73  -7.235   5.181   2.020
  603    HE1  PHE  73           1HE      PHE  73  -3.855   5.370   5.640
  604    HE2  PHE  73           2HE      PHE  73  -6.489   7.373   2.902
  605    HZ   PHE  73           HZ       PHE  73  -4.797   7.464   4.716
  606    H    VAL  74           H        VAL  74  -9.333   3.628   0.863
  607    HA   VAL  74           HA       VAL  74  -9.420   1.067  -0.701
  608    HB   VAL  74           HB       VAL  74 -11.296   3.460  -0.713
  609   1HG1  VAL  74          1HG1      VAL  74 -12.804   1.975  -1.930
  610   2HG1  VAL  74          2HG1      VAL  74 -11.642   0.653  -1.808
  611   3HG1  VAL  74          3HG1      VAL  74 -11.264   2.072  -2.786
  612   1HG2  VAL  74          1HG2      VAL  74 -12.773   2.173   0.685
  613   2HG2  VAL  74          2HG2      VAL  74 -11.193   2.146   1.466
  614   3HG2  VAL  74          3HG2      VAL  74 -11.749   0.743   0.554
  615    H    ILE  75           H        ILE  75  -8.340   1.109  -2.641
  616    HA   ILE  75           HA       ILE  75  -7.657   3.789  -3.809
  617    HB   ILE  75           HB       ILE  75  -5.699   2.597  -3.038
  618   1HG1  ILE  75          2HG1      ILE  75  -5.838   2.054  -6.012
  619   2HG1  ILE  75          1HG1      ILE  75  -5.693   3.683  -5.355
  620   1HG2  ILE  75          1HG2      ILE  75  -6.031   0.357  -2.788
  621   2HG2  ILE  75          2HG2      ILE  75  -5.384   0.274  -4.427
  622   3HG2  ILE  75          3HG2      ILE  75  -7.126   0.260  -4.165
  623   1HD1  ILE  75          1HD1      ILE  75  -3.784   1.812  -4.160
  624   2HD1  ILE  75          2HD1      ILE  75  -3.502   3.401  -4.869
  625   3HD1  ILE  75          3HD1      ILE  75  -3.578   1.976  -5.903
  626    H    ARG  76           H        ARG  76  -9.003   4.186  -5.510
  627    HA   ARG  76           HA       ARG  76 -10.250   2.019  -7.056
  628   1HB   ARG  76          2HB       ARG  76 -10.406   4.978  -6.784
  629   2HB   ARG  76          1HB       ARG  76 -10.883   4.317  -8.349
  630   1HG   ARG  76          2HG       ARG  76 -11.978   2.758  -6.143
  631   2HG   ARG  76          1HG       ARG  76 -12.477   4.448  -6.060
  632   1HD   ARG  76          2HD       ARG  76 -13.610   4.355  -8.105
  633   2HD   ARG  76          1HD       ARG  76 -12.613   3.017  -8.706
  634    HE   ARG  76           HE       ARG  76 -13.928   1.486  -7.435
  635   1HH1  ARG  76          1HH2      ARG  76 -14.768   4.799  -6.775
  636   2HH1  ARG  76          2HH2      ARG  76 -16.198   4.383  -5.898
  637   1HH2  ARG  76          1HH1      ARG  76 -15.788   0.960  -6.286
  638   2HH2  ARG  76          2HH1      ARG  76 -16.773   2.216  -5.617
  639    H    CYS  77           H        CYS  77  -7.634   4.364  -7.493
  640    HA   CYS  77           HA       CYS  77  -5.882   4.431  -9.055
  641   1HB   CYS  77          2HB       CYS  77  -6.778   1.727  -8.931
  642   2HB   CYS  77          1HB       CYS  77  -6.472   2.101 -10.625
  643    H    LEU  78           H        LEU  78  -8.565   2.894 -10.912
  644    HA   LEU  78           HA       LEU  78  -8.440   5.252 -12.771
  645   1HB   LEU  78          2HB       LEU  78  -8.643   2.274 -13.211
  646   2HB   LEU  78          1HB       LEU  78  -9.201   3.399 -14.447
  647    HG   LEU  78           HG       LEU  78  -6.765   4.476 -13.817
  648   1HD1  LEU  78          1HD1      LEU  78  -5.272   2.337 -13.973
  649   2HD1  LEU  78          2HD1      LEU  78  -6.688   1.506 -13.329
  650   3HD1  LEU  78          3HD1      LEU  78  -5.928   2.800 -12.403
  651   1HD2  LEU  78          1HD2      LEU  78  -7.617   4.049 -16.078
  652   2HD2  LEU  78          2HD2      LEU  78  -7.383   2.314 -15.858
  653   3HD2  LEU  78          3HD2      LEU  78  -5.988   3.392 -15.919
  654    H    GLN  79           H        GLN  79 -10.684   2.472 -12.561
  655    HA   GLN  79           HA       GLN  79 -12.893   4.236 -11.664
  656   1HB   GLN  79          2HB       GLN  79 -14.198   3.708 -13.716
  657   2HB   GLN  79          1HB       GLN  79 -12.707   4.560 -14.105
  658   1HG   GLN  79          2HG       GLN  79 -11.774   2.741 -15.144
  659   2HG   GLN  79          1HG       GLN  79 -12.533   1.591 -14.044
  660   1HE2  GLN  79          1HE2      GLN  79 -12.728   2.917 -17.199
  661   2HE2  GLN  79          2HE2      GLN  79 -14.277   2.343 -17.594
  662    H    TRP  80           H        TRP  80 -14.757   2.089 -12.890
  663    HA   TRP  80           HA       TRP  80 -14.779   0.313 -10.567
  664   1HB   TRP  80          2HB       TRP  80 -16.757   1.285 -11.854
  665   2HB   TRP  80          1HB       TRP  80 -16.370   0.150 -13.146
  666    HD1  TRP  80           HD       TRP  80 -17.840   0.350  -9.661
  667    HE1  TRP  80           1HE      TRP  80 -18.848  -1.939  -9.032
  668    HE3  TRP  80           3HE      TRP  80 -16.117  -2.472 -13.554
  669    HZ2  TRP  80           2HZ      TRP  80 -18.911  -4.614 -10.046
  670    HZ3  TRP  80           3HZ      TRP  80 -16.666  -4.884 -13.697
  671    HH2  TRP  80           HH       TRP  80 -18.059  -5.957 -11.950
  672    H    THR  81           H        THR  81 -13.570  -1.536 -10.450
  673    HA   THR  81           HA       THR  81 -12.733  -2.866 -13.011
  674    HB   THR  81           HB       THR  81 -11.247  -3.265 -10.443
  675    HG1  THR  81           1HG      THR  81 -10.786  -1.243 -10.237
  676   1HG2  THR  81          1HG2      THR  81  -9.669  -4.003 -11.865
  677   2HG2  THR  81          2HG2      THR  81  -9.734  -2.510 -12.801
  678   3HG2  THR  81          3HG2      THR  81 -10.851  -3.827 -13.161
  679    H    THR  82           H        THR  82 -11.830  -5.266 -11.999
  680    HA   THR  82           HA       THR  82 -14.286  -6.726 -11.465
  681    HB   THR  82           HB       THR  82 -12.629  -8.640 -11.350
  682    HG1  THR  82           1HG      THR  82 -10.479  -8.154 -11.654
  683   1HG2  THR  82          1HG2      THR  82 -13.599  -7.629 -13.498
  684   2HG2  THR  82          2HG2      THR  82 -12.122  -8.577 -13.672
  685   3HG2  THR  82          3HG2      THR  82 -12.046  -6.815 -13.685
  686    H    VAL  83           H        VAL  83 -13.615  -8.640  -9.587
  687    HA   VAL  83           HA       VAL  83 -13.836  -7.143  -7.060
  688    HB   VAL  83           HB       VAL  83 -13.725 -10.133  -7.624
  689   1HG1  VAL  83          1HG1      VAL  83 -13.454  -9.875  -5.301
  690   2HG1  VAL  83          2HG1      VAL  83 -15.200 -10.049  -5.470
  691   3HG1  VAL  83          3HG1      VAL  83 -14.492  -8.450  -5.243
  692   1HG2  VAL  83          1HG2      VAL  83 -16.341  -9.615  -7.181
  693   2HG2  VAL  83          2HG2      VAL  83 -15.634  -9.604  -8.796
  694   3HG2  VAL  83          3HG2      VAL  83 -15.873  -8.088  -7.928
  695    H    ILE  84           H        ILE  84 -11.458  -6.358  -7.738
  696    HA   ILE  84           HA       ILE  84  -9.342  -8.269  -6.922
  697    HB   ILE  84           HB       ILE  84  -9.375  -6.604  -8.926
  698   1HG1  ILE  84          2HG1      ILE  84  -6.922  -6.298  -7.211
  699   2HG1  ILE  84          1HG1      ILE  84  -7.374  -7.893  -7.815
  700   1HG2  ILE  84          1HG2      ILE  84 -10.026  -4.707  -7.249
  701   2HG2  ILE  84          2HG2      ILE  84  -8.872  -4.348  -8.532
  702   3HG2  ILE  84          3HG2      ILE  84  -8.300  -4.660  -6.893
  703   1HD1  ILE  84          1HD1      ILE  84  -5.826  -6.803  -9.380
  704   2HD1  ILE  84          2HD1      ILE  84  -6.911  -5.418  -9.509
  705   3HD1  ILE  84          3HD1      ILE  84  -7.413  -6.993 -10.125
  706    H    GLU  85           H        GLU  85  -7.572  -7.184  -5.444
  707    HA   GLU  85           HA       GLU  85  -8.866  -6.412  -2.930
  708   1HB   GLU  85          2HB       GLU  85  -6.532  -6.565  -2.084
  709   2HB   GLU  85          1HB       GLU  85  -6.976  -7.986  -3.026
  710   1HG   GLU  85          2HG       GLU  85  -5.933  -6.159  -4.900
  711   2HG   GLU  85          1HG       GLU  85  -4.857  -6.062  -3.508
  712    H    ARG  86           H        ARG  86  -9.725  -4.342  -4.023
  713    HA   ARG  86           HA       ARG  86  -7.775  -2.172  -4.436
  714   1HB   ARG  86          2HB       ARG  86  -9.847  -0.888  -4.944
  715   2HB   ARG  86          1HB       ARG  86  -9.770  -2.401  -5.840
  716   1HG   ARG  86          2HG       ARG  86 -11.328  -3.461  -4.324
  717   2HG   ARG  86          1HG       ARG  86 -11.272  -2.083  -3.225
  718   1HD   ARG  86          2HD       ARG  86 -12.788  -0.913  -4.452
  719   2HD   ARG  86          1HD       ARG  86 -11.999  -1.336  -5.981
  720    HE   ARG  86           HE       ARG  86 -14.139  -2.870  -4.658
  721   1HH1  ARG  86          1HH2      ARG  86 -11.513  -2.911  -6.952
  722   2HH1  ARG  86          2HH2      ARG  86 -12.214  -4.173  -7.906
  723   1HH2  ARG  86          1HH1      ARG  86 -15.018  -4.536  -5.910
  724   2HH2  ARG  86          2HH1      ARG  86 -14.175  -5.090  -7.318
  725    H    THR  87           H        THR  87  -9.612  -3.426  -1.762
  726    HA   THR  87           HA       THR  87  -9.213  -0.872  -0.239
  727    HB   THR  87           HB       THR  87 -11.040  -3.243   0.285
  728    HG1  THR  87           1HG      THR  87 -12.160  -2.343  -1.233
  729   1HG2  THR  87          1HG2      THR  87 -12.184  -1.476   1.753
  730   2HG2  THR  87          2HG2      THR  87 -10.698  -0.540   1.589
  731   3HG2  THR  87          3HG2      THR  87 -10.659  -2.130   2.349
  732    H    PHE  88           H        PHE  88  -7.700  -0.902   1.371
  733    HA   PHE  88           HA       PHE  88  -6.895  -3.547   2.521
  734   1HB   PHE  88          2HB       PHE  88  -4.692  -3.153   2.011
  735   2HB   PHE  88          1HB       PHE  88  -5.393  -2.152   0.748
  736    HD1  PHE  88           1HD      PHE  88  -4.800   0.111   0.603
  737    HD2  PHE  88           2HD      PHE  88  -4.239  -1.980   4.315
  738    HE1  PHE  88           1HE      PHE  88  -3.624   2.083   1.541
  739    HE2  PHE  88           2HE      PHE  88  -3.076  -0.006   5.249
  740    HZ   PHE  88           HZ       PHE  88  -2.759   2.020   3.868
  741    H    HIS  89           H        HIS  89  -6.599  -3.535   4.756
  742    HA   HIS  89           HA       HIS  89  -7.473  -1.055   6.181
  743   1HB   HIS  89          2HB       HIS  89  -7.333  -3.994   6.925
  744   2HB   HIS  89          1HB       HIS  89  -7.870  -2.731   8.028
  745    HD1  HIS  89           1HD      HIS  89 -10.189  -4.162   7.924
  746    HD2  HIS  89           2HD      HIS  89  -9.156  -2.082   4.467
  747    HE1  HIS  89           1HE      HIS  89 -12.288  -4.019   6.518
  748    H    VAL  90           H        VAL  90  -6.335  -0.459   8.179
  749    HA   VAL  90           HA       VAL  90  -3.432  -1.222   8.113
  750    HB   VAL  90           HB       VAL  90  -3.158   0.929   9.383
  751   1HG1  VAL  90          1HG1      VAL  90  -2.804   1.134   7.062
  752   2HG1  VAL  90          2HG1      VAL  90  -3.972   2.403   7.419
  753   3HG1  VAL  90          3HG1      VAL  90  -4.509   0.891   6.688
  754   1HG2  VAL  90          1HG2      VAL  90  -5.845   0.656   9.934
  755   2HG2  VAL  90          2HG2      VAL  90  -5.855   1.880   8.666
  756   3HG2  VAL  90          3HG2      VAL  90  -4.924   2.144  10.140
  757    H    ASP  91           H        ASP  91  -2.395  -1.670  10.194
  758    HA   ASP  91           HA       ASP  91  -4.084  -3.192  12.015
  759   1HB   ASP  91          2HB       ASP  91  -1.340  -2.939  11.334
  760   2HB   ASP  91          1HB       ASP  91  -1.462  -2.601  13.061
  761    H    SER  92           H        SER  92  -3.003   0.132  11.928
  762    HA   SER  92           HA       SER  92  -4.299   0.587  14.584
  763   1HB   SER  92          2HB       SER  92  -1.712   0.271  14.574
  764   2HB   SER  92          1HB       SER  92  -1.668   1.858  13.811
  765    HG   SER  92           HG       SER  92  -1.627   2.341  15.913
  766    HA   PRO  93           HA       PRO  93  -6.041   4.082  12.500
  767   1HB   PRO  93          2HB       PRO  93  -6.323   5.834  14.600
  768   2HB   PRO  93          1HB       PRO  93  -7.389   4.436  14.352
  769   1HG   PRO  93          2HG       PRO  93  -5.040   4.718  16.171
  770   2HG   PRO  93          1HG       PRO  93  -6.618   3.971  16.476
  771   1HD   PRO  93          2HD       PRO  93  -4.434   2.500  15.925
  772   2HD   PRO  93          1HD       PRO  93  -6.056   2.014  15.384
  773    H    ASP  94           H        ASP  94  -3.333   4.687  14.743
  774    HA   ASP  94           HA       ASP  94  -2.497   7.217  13.670
  775   1HB   ASP  94          2HB       ASP  94  -1.367   4.997  15.329
  776   2HB   ASP  94          1HB       ASP  94  -0.221   6.145  14.639
  777    H    GLU  95           H        GLU  95  -1.777   3.840  12.799
  778    HA   GLU  95           HA       GLU  95   0.297   4.310  10.882
  779   1HB   GLU  95          2HB       GLU  95  -1.464   2.182  11.793
  780   2HB   GLU  95          1HB       GLU  95  -1.280   2.119  10.042
  781   1HG   GLU  95          2HG       GLU  95   0.624   0.967  10.534
  782   2HG   GLU  95          1HG       GLU  95   1.298   2.575  10.794
  783    H    ARG  96           H        ARG  96  -3.253   4.033  10.485
  784    HA   ARG  96           HA       ARG  96  -3.434   4.422   7.685
  785   1HB   ARG  96          2HB       ARG  96  -5.250   3.733   9.234
  786   2HB   ARG  96          1HB       ARG  96  -5.264   5.351   9.930
  787   1HG   ARG  96          2HG       ARG  96  -5.469   5.459   7.035
  788   2HG   ARG  96          1HG       ARG  96  -6.754   4.470   7.725
  789   1HD   ARG  96          2HD       ARG  96  -6.822   6.552   9.460
  790   2HD   ARG  96          1HD       ARG  96  -6.267   7.388   8.002
  791    HE   ARG  96           HE       ARG  96  -8.245   6.606   6.831
  792   1HH1  ARG  96          1HH2      ARG  96  -8.181   5.857  10.234
  793   2HH1  ARG  96          2HH2      ARG  96  -9.862   5.465  10.292
  794   1HH2  ARG  96          1HH1      ARG  96 -10.431   6.101   6.936
  795   2HH2  ARG  96          2HH1      ARG  96 -11.128   5.580   8.433
  796    H    GLU  97           H        GLU  97  -3.143   6.814  10.318
  797    HA   GLU  97           HA       GLU  97  -3.471   9.152   8.640
  798   1HB   GLU  97          2HB       GLU  97  -2.908   8.444  11.405
  799   2HB   GLU  97          1HB       GLU  97  -1.888   9.788  10.887
  800   1HG   GLU  97          2HG       GLU  97  -3.918  10.757  11.728
  801   2HG   GLU  97          1HG       GLU  97  -3.987  10.888   9.971
  802    H    GLU  98           H        GLU  98  -0.638   7.262   9.725
  803    HA   GLU  98           HA       GLU  98   1.365   9.046   8.647
  804   1HB   GLU  98          2HB       GLU  98   1.581   7.188  10.399
  805   2HB   GLU  98          1HB       GLU  98   1.572   6.050   9.050
  806   1HG   GLU  98          2HG       GLU  98   3.497   7.347   8.050
  807   2HG   GLU  98          1HG       GLU  98   3.572   8.275   9.547
  808    H    TRP  99           H        TRP  99  -0.268   6.132   7.340
  809    HA   TRP  99           HA       TRP  99   1.204   5.928   4.893
  810   1HB   TRP  99          2HB       TRP  99  -1.699   5.283   5.528
  811   2HB   TRP  99          1HB       TRP  99  -0.814   4.674   4.133
  812    HD1  TRP  99           HD       TRP  99  -1.968   3.364   7.136
  813    HE1  TRP  99           1HE      TRP  99  -0.430   1.577   8.166
  814    HE3  TRP  99           3HE      TRP  99   2.347   4.314   4.563
  815    HZ2  TRP  99           2HZ      TRP  99   2.257   0.662   7.929
  816    HZ3  TRP  99           3HZ      TRP  99   4.380   2.959   4.993
  817    HH2  TRP  99           HH       TRP  99   4.338   1.139   6.670
  818    H    MET 100           H        MET 100  -1.778   7.741   5.702
  819    HA   MET 100           HA       MET 100  -2.347   8.787   3.111
  820   1HB   MET 100          2HB       MET 100  -3.662   8.805   5.358
  821   2HB   MET 100          1HB       MET 100  -2.755  10.276   5.710
  822   1HG   MET 100          2HG       MET 100  -3.923  10.242   3.012
  823   2HG   MET 100          1HG       MET 100  -5.126  10.177   4.299
  824   1HE   MET 100          1HE       MET 100  -5.868  11.825   5.635
  825   2HE   MET 100          2HE       MET 100  -5.142  13.380   6.037
  826   3HE   MET 100          3HE       MET 100  -4.437  11.895   6.673
  827    H    ARG 101           H        ARG 101  -0.446  10.225   5.793
  828    HA   ARG 101           HA       ARG 101   0.361  12.594   4.381
  829   1HB   ARG 101          2HB       ARG 101   0.409  12.043   6.886
  830   2HB   ARG 101          1HB       ARG 101   1.882  11.131   6.558
  831   1HG   ARG 101          2HG       ARG 101   2.403  13.435   7.294
  832   2HG   ARG 101          1HG       ARG 101   2.950  13.150   5.642
  833   1HD   ARG 101          2HD       ARG 101   1.595  14.780   4.833
  834   2HD   ARG 101          1HD       ARG 101   0.192  14.137   5.708
  835    HE   ARG 101           HE       ARG 101   2.065  16.184   6.707
  836   1HH1  ARG 101          1HH2      ARG 101  -0.413  13.846   7.440
  837   2HH1  ARG 101          2HH2      ARG 101  -0.850  14.605   8.929
  838   1HH2  ARG 101          1HH1      ARG 101   1.481  17.158   8.653
  839   2HH2  ARG 101          2HH1      ARG 101   0.217  16.471   9.615
  840    H    ALA 102           H        ALA 102   1.813   9.354   4.675
  841    HA   ALA 102           HA       ALA 102   4.300   9.951   3.345
  842   1HB   ALA 102          1HB       ALA 102   4.404   7.477   3.172
  843   2HB   ALA 102          2HB       ALA 102   2.697   7.383   3.604
  844   3HB   ALA 102          3HB       ALA 102   3.872   7.982   4.776
  845    H    ILE 103           H        ILE 103   1.158   8.699   2.175
  846    HA   ILE 103           HA       ILE 103   1.867   8.233  -0.547
  847    HB   ILE 103           HB       ILE 103  -0.689   9.047   0.871
  848   1HG1  ILE 103          2HG1      ILE 103  -0.082   6.415  -0.468
  849   2HG1  ILE 103          1HG1      ILE 103   0.527   6.747   1.153
  850   1HG2  ILE 103          1HG2      ILE 103  -1.230   9.746  -1.284
  851   2HG2  ILE 103          2HG2      ILE 103  -1.696   8.048  -1.356
  852   3HG2  ILE 103          3HG2      ILE 103  -0.160   8.570  -2.047
  853   1HD1  ILE 103          1HD1      ILE 103  -1.509   5.852   1.740
  854   2HD1  ILE 103          2HD1      ILE 103  -2.277   6.339   0.229
  855   3HD1  ILE 103          3HD1      ILE 103  -2.021   7.524   1.510
  856    H    GLN 104           H        GLN 104   0.540  11.164   1.028
  857    HA   GLN 104           HA       GLN 104   0.539  12.806  -1.342
  858   1HB   GLN 104          2HB       GLN 104  -0.096  12.965   1.462
  859   2HB   GLN 104          1HB       GLN 104   0.867  14.373   1.021
  860   1HG   GLN 104          2HG       GLN 104  -1.373  13.539  -0.789
  861   2HG   GLN 104          1HG       GLN 104  -1.761  14.397   0.702
  862   1HE2  GLN 104          1HE2      GLN 104  -0.654  14.811  -2.538
  863   2HE2  GLN 104          2HE2      GLN 104  -0.226  16.449  -2.418
  864    H    MET 105           H        MET 105   2.890  12.479   1.356
  865    HA   MET 105           HA       MET 105   4.740  14.463   0.523
  866   1HB   MET 105          2HB       MET 105   4.608  13.111   2.686
  867   2HB   MET 105          1HB       MET 105   5.410  11.806   1.813
  868   1HG   MET 105          2HG       MET 105   7.170  12.998   2.876
  869   2HG   MET 105          1HG       MET 105   7.206  13.540   1.198
  870   1HE   MET 105          1HE       MET 105   6.653  15.522   0.297
  871   2HE   MET 105          2HE       MET 105   8.067  16.087   1.184
  872   3HE   MET 105          3HE       MET 105   6.613  17.080   1.133
  873    H    VAL 106           H        VAL 106   4.689  10.960  -0.285
  874    HA   VAL 106           HA       VAL 106   7.002  11.125  -2.034
  875    HB   VAL 106           HB       VAL 106   4.731   9.123  -1.744
  876   1HG1  VAL 106          1HG1      VAL 106   5.578   8.609  -3.862
  877   2HG1  VAL 106          2HG1      VAL 106   6.592   7.613  -2.818
  878   3HG1  VAL 106          3HG1      VAL 106   7.208   9.140  -3.450
  879   1HG2  VAL 106          1HG2      VAL 106   7.490   8.451  -0.920
  880   2HG2  VAL 106          2HG2      VAL 106   5.963   8.152  -0.088
  881   3HG2  VAL 106          3HG2      VAL 106   6.736   9.733   0.028
  882    H    ALA 107           H        ALA 107   3.462  11.067  -2.618
  883    HA   ALA 107           HA       ALA 107   3.500  11.166  -5.460
  884   1HB   ALA 107          1HB       ALA 107   1.591  12.338  -3.411
  885   2HB   ALA 107          2HB       ALA 107   1.499  10.734  -4.141
  886   3HB   ALA 107          3HB       ALA 107   1.219  12.169  -5.128
  887    H    ASN 108           H        ASN 108   3.890  13.771  -3.064
  888    HA   ASN 108           HA       ASN 108   3.611  15.990  -4.865
  889   1HB   ASN 108          2HB       ASN 108   4.991  15.499  -2.225
  890   2HB   ASN 108          1HB       ASN 108   5.072  17.075  -3.010
  891   1HD2  ASN 108          1HD2      ASN 108   3.619  16.258  -0.473
  892   2HD2  ASN 108          2HD2      ASN 108   2.003  16.705  -0.730
  893    H    SER 109           H        SER 109   6.222  13.706  -4.372
  894    HA   SER 109           HA       SER 109   8.235  15.445  -5.662
  895   1HB   SER 109          2HB       SER 109   8.176  13.258  -3.853
  896   2HB   SER 109          1HB       SER 109   9.026  12.697  -5.291
  897    HG   SER 109           HG       SER 109  10.632  13.755  -4.431
  898    H    LEU 110           H        LEU 110   6.417  12.440  -6.425
  899    HA   LEU 110           HA       LEU 110   7.476  12.646  -9.230
  900   1HB   LEU 110          2HB       LEU 110   7.321  10.254  -9.309
  901   2HB   LEU 110          1HB       LEU 110   8.060  10.653  -7.761
  902    HG   LEU 110           HG       LEU 110   5.152  10.587  -7.544
  903   1HD1  LEU 110          1HD1      LEU 110   4.962   8.109  -7.822
  904   2HD1  LEU 110          2HD1      LEU 110   6.574   8.099  -8.538
  905   3HD1  LEU 110          3HD1      LEU 110   5.257   8.952  -9.344
  906   1HD2  LEU 110          1HD2      LEU 110   5.647   9.463  -5.561
  907   2HD2  LEU 110          2HD2      LEU 110   7.143  10.361  -5.822
  908   3HD2  LEU 110          3HD2      LEU 110   7.054   8.653  -6.251
  909    H    LYS 111           H        LYS 111   4.953  13.905  -7.953
  910    HA   LYS 111           HA       LYS 111   2.698  14.252  -8.547
  911   1HB   LYS 111          2HB       LYS 111   4.136  13.409 -11.059
  912   2HB   LYS 111          1HB       LYS 111   2.416  13.785 -11.113
  913   1HG   LYS 111          2HG       LYS 111   4.128  15.738  -9.673
  914   2HG   LYS 111          1HG       LYS 111   4.345  15.661 -11.422
  915   1HD   LYS 111          2HD       LYS 111   2.311  16.583 -11.836
  916   2HD   LYS 111          1HD       LYS 111   1.524  15.637 -10.572
  917   1HE   LYS 111          2HE       LYS 111   2.666  17.189  -8.881
  918   2HE   LYS 111          1HE       LYS 111   3.059  18.233 -10.261
  919   1HZ   LYS 111          1HZ       LYS 111   0.341  17.269  -9.525
  920   2HZ   LYS 111          2HZ       LYS 111   0.711  18.227 -10.880
  921   3HZ   LYS 111          3HZ       LYS 111   0.920  18.850  -9.313
  Start of MODEL   13
    1   1H    MET   1          1H        MET   1  20.887   9.613  -8.938
    2   2H    MET   1          2H        MET   1  21.855  10.309 -10.147
    3   3H    MET   1          3H        MET   1  21.729   8.619 -10.025
    4    HA   MET   1           HA       MET   1  19.637  10.540 -10.905
    5   1HB   MET   1          2HB       MET   1  21.675   9.111 -12.180
    6   2HB   MET   1          1HB       MET   1  20.232   8.139 -12.464
    7   1HG   MET   1          2HG       MET   1  20.227   9.668 -14.259
    8   2HG   MET   1          1HG       MET   1  19.099  10.382 -13.106
    9   1HE   MET   1          1HE       MET   1  19.617  12.629 -11.675
   10   2HE   MET   1          2HE       MET   1  18.964  12.575 -13.311
   11   3HE   MET   1          3HE       MET   1  20.182  13.778 -12.895
   12    H    ASN   2           H        ASN   2  20.273   7.058 -10.253
   13    HA   ASN   2           HA       ASN   2  17.341   6.729  -9.691
   14   1HB   ASN   2          2HB       ASN   2  19.484   4.888 -10.787
   15   2HB   ASN   2          1HB       ASN   2  17.901   4.302 -10.274
   16   1HD2  ASN   2          1HD2      ASN   2  19.617   5.928 -12.838
   17   2HD2  ASN   2          2HD2      ASN   2  18.274   6.199 -13.838
   18    H    GLU   3           H        GLU   3  17.131   6.826  -7.467
   19    HA   GLU   3           HA       GLU   3  18.539   4.814  -5.836
   20   1HB   GLU   3          2HB       GLU   3  19.447   6.585  -4.302
   21   2HB   GLU   3          1HB       GLU   3  20.162   6.635  -5.911
   22   1HG   GLU   3          2HG       GLU   3  17.867   8.274  -6.051
   23   2HG   GLU   3          1HG       GLU   3  18.655   8.684  -4.527
   24    H    VAL   4           H        VAL   4  15.960   4.561  -6.108
   25    HA   VAL   4           HA       VAL   4  14.292   6.249  -4.420
   26    HB   VAL   4           HB       VAL   4  13.985   3.568  -5.797
   27   1HG1  VAL   4          1HG1      VAL   4  12.523   3.441  -3.887
   28   2HG1  VAL   4          2HG1      VAL   4  11.521   3.851  -5.278
   29   3HG1  VAL   4          3HG1      VAL   4  11.978   5.103  -4.123
   30   1HG2  VAL   4          1HG2      VAL   4  12.690   4.782  -7.386
   31   2HG2  VAL   4          2HG2      VAL   4  14.087   5.808  -7.064
   32   3HG2  VAL   4          3HG2      VAL   4  12.533   6.172  -6.312
   33    H    SER   5           H        SER   5  13.835   5.988  -2.259
   34    HA   SER   5           HA       SER   5  14.987   3.594  -0.853
   35   1HB   SER   5          2HB       SER   5  15.197   5.174   1.058
   36   2HB   SER   5          1HB       SER   5  16.063   5.758  -0.359
   37    HG   SER   5           HG       SER   5  14.509   7.213   0.880
   38    H    VAL   6           H        VAL   6  13.728   3.330   1.385
   39    HA   VAL   6           HA       VAL   6  10.866   3.029   0.703
   40    HB   VAL   6           HB       VAL   6  12.620   2.219   3.042
   41   1HG1  VAL   6          1HG1      VAL   6  10.563   0.826   3.681
   42   2HG1  VAL   6          2HG1      VAL   6   9.643   1.880   2.608
   43   3HG1  VAL   6          3HG1      VAL   6  10.463   2.555   4.016
   44   1HG2  VAL   6          1HG2      VAL   6  13.032   0.867   1.110
   45   2HG2  VAL   6          2HG2      VAL   6  11.313   0.774   0.725
   46   3HG2  VAL   6          3HG2      VAL   6  11.949  -0.077   2.133
   47    H    ILE   7           H        ILE   7   9.390   4.574   1.245
   48    HA   ILE   7           HA       ILE   7  10.133   6.859   2.926
   49    HB   ILE   7           HB       ILE   7   7.615   5.964   1.488
   50   1HG1  ILE   7          2HG1      ILE   7   9.356   6.608  -0.044
   51   2HG1  ILE   7          1HG1      ILE   7   8.223   7.954   0.037
   52   1HG2  ILE   7          1HG2      ILE   7   6.869   8.355   1.877
   53   2HG2  ILE   7          2HG2      ILE   7   8.171   8.491   3.058
   54   3HG2  ILE   7          3HG2      ILE   7   6.866   7.333   3.314
   55   1HD1  ILE   7          1HD1      ILE   7   9.871   8.715   2.008
   56   2HD1  ILE   7          2HD1      ILE   7  10.190   9.123   0.323
   57   3HD1  ILE   7          3HD1      ILE   7  11.017   7.757   1.070
   58    H    LYS   8           H        LYS   8   7.769   4.169   3.154
   59    HA   LYS   8           HA       LYS   8   7.925   4.326   6.116
   60   1HB   LYS   8          2HB       LYS   8   5.868   5.531   4.522
   61   2HB   LYS   8          1HB       LYS   8   5.158   4.172   5.391
   62   1HG   LYS   8          2HG       LYS   8   4.950   5.759   7.042
   63   2HG   LYS   8          1HG       LYS   8   6.593   5.231   7.402
   64   1HD   LYS   8          2HD       LYS   8   7.389   7.285   6.941
   65   2HD   LYS   8          1HD       LYS   8   6.688   7.220   5.325
   66   1HE   LYS   8          2HE       LYS   8   5.499   9.031   6.164
   67   2HE   LYS   8          1HE       LYS   8   4.436   7.728   6.731
   68   1HZ   LYS   8          1HZ       LYS   8   5.082   9.232   8.544
   69   2HZ   LYS   8          2HZ       LYS   8   6.721   8.864   8.269
   70   3HZ   LYS   8          3HZ       LYS   8   5.652   7.655   8.805
   71    H    GLU   9           H        GLU   9   7.633   2.313   7.033
   72    HA   GLU   9           HA       GLU   9   6.492   0.123   5.338
   73   1HB   GLU   9          2HB       GLU   9   8.367  -1.289   6.413
   74   2HB   GLU   9          1HB       GLU   9   8.853  -0.145   5.164
   75   1HG   GLU   9          2HG       GLU   9   9.393   1.511   6.978
   76   2HG   GLU   9          1HG       GLU   9   9.066   0.248   8.164
   77    H    GLY  10           H        GLY  10   5.050  -1.158   6.459
   78   1HA   GLY  10          2HA       GLY  10   5.181  -1.553   9.328
   79   2HA   GLY  10          1HA       GLY  10   3.918  -0.405   8.890
   80    H    TRP  11           H        TRP  11   3.091  -2.698  10.090
   81    HA   TRP  11           HA       TRP  11   2.415  -4.768   8.111
   82   1HB   TRP  11          2HB       TRP  11   1.895  -4.233  11.034
   83   2HB   TRP  11          1HB       TRP  11   1.053  -5.540  10.204
   84    HD1  TRP  11           HD       TRP  11   4.551  -4.417  11.265
   85    HE1  TRP  11           1HE      TRP  11   6.128  -6.453  11.190
   86    HE3  TRP  11           3HE      TRP  11   1.445  -7.862   9.128
   87    HZ2  TRP  11           2HZ      TRP  11   6.079  -9.182  10.340
   88    HZ3  TRP  11           3HZ      TRP  11   2.239 -10.171   8.695
   89    HH2  TRP  11           HH       TRP  11   4.553 -10.831   9.298
   90    H    LEU  12           H        LEU  12   0.430  -4.995   7.086
   91    HA   LEU  12           HA       LEU  12  -1.752  -3.050   7.776
   92   1HB   LEU  12          2HB       LEU  12  -0.478  -3.774   5.133
   93   2HB   LEU  12          1HB       LEU  12  -2.105  -3.101   5.200
   94    HG   LEU  12           HG       LEU  12   0.396  -1.810   6.336
   95   1HD1  LEU  12          1HD1      LEU  12   0.285  -1.728   3.880
   96   2HD1  LEU  12          2HD1      LEU  12  -0.005  -0.128   4.562
   97   3HD1  LEU  12          3HD1      LEU  12  -1.356  -1.090   3.966
   98   1HD2  LEU  12          1HD2      LEU  12  -1.193  -0.888   7.713
   99   2HD2  LEU  12          2HD2      LEU  12  -2.516  -1.264   6.614
  100   3HD2  LEU  12          3HD2      LEU  12  -1.489   0.136   6.309
  101    H    HIS  13           H        HIS  13  -3.917  -3.851   7.223
  102    HA   HIS  13           HA       HIS  13  -4.079  -6.821   7.308
  103   1HB   HIS  13          2HB       HIS  13  -5.738  -4.481   8.112
  104   2HB   HIS  13          1HB       HIS  13  -6.610  -5.942   7.648
  105    HD1  HIS  13           1HD      HIS  13  -6.815  -7.699   9.418
  106    HD2  HIS  13           2HD      HIS  13  -3.670  -5.079  10.206
  107    HE1  HIS  13           1HE      HIS  13  -5.875  -8.365  11.672
  108    H    LYS  14           H        LYS  14  -4.449  -7.898   5.441
  109    HA   LYS  14           HA       LYS  14  -5.812  -6.478   3.174
  110   1HB   LYS  14          2HB       LYS  14  -3.353  -7.533   3.193
  111   2HB   LYS  14          1HB       LYS  14  -4.247  -9.017   2.858
  112   1HG   LYS  14          2HG       LYS  14  -5.220  -6.802   1.234
  113   2HG   LYS  14          1HG       LYS  14  -3.497  -7.073   0.983
  114   1HD   LYS  14          2HD       LYS  14  -3.813  -9.214   0.142
  115   2HD   LYS  14          1HD       LYS  14  -5.319  -9.453   1.028
  116   1HE   LYS  14          2HE       LYS  14  -6.598  -8.352  -0.570
  117   2HE   LYS  14          1HE       LYS  14  -5.255  -7.311  -1.076
  118   1HZ   LYS  14          1HZ       LYS  14  -5.871  -9.204  -2.632
  119   2HZ   LYS  14          2HZ       LYS  14  -5.200 -10.250  -1.478
  120   3HZ   LYS  14          3HZ       LYS  14  -4.232  -9.067  -2.224
  121    H    ARG  15           H        ARG  15  -7.648  -7.460   2.276
  122    HA   ARG  15           HA       ARG  15  -8.921  -9.599   3.856
  123   1HB   ARG  15          2HB       ARG  15  -9.951  -7.442   2.855
  124   2HB   ARG  15          1HB       ARG  15  -9.944  -8.314   1.325
  125   1HG   ARG  15          2HG       ARG  15 -10.997 -10.078   3.300
  126   2HG   ARG  15          1HG       ARG  15 -11.819  -8.528   3.484
  127   1HD   ARG  15          2HD       ARG  15 -11.907  -8.704   0.797
  128   2HD   ARG  15          1HD       ARG  15 -11.873 -10.433   1.188
  129    HE   ARG  15           HE       ARG  15 -13.981 -10.207   2.251
  130   1HH1  ARG  15          1HH2      ARG  15 -12.587  -7.104   1.519
  131   2HH1  ARG  15          2HH2      ARG  15 -14.027  -6.234   1.916
  132   1HH2  ARG  15          1HH1      ARG  15 -15.850  -9.062   2.768
  133   2HH2  ARG  15          2HH1      ARG  15 -15.869  -7.337   2.619
  134    H    GLY  16           H        GLY  16  -9.303 -11.702   3.112
  135   1HA   GLY  16          2HA       GLY  16  -7.599 -12.709   0.987
  136   2HA   GLY  16          1HA       GLY  16  -8.748 -13.657   1.925
  137    H    GLU  17           H        GLU  17  -8.822 -14.410  -0.541
  138    HA   GLU  17           HA       GLU  17 -10.694 -12.782  -2.173
  139   1HB   GLU  17          2HB       GLU  17  -9.607 -15.526  -2.829
  140   2HB   GLU  17          1HB       GLU  17 -10.043 -14.227  -3.938
  141   1HG   GLU  17          2HG       GLU  17  -8.138 -12.878  -2.870
  142   2HG   GLU  17          1HG       GLU  17  -7.623 -14.393  -2.130
  143    H    TYR  18           H        TYR  18 -10.613 -15.851  -0.385
  144    HA   TYR  18           HA       TYR  18 -13.578 -16.092  -0.793
  145   1HB   TYR  18          2HB       TYR  18 -13.122 -18.580  -0.808
  146   2HB   TYR  18          1HB       TYR  18 -12.418 -17.716  -2.172
  147    HD1  TYR  18           1HD      TYR  18 -10.056 -17.661  -2.520
  148    HD2  TYR  18           2HD      TYR  18 -11.652 -19.167   1.175
  149    HE1  TYR  18           1HE      TYR  18  -7.806 -18.487  -1.880
  150    HE2  TYR  18           2HE      TYR  18  -9.404 -19.989   1.812
  151    HH   TYR  18           HH       TYR  18  -7.109 -20.641   0.025
  152    H    ILE  19           H        ILE  19 -11.560 -15.197   1.532
  153    HA   ILE  19           HA       ILE  19 -12.689 -17.016   3.631
  154    HB   ILE  19           HB       ILE  19 -10.188 -16.800   3.280
  155   1HG1  ILE  19          2HG1      ILE  19 -11.113 -15.804   5.987
  156   2HG1  ILE  19          1HG1      ILE  19 -11.330 -17.471   5.453
  157   1HG2  ILE  19          1HG2      ILE  19 -10.285 -14.183   4.719
  158   2HG2  ILE  19          2HG2      ILE  19 -10.576 -14.170   2.980
  159   3HG2  ILE  19          3HG2      ILE  19  -9.063 -14.813   3.615
  160   1HD1  ILE  19          1HD1      ILE  19  -8.711 -17.173   4.881
  161   2HD1  ILE  19          2HD1      ILE  19  -9.282 -17.729   6.454
  162   3HD1  ILE  19          3HD1      ILE  19  -8.840 -16.038   6.225
  163    H    LYS  20           H        LYS  20 -12.740 -13.727   2.469
  164    HA   LYS  20           HA       LYS  20 -13.845 -11.802   3.260
  165   1HB   LYS  20          2HB       LYS  20 -15.314 -14.000   4.757
  166   2HB   LYS  20          1HB       LYS  20 -15.871 -12.330   4.662
  167   1HG   LYS  20          2HG       LYS  20 -16.190 -12.459   2.305
  168   2HG   LYS  20          1HG       LYS  20 -15.277 -13.964   2.188
  169   1HD   LYS  20          2HD       LYS  20 -17.750 -13.837   3.894
  170   2HD   LYS  20          1HD       LYS  20 -17.892 -14.064   2.151
  171   1HE   LYS  20          2HE       LYS  20 -16.659 -16.112   2.211
  172   2HE   LYS  20          1HE       LYS  20 -16.092 -15.805   3.864
  173   1HZ   LYS  20          1HZ       LYS  20 -18.942 -16.126   3.074
  174   2HZ   LYS  20          2HZ       LYS  20 -18.357 -15.896   4.653
  175   3HZ   LYS  20          3HZ       LYS  20 -18.002 -17.329   3.813
  176    H    THR  21           H        THR  21 -11.398 -12.560   4.600
  177    HA   THR  21           HA       THR  21 -11.885 -11.319   7.279
  178    HB   THR  21           HB       THR  21  -9.998 -13.635   6.752
  179    HG1  THR  21           1HG      THR  21 -12.678 -13.605   7.671
  180   1HG2  THR  21          1HG2      THR  21  -9.523 -12.200   8.718
  181   2HG2  THR  21          2HG2      THR  21 -10.004 -13.829   9.193
  182   3HG2  THR  21          3HG2      THR  21 -11.157 -12.499   9.311
  183    H    TRP  22           H        TRP  22 -10.148  -9.984   7.983
  184    HA   TRP  22           HA       TRP  22  -8.217  -9.223   5.850
  185   1HB   TRP  22          2HB       TRP  22  -9.125  -7.931   8.443
  186   2HB   TRP  22          1HB       TRP  22  -7.952  -7.211   7.341
  187    HD1  TRP  22           HD       TRP  22 -11.647  -8.102   7.632
  188    HE1  TRP  22           1HE      TRP  22 -12.957  -6.861   5.794
  189    HE3  TRP  22           3HE      TRP  22  -7.768  -6.130   4.966
  190    HZ2  TRP  22           2HZ      TRP  22 -12.431  -5.245   3.496
  191    HZ3  TRP  22           3HZ      TRP  22  -8.199  -4.746   2.956
  192    HH2  TRP  22           HH       TRP  22 -10.524  -4.302   2.217
  193    H    ARG  23           H        ARG  23  -6.209 -10.118   5.981
  194    HA   ARG  23           HA       ARG  23  -5.186 -11.016   8.644
  195   1HB   ARG  23          2HB       ARG  23  -3.871 -12.579   7.394
  196   2HB   ARG  23          1HB       ARG  23  -5.466 -12.585   6.647
  197   1HG   ARG  23          2HG       ARG  23  -4.526 -10.812   5.031
  198   2HG   ARG  23          1HG       ARG  23  -2.938 -11.272   5.644
  199   1HD   ARG  23          2HD       ARG  23  -2.925 -13.059   4.258
  200   2HD   ARG  23          1HD       ARG  23  -4.392 -13.677   5.044
  201    HE   ARG  23           HE       ARG  23  -5.348 -11.645   3.431
  202   1HH1  ARG  23          1HH2      ARG  23  -3.396 -14.481   2.928
  203   2HH1  ARG  23          2HH2      ARG  23  -3.859 -14.650   1.269
  204   1HH2  ARG  23          1HH1      ARG  23  -5.928 -11.864   1.270
  205   2HH2  ARG  23          2HH1      ARG  23  -5.299 -13.180   0.334
  206    HA   PRO  24           HA       PRO  24  -2.324  -7.654   8.533
  207   1HB   PRO  24          2HB       PRO  24  -0.580  -8.569  10.437
  208   2HB   PRO  24          1HB       PRO  24  -2.170  -7.881  10.825
  209   1HG   PRO  24          2HG       PRO  24  -1.329 -10.732  10.670
  210   2HG   PRO  24          1HG       PRO  24  -2.413  -9.936  11.822
  211   1HD   PRO  24          2HD       PRO  24  -3.298 -11.442   9.736
  212   2HD   PRO  24          1HD       PRO  24  -4.225 -10.092  10.427
  213    H    ARG  25           H        ARG  25  -0.640  -7.262   7.178
  214    HA   ARG  25           HA       ARG  25   1.375  -9.401   6.631
  215   1HB   ARG  25          2HB       ARG  25  -0.714  -8.327   4.905
  216   2HB   ARG  25          1HB       ARG  25   0.882  -8.055   4.208
  217   1HG   ARG  25          2HG       ARG  25   1.167 -10.246   3.749
  218   2HG   ARG  25          1HG       ARG  25   0.605 -10.735   5.347
  219   1HD   ARG  25          2HD       ARG  25  -1.331 -11.429   4.408
  220   2HD   ARG  25          1HD       ARG  25  -1.674  -9.758   3.931
  221    HE   ARG  25           HE       ARG  25  -0.286 -11.790   2.244
  222   1HH1  ARG  25          1HH2      ARG  25  -1.567  -8.573   2.663
  223   2HH1  ARG  25          2HH2      ARG  25  -1.525  -8.214   0.975
  224   1HH2  ARG  25          1HH1      ARG  25  -0.223 -11.288   0.044
  225   2HH2  ARG  25          2HH1      ARG  25  -0.764  -9.735  -0.503
  226    H    TYR  26           H        TYR  26   3.461  -8.548   6.247
  227    HA   TYR  26           HA       TYR  26   3.978  -5.847   7.180
  228   1HB   TYR  26          2HB       TYR  26   5.431  -7.874   7.483
  229   2HB   TYR  26          1HB       TYR  26   5.776  -7.840   5.755
  230    HD1  TYR  26           1HD      TYR  26   7.974  -7.132   5.446
  231    HD2  TYR  26           2HD      TYR  26   5.505  -5.104   8.318
  232    HE1  TYR  26           1HE      TYR  26   9.784  -5.486   5.841
  233    HE2  TYR  26           2HE      TYR  26   7.315  -3.456   8.709
  234    HH   TYR  26           HH       TYR  26   9.730  -2.877   6.755
  235    H    PHE  27           H        PHE  27   3.581  -4.084   5.894
  236    HA   PHE  27           HA       PHE  27   3.975  -4.355   2.935
  237   1HB   PHE  27          2HB       PHE  27   2.071  -2.982   4.744
  238   2HB   PHE  27          1HB       PHE  27   2.556  -2.059   3.323
  239    HD1  PHE  27           1HD      PHE  27   1.233  -5.386   4.391
  240    HD2  PHE  27           2HD      PHE  27   1.652  -2.544   1.198
  241    HE1  PHE  27           1HE      PHE  27  -0.294  -6.742   2.985
  242    HE2  PHE  27           2HE      PHE  27   0.125  -3.899  -0.209
  243    HZ   PHE  27           HZ       PHE  27  -0.849  -5.997   0.685
  244    H    LEU  28           H        LEU  28   5.132  -2.712   1.822
  245    HA   LEU  28           HA       LEU  28   6.611  -0.722   3.508
  246   1HB   LEU  28          2HB       LEU  28   7.672  -2.741   1.518
  247   2HB   LEU  28          1HB       LEU  28   8.614  -1.343   2.036
  248    HG   LEU  28           HG       LEU  28   7.708  -2.380   4.436
  249   1HD1  LEU  28          1HD1      LEU  28   6.989  -4.487   3.936
  250   2HD1  LEU  28          2HD1      LEU  28   8.712  -4.857   3.885
  251   3HD1  LEU  28          3HD1      LEU  28   7.840  -4.517   2.391
  252   1HD2  LEU  28          1HD2      LEU  28  10.260  -2.579   2.862
  253   2HD2  LEU  28          2HD2      LEU  28  10.129  -3.437   4.397
  254   3HD2  LEU  28          3HD2      LEU  28   9.935  -1.685   4.347
  255    H    LEU  29           H        LEU  29   6.631   1.288   2.592
  256    HA   LEU  29           HA       LEU  29   5.674   1.600  -0.235
  257   1HB   LEU  29          2HB       LEU  29   4.414   2.537   1.801
  258   2HB   LEU  29          1HB       LEU  29   5.766   3.652   1.999
  259    HG   LEU  29           HG       LEU  29   4.465   3.426  -0.696
  260   1HD1  LEU  29          1HD1      LEU  29   3.164   5.554   0.457
  261   2HD1  LEU  29          2HD1      LEU  29   3.186   4.390   1.781
  262   3HD1  LEU  29          3HD1      LEU  29   2.459   3.954   0.234
  263   1HD2  LEU  29          1HD2      LEU  29   5.666   5.305  -1.096
  264   2HD2  LEU  29          2HD2      LEU  29   6.510   4.958   0.414
  265   3HD2  LEU  29          3HD2      LEU  29   5.130   6.057   0.408
  266    H    LYS  30           H        LYS  30   7.122   2.541  -1.705
  267    HA   LYS  30           HA       LYS  30   9.734   3.490  -0.585
  268   1HB   LYS  30          2HB       LYS  30   8.880   2.351  -3.256
  269   2HB   LYS  30          1HB       LYS  30  10.498   2.991  -2.952
  270   1HG   LYS  30          2HG       LYS  30  10.190   1.361  -0.788
  271   2HG   LYS  30          1HG       LYS  30   9.252   0.482  -1.994
  272   1HD   LYS  30          2HD       LYS  30  11.566   1.275  -3.357
  273   2HD   LYS  30          1HD       LYS  30  12.140   0.774  -1.767
  274   1HE   LYS  30          2HE       LYS  30  12.121  -1.244  -3.031
  275   2HE   LYS  30          1HE       LYS  30  10.604  -1.310  -2.114
  276   1HZ   LYS  30          1HZ       LYS  30  11.016  -0.536  -4.939
  277   2HZ   LYS  30          2HZ       LYS  30   9.639  -0.021  -4.088
  278   3HZ   LYS  30          3HZ       LYS  30   9.937  -1.679  -4.304
  279    H    SER  31           H        SER  31  10.807   5.270  -1.792
  280    HA   SER  31           HA       SER  31   9.150   7.610  -1.985
  281   1HB   SER  31          2HB       SER  31  11.805   7.000  -1.663
  282   2HB   SER  31          1HB       SER  31  11.789   7.639  -3.304
  283    HG   SER  31           HG       SER  31  11.790   9.492  -2.296
  284    H    ASP  32           H        ASP  32   9.637   5.147  -4.322
  285    HA   ASP  32           HA       ASP  32   9.460   6.922  -6.671
  286   1HB   ASP  32          2HB       ASP  32  10.778   4.846  -6.686
  287   2HB   ASP  32          1HB       ASP  32   9.335   3.910  -6.301
  288    H    GLY  33           H        GLY  33   7.254   5.452  -4.468
  289   1HA   GLY  33          2HA       GLY  33   4.890   5.989  -4.517
  290   2HA   GLY  33          1HA       GLY  33   4.995   6.158  -6.271
  291    H    SER  34           H        SER  34   6.269   3.495  -4.281
  292    HA   SER  34           HA       SER  34   4.282   1.679  -5.601
  293   1HB   SER  34          2HB       SER  34   5.993   0.325  -6.357
  294   2HB   SER  34          1HB       SER  34   6.846   1.863  -6.360
  295    HG   SER  34           HG       SER  34   7.291  -0.359  -4.886
  296    H    PHE  35           H        PHE  35   3.319   0.228  -4.225
  297    HA   PHE  35           HA       PHE  35   4.300   0.150  -1.388
  298   1HB   PHE  35          2HB       PHE  35   1.881   0.952  -2.461
  299   2HB   PHE  35          1HB       PHE  35   1.549  -0.719  -2.012
  300    HD1  PHE  35           1HD      PHE  35   3.323  -1.037   0.361
  301    HD2  PHE  35           2HD      PHE  35   0.772   2.215  -0.809
  302    HE1  PHE  35           1HE      PHE  35   3.102  -0.355   2.733
  303    HE2  PHE  35           2HE      PHE  35   0.549   2.895   1.563
  304    HZ   PHE  35           HZ       PHE  35   1.714   1.612   3.334
  305    H    ILE  36           H        ILE  36   5.222  -1.807  -0.885
  306    HA   ILE  36           HA       ILE  36   4.407  -4.223  -2.465
  307    HB   ILE  36           HB       ILE  36   6.810  -3.867  -0.648
  308   1HG1  ILE  36          2HG1      ILE  36   6.952  -2.071  -2.281
  309   2HG1  ILE  36          1HG1      ILE  36   8.080  -3.338  -2.759
  310   1HG2  ILE  36          1HG2      ILE  36   6.214  -5.694  -2.997
  311   2HG2  ILE  36          2HG2      ILE  36   6.287  -6.167  -1.300
  312   3HG2  ILE  36          3HG2      ILE  36   7.748  -5.634  -2.130
  313   1HD1  ILE  36          1HD1      ILE  36   7.076  -3.213  -4.787
  314   2HD1  ILE  36          2HD1      ILE  36   5.679  -2.353  -4.140
  315   3HD1  ILE  36          3HD1      ILE  36   5.758  -4.111  -4.035
  316    H    GLY  37           H        GLY  37   3.623  -6.047  -1.366
  317   1HA   GLY  37          2HA       GLY  37   3.217  -5.745   1.588
  318   2HA   GLY  37          1HA       GLY  37   2.010  -6.469   0.528
  319    H    TYR  38           H        TYR  38   4.020  -7.372   2.822
  320    HA   TYR  38           HA       TYR  38   4.908  -9.898   1.451
  321   1HB   TYR  38          2HB       TYR  38   6.084  -8.032   3.462
  322   2HB   TYR  38          1HB       TYR  38   6.408  -9.747   3.702
  323    HD1  TYR  38           1HD      TYR  38   7.884 -10.956   2.255
  324    HD2  TYR  38           2HD      TYR  38   6.741  -6.923   1.311
  325    HE1  TYR  38           1HE      TYR  38   9.634 -10.871   0.500
  326    HE2  TYR  38           2HE      TYR  38   8.491  -6.840  -0.444
  327    HH   TYR  38           HH       TYR  38   9.903  -9.416  -1.759
  328    H    LYS  39           H        LYS  39   4.027 -11.795   2.278
  329    HA   LYS  39           HA       LYS  39   1.926 -11.760   4.241
  330   1HB   LYS  39          2HB       LYS  39   2.004 -14.178   3.982
  331   2HB   LYS  39          1HB       LYS  39   2.290 -13.445   2.405
  332   1HG   LYS  39          2HG       LYS  39   4.733 -13.732   2.728
  333   2HG   LYS  39          1HG       LYS  39   4.426 -14.501   4.286
  334   1HD   LYS  39          2HD       LYS  39   2.970 -16.176   3.033
  335   2HD   LYS  39          1HD       LYS  39   3.634 -15.505   1.543
  336   1HE   LYS  39          2HE       LYS  39   5.618 -16.588   1.823
  337   2HE   LYS  39          1HE       LYS  39   5.701 -16.152   3.542
  338   1HZ   LYS  39          1HZ       LYS  39   5.370 -18.538   3.265
  339   2HZ   LYS  39          2HZ       LYS  39   3.951 -18.257   2.373
  340   3HZ   LYS  39          3HZ       LYS  39   4.026 -17.830   4.018
  341    H    GLU  40           H        GLU  40   5.406 -12.274   4.468
  342    HA   GLU  40           HA       GLU  40   5.154 -12.489   7.451
  343   1HB   GLU  40          2HB       GLU  40   5.999 -14.443   5.783
  344   2HB   GLU  40          1HB       GLU  40   7.522 -13.578   5.989
  345   1HG   GLU  40          2HG       GLU  40   6.484 -13.718   8.574
  346   2HG   GLU  40          1HG       GLU  40   6.099 -15.292   7.877
  347    H    ARG  41           H        ARG  41   7.899 -12.132   8.008
  348    HA   ARG  41           HA       ARG  41   8.448  -9.413   6.863
  349   1HB   ARG  41          2HB       ARG  41   7.929 -10.310   9.541
  350   2HB   ARG  41          1HB       ARG  41   9.595  -9.733   9.461
  351   1HG   ARG  41          2HG       ARG  41   8.328  -7.807   8.015
  352   2HG   ARG  41          1HG       ARG  41   7.065  -8.231   9.166
  353   1HD   ARG  41          2HD       ARG  41   8.257  -6.594  10.344
  354   2HD   ARG  41          1HD       ARG  41   9.040  -8.077  10.923
  355    HE   ARG  41           HE       ARG  41  10.633  -7.684   8.883
  356   1HH1  ARG  41          1HH2      ARG  41   9.164  -5.180  10.821
  357   2HH1  ARG  41          2HH2      ARG  41  10.359  -4.004  10.401
  358   1HH2  ARG  41          1HH1      ARG  41  12.169  -6.141   8.360
  359   2HH2  ARG  41          2HH1      ARG  41  12.055  -4.546   9.021
  360    HA   PRO  42           HA       PRO  42  12.088 -12.269   6.275
  361   1HB   PRO  42          2HB       PRO  42  12.230 -12.103   3.549
  362   2HB   PRO  42          1HB       PRO  42  11.235 -13.309   4.389
  363   1HG   PRO  42          2HG       PRO  42  10.426 -10.789   3.053
  364   2HG   PRO  42          1HG       PRO  42   9.569 -12.331   3.176
  365   1HD   PRO  42          2HD       PRO  42   9.018 -10.090   4.694
  366   2HD   PRO  42          1HD       PRO  42   8.570 -11.753   5.128
  367    H    GLU  43           H        GLU  43  14.213 -11.462   5.955
  368    HA   GLU  43           HA       GLU  43  14.420  -8.600   5.060
  369   1HB   GLU  43          2HB       GLU  43  15.184 -10.008   7.532
  370   2HB   GLU  43          1HB       GLU  43  16.482  -9.023   6.858
  371   1HG   GLU  43          2HG       GLU  43  15.403  -7.408   8.105
  372   2HG   GLU  43          1HG       GLU  43  14.502  -7.249   6.598
  373    H    ALA  44           H        ALA  44  16.005 -11.788   5.222
  374    HA   ALA  44           HA       ALA  44  17.625 -12.759   3.812
  375   1HB   ALA  44          1HB       ALA  44  16.174 -11.276   2.178
  376   2HB   ALA  44          2HB       ALA  44  17.709 -11.942   1.624
  377   3HB   ALA  44          3HB       ALA  44  17.614 -10.259   2.141
  378    HA   PRO  45           HA       PRO  45  21.449 -11.056   5.143
  379   1HB   PRO  45          2HB       PRO  45  23.193 -11.925   3.219
  380   2HB   PRO  45          1HB       PRO  45  22.475 -13.002   4.434
  381   1HG   PRO  45          2HG       PRO  45  21.746 -12.616   1.580
  382   2HG   PRO  45          1HG       PRO  45  21.748 -14.091   2.558
  383   1HD   PRO  45          2HD       PRO  45  19.491 -12.667   1.932
  384   2HD   PRO  45          1HD       PRO  45  19.644 -13.719   3.355
  385    H    ASP  46           H        ASP  46  20.969 -10.600   1.613
  386    HA   ASP  46           HA       ASP  46  22.150  -7.853   1.892
  387   1HB   ASP  46          2HB       ASP  46  22.132  -9.858  -0.389
  388   2HB   ASP  46          1HB       ASP  46  22.706  -8.201  -0.559
  389    H    GLN  47           H        GLN  47  20.169  -9.469  -0.620
  390    HA   GLN  47           HA       GLN  47  17.780  -7.908  -0.038
  391   1HB   GLN  47          2HB       GLN  47  19.729  -6.471  -1.224
  392   2HB   GLN  47          1HB       GLN  47  18.988  -7.171  -2.663
  393   1HG   GLN  47          2HG       GLN  47  17.590  -5.370  -2.468
  394   2HG   GLN  47          1HG       GLN  47  16.758  -6.424  -1.324
  395   1HE2  GLN  47          1HE2      GLN  47  16.894  -5.900   0.943
  396   2HE2  GLN  47          2HE2      GLN  47  17.632  -4.481   1.506
  397    H    THR  48           H        THR  48  18.226 -10.673  -0.434
  398    HA   THR  48           HA       THR  48  17.171 -11.248  -3.169
  399    HB   THR  48           HB       THR  48  19.220 -12.385  -2.311
  400    HG1  THR  48           1HG      THR  48  18.393 -13.760  -3.663
  401   1HG2  THR  48          1HG2      THR  48  17.489 -12.791  -0.008
  402   2HG2  THR  48          2HG2      THR  48  19.240 -12.947  -0.132
  403   3HG2  THR  48          3HG2      THR  48  18.201 -14.305  -0.563
  404    H    LEU  49           H        LEU  49  15.261 -10.057  -1.796
  405    HA   LEU  49           HA       LEU  49  13.594 -12.099  -0.398
  406   1HB   LEU  49          2HB       LEU  49  13.348  -9.089  -0.720
  407   2HB   LEU  49          1HB       LEU  49  12.305 -10.089   0.291
  408    HG   LEU  49           HG       LEU  49  15.015 -10.714   0.945
  409   1HD1  LEU  49          1HD1      LEU  49  15.489  -8.325   1.898
  410   2HD1  LEU  49          2HD1      LEU  49  14.398  -7.787   0.621
  411   3HD1  LEU  49          3HD1      LEU  49  15.872  -8.662   0.210
  412   1HD2  LEU  49          1HD2      LEU  49  12.547 -10.235   2.198
  413   2HD2  LEU  49          2HD2      LEU  49  13.635  -9.017   2.861
  414   3HD2  LEU  49          3HD2      LEU  49  14.048 -10.726   2.984
  415    HA   PRO  50           HA       PRO  50  11.297 -12.419  -4.223
  416   1HB   PRO  50          2HB       PRO  50   9.470 -14.248  -3.319
  417   2HB   PRO  50          1HB       PRO  50  11.124 -14.685  -3.792
  418   1HG   PRO  50          2HG       PRO  50   9.970 -14.304  -1.080
  419   2HG   PRO  50          1HG       PRO  50  11.171 -15.475  -1.643
  420   1HD   PRO  50          2HD       PRO  50  11.782 -13.204  -0.237
  421   2HD   PRO  50          1HD       PRO  50  12.910 -14.030  -1.334
  422    HA   PRO  51           HA       PRO  51   8.149  -9.491  -2.987
  423   1HB   PRO  51          2HB       PRO  51   7.215  -8.942  -5.497
  424   2HB   PRO  51          1HB       PRO  51   8.730  -8.271  -4.861
  425   1HG   PRO  51          2HG       PRO  51   8.303 -10.524  -6.747
  426   2HG   PRO  51          1HG       PRO  51   9.586  -9.307  -6.710
  427   1HD   PRO  51          2HD       PRO  51   9.869 -11.890  -5.814
  428   2HD   PRO  51          1HD       PRO  51  10.867 -10.524  -5.276
  429    H    LEU  52           H        LEU  52   6.086  -9.912  -2.314
  430    HA   LEU  52           HA       LEU  52   4.608 -12.199  -3.560
  431   1HB   LEU  52          2HB       LEU  52   5.284 -11.508  -0.926
  432   2HB   LEU  52          1HB       LEU  52   3.572 -11.114  -1.054
  433    HG   LEU  52           HG       LEU  52   4.194 -13.666  -2.326
  434   1HD1  LEU  52          1HD1      LEU  52   5.922 -13.531  -0.437
  435   2HD1  LEU  52          2HD1      LEU  52   4.839 -14.922  -0.407
  436   3HD1  LEU  52          3HD1      LEU  52   4.552 -13.558   0.673
  437   1HD2  LEU  52          1HD2      LEU  52   2.427 -13.102   0.064
  438   2HD2  LEU  52          2HD2      LEU  52   2.232 -14.357  -1.160
  439   3HD2  LEU  52          3HD2      LEU  52   1.948 -12.666  -1.577
  440    H    ASN  53           H        ASN  53   3.810  -9.086  -1.939
  441    HA   ASN  53           HA       ASN  53   1.530  -8.759  -3.865
  442   1HB   ASN  53          2HB       ASN  53   1.128  -8.907  -1.374
  443   2HB   ASN  53          1HB       ASN  53   2.065  -7.428  -1.188
  444   1HD2  ASN  53          1HD2      ASN  53   1.203  -5.495  -2.574
  445   2HD2  ASN  53          2HD2      ASN  53  -0.482  -5.366  -2.728
  446    H    ASN  54           H        ASN  54   1.765  -7.143  -5.381
  447    HA   ASN  54           HA       ASN  54   3.772  -4.977  -4.823
  448   1HB   ASN  54          2HB       ASN  54   3.197  -6.724  -7.193
  449   2HB   ASN  54          1HB       ASN  54   3.798  -5.093  -7.485
  450   1HD2  ASN  54          1HD2      ASN  54   5.929  -4.523  -6.475
  451   2HD2  ASN  54          2HD2      ASN  54   7.033  -5.756  -6.105
  452    H    PHE  55           H        PHE  55   2.965  -2.919  -4.964
  453    HA   PHE  55           HA       PHE  55   0.413  -2.469  -6.472
  454   1HB   PHE  55          2HB       PHE  55   0.137  -2.770  -3.966
  455   2HB   PHE  55          1HB       PHE  55   1.110  -1.315  -3.755
  456    HD1  PHE  55           1HD      PHE  55   0.240   0.880  -4.304
  457    HD2  PHE  55           2HD      PHE  55  -2.084  -2.657  -5.042
  458    HE1  PHE  55           1HE      PHE  55  -1.767   2.281  -4.697
  459    HE2  PHE  55           2HE      PHE  55  -4.091  -1.256  -5.435
  460    HZ   PHE  55           HZ       PHE  55  -3.933   1.214  -5.263
  461    H    SER  56           H        SER  56   0.217  -0.333  -7.350
  462    HA   SER  56           HA       SER  56   2.709   1.342  -7.233
  463   1HB   SER  56          2HB       SER  56   2.356   0.063  -9.353
  464   2HB   SER  56          1HB       SER  56   0.801   0.865  -9.550
  465    HG   SER  56           HG       SER  56   1.836   2.513 -10.329
  466    H    VAL  57           H        VAL  57   2.280   3.345  -6.376
  467    HA   VAL  57           HA       VAL  57  -0.542   4.345  -6.443
  468    HB   VAL  57           HB       VAL  57   0.948   3.905  -4.307
  469   1HG1  VAL  57          1HG1      VAL  57   2.445   5.571  -3.664
  470   2HG1  VAL  57          2HG1      VAL  57   1.725   6.775  -4.733
  471   3HG1  VAL  57          3HG1      VAL  57   2.740   5.498  -5.401
  472   1HG2  VAL  57          1HG2      VAL  57  -0.255   5.709  -3.140
  473   2HG2  VAL  57          2HG2      VAL  57  -1.309   4.915  -4.309
  474   3HG2  VAL  57          3HG2      VAL  57  -0.601   6.486  -4.684
  475    H    ALA  58           H        ALA  58   1.735   4.610  -8.568
  476    HA   ALA  58           HA       ALA  58   2.413   7.439  -8.661
  477   1HB   ALA  58          1HB       ALA  58   3.105   6.767 -11.006
  478   2HB   ALA  58          2HB       ALA  58   2.436   5.168 -10.677
  479   3HB   ALA  58          3HB       ALA  58   3.802   5.764  -9.733
  480    H    GLU  59           H        GLU  59   0.844   8.968  -9.009
  481    HA   GLU  59           HA       GLU  59  -1.030  10.067  -9.920
  482   1HB   GLU  59          2HB       GLU  59   0.464   9.242 -11.942
  483   2HB   GLU  59          1HB       GLU  59  -0.890   8.149 -12.232
  484   1HG   GLU  59          2HG       GLU  59  -2.209  10.506 -11.814
  485   2HG   GLU  59          1HG       GLU  59  -0.726  11.082 -12.576
  486    H    CYS  60           H        CYS  60  -1.858   8.382  -8.017
  487    HA   CYS  60           HA       CYS  60  -4.216   6.956  -9.210
  488   1HB   CYS  60          2HB       CYS  60  -2.233   5.554  -8.359
  489   2HB   CYS  60          1HB       CYS  60  -2.684   6.102  -6.744
  490    H    GLN  61           H        GLN  61  -6.110   6.907  -7.780
  491    HA   GLN  61           HA       GLN  61  -6.171   9.216  -5.879
  492   1HB   GLN  61          2HB       GLN  61  -7.694   8.811  -7.991
  493   2HB   GLN  61          1HB       GLN  61  -8.558   7.705  -6.922
  494   1HG   GLN  61          2HG       GLN  61  -8.097  10.082  -5.437
  495   2HG   GLN  61          1HG       GLN  61  -8.695  10.578  -7.020
  496   1HE2  GLN  61          1HE2      GLN  61  -9.454   7.859  -4.741
  497   2HE2  GLN  61          2HE2      GLN  61 -11.133   8.072  -4.835
  498    H    LEU  62           H        LEU  62  -6.454   8.815  -3.704
  499    HA   LEU  62           HA       LEU  62  -7.511   6.141  -2.862
  500   1HB   LEU  62          2HB       LEU  62  -5.682   6.079  -1.164
  501   2HB   LEU  62          1HB       LEU  62  -5.064   6.073  -2.813
  502    HG   LEU  62           HG       LEU  62  -5.405   8.793  -1.828
  503   1HD1  LEU  62          1HD1      LEU  62  -3.835   6.820  -0.180
  504   2HD1  LEU  62          2HD1      LEU  62  -4.914   8.105   0.364
  505   3HD1  LEU  62          3HD1      LEU  62  -3.324   8.505  -0.285
  506   1HD2  LEU  62          1HD2      LEU  62  -2.989   8.879  -2.519
  507   2HD2  LEU  62          2HD2      LEU  62  -4.053   8.240  -3.773
  508   3HD2  LEU  62          3HD2      LEU  62  -3.058   7.142  -2.816
  509    H    MET  63           H        MET  63  -8.474   6.154  -0.713
  510    HA   MET  63           HA       MET  63  -8.752   8.740   0.695
  511   1HB   MET  63          2HB       MET  63 -11.176   8.820   0.382
  512   2HB   MET  63          1HB       MET  63 -10.394   8.760  -1.196
  513   1HG   MET  63          2HG       MET  63 -10.871   6.072  -0.237
  514   2HG   MET  63          1HG       MET  63 -12.369   6.999  -0.201
  515   1HE   MET  63          1HE       MET  63 -12.721   8.845  -2.330
  516   2HE   MET  63          2HE       MET  63 -13.782   7.467  -2.046
  517   3HE   MET  63          3HE       MET  63 -13.259   7.845  -3.687
  518    H    LYS  64           H        LYS  64  -9.538   8.463   2.847
  519    HA   LYS  64           HA       LYS  64  -9.340   5.707   3.888
  520   1HB   LYS  64          2HB       LYS  64  -9.400   6.860   6.070
  521   2HB   LYS  64          1HB       LYS  64  -8.240   7.640   4.997
  522   1HG   LYS  64          2HG       LYS  64 -10.586   8.990   4.420
  523   2HG   LYS  64          1HG       LYS  64 -10.724   8.704   6.154
  524   1HD   LYS  64          2HD       LYS  64  -9.503  10.666   6.189
  525   2HD   LYS  64          1HD       LYS  64  -8.183   9.498   6.128
  526   1HE   LYS  64          2HE       LYS  64  -8.320   9.713   3.563
  527   2HE   LYS  64          1HE       LYS  64  -9.304  11.159   3.863
  528   1HZ   LYS  64          1HZ       LYS  64  -7.582  12.090   5.200
  529   2HZ   LYS  64          2HZ       LYS  64  -6.870  11.603   3.736
  530   3HZ   LYS  64          3HZ       LYS  64  -6.666  10.663   5.138
  531    H    THR  65           H        THR  65 -11.075   4.561   4.807
  532    HA   THR  65           HA       THR  65 -13.776   5.851   4.748
  533    HB   THR  65           HB       THR  65 -13.275   4.645   2.618
  534    HG1  THR  65           1HG      THR  65 -15.178   3.472   2.634
  535   1HG2  THR  65          1HG2      THR  65 -13.317   2.055   2.904
  536   2HG2  THR  65          2HG2      THR  65 -12.787   2.391   4.552
  537   3HG2  THR  65          3HG2      THR  65 -11.801   2.910   3.185
  538    H    GLU  66           H        GLU  66 -15.412   4.064   5.669
  539    HA   GLU  66           HA       GLU  66 -14.145   2.839   8.101
  540   1HB   GLU  66          2HB       GLU  66 -16.238   3.456   9.259
  541   2HB   GLU  66          1HB       GLU  66 -15.484   4.876   8.538
  542   1HG   GLU  66          2HG       GLU  66 -17.031   4.853   6.687
  543   2HG   GLU  66          1HG       GLU  66 -17.675   3.284   7.175
  544    H    ARG  67           H        ARG  67 -15.053   1.749   5.292
  545    HA   ARG  67           HA       ARG  67 -16.570  -0.578   6.402
  546   1HB   ARG  67          2HB       ARG  67 -17.261   1.357   4.276
  547   2HB   ARG  67          1HB       ARG  67 -17.499  -0.333   3.832
  548   1HG   ARG  67          2HG       ARG  67 -18.524  -0.248   6.394
  549   2HG   ARG  67          1HG       ARG  67 -18.993   1.324   5.745
  550   1HD   ARG  67          2HD       ARG  67 -20.297   0.383   4.041
  551   2HD   ARG  67          1HD       ARG  67 -19.419  -1.159   4.087
  552    HE   ARG  67           HE       ARG  67 -20.537  -0.862   6.642
  553   1HH1  ARG  67          1HH2      ARG  67 -21.662  -1.046   3.356
  554   2HH1  ARG  67          2HH2      ARG  67 -23.180  -1.751   3.790
  555   1HH2  ARG  67          1HH1      ARG  67 -22.522  -1.781   7.197
  556   2HH2  ARG  67          2HH1      ARG  67 -23.667  -2.167   5.957
  557    HA   PRO  68           HA       PRO  68 -17.248  -2.494   5.656
  558   1HB   PRO  68          2HB       PRO  68 -16.212  -4.885   6.498
  559   2HB   PRO  68          1HB       PRO  68 -16.854  -4.623   4.865
  560   1HG   PRO  68          2HG       PRO  68 -14.029  -4.648   5.805
  561   2HG   PRO  68          1HG       PRO  68 -14.730  -5.303   4.317
  562   1HD   PRO  68          2HD       PRO  68 -13.375  -2.951   4.408
  563   2HD   PRO  68          1HD       PRO  68 -14.671  -3.282   3.240
  564    H    ARG  69           H        ARG  69 -13.991  -2.109   6.928
  565    HA   ARG  69           HA       ARG  69 -15.106  -2.050   9.716
  566   1HB   ARG  69          2HB       ARG  69 -12.461  -2.889   8.530
  567   2HB   ARG  69          1HB       ARG  69 -12.587  -2.464  10.236
  568   1HG   ARG  69          2HG       ARG  69 -14.165  -4.205  10.656
  569   2HG   ARG  69          1HG       ARG  69 -14.418  -4.486   8.934
  570   1HD   ARG  69          2HD       ARG  69 -12.657  -5.908   8.832
  571   2HD   ARG  69          1HD       ARG  69 -11.596  -4.753   9.658
  572    HE   ARG  69           HE       ARG  69 -13.195  -6.860  10.954
  573   1HH1  ARG  69          1HH2      ARG  69 -11.436  -3.873  11.292
  574   2HH1  ARG  69          2HH2      ARG  69 -11.175  -4.083  12.988
  575   1HH2  ARG  69          1HH1      ARG  69 -12.856  -7.113  13.169
  576   2HH2  ARG  69          2HH1      ARG  69 -11.977  -5.908  14.048
  577    HA   PRO  70           HA       PRO  70 -13.941   2.178  10.025
  578   1HB   PRO  70          2HB       PRO  70 -12.937   2.328  12.574
  579   2HB   PRO  70          1HB       PRO  70 -14.669   2.162  12.219
  580   1HG   PRO  70          2HG       PRO  70 -12.693   0.068  13.005
  581   2HG   PRO  70          1HG       PRO  70 -14.361   0.304  13.552
  582   1HD   PRO  70          2HD       PRO  70 -13.700  -1.552  11.710
  583   2HD   PRO  70          1HD       PRO  70 -15.259  -0.697  11.679
  584    H    ASN  71           H        ASN  71 -12.078   3.600   9.991
  585    HA   ASN  71           HA       ASN  71  -9.837   4.154   9.512
  586   1HB   ASN  71          2HB       ASN  71  -9.436   1.743  11.321
  587   2HB   ASN  71          1HB       ASN  71  -8.180   2.902  10.900
  588   1HD2  ASN  71          1HD2      ASN  71 -10.970   2.363  12.948
  589   2HD2  ASN  71          2HD2      ASN  71 -10.907   3.851  13.758
  590    H    THR  72           H        THR  72 -10.792   3.103   7.336
  591    HA   THR  72           HA       THR  72  -8.926   0.900   6.494
  592    HB   THR  72           HB       THR  72 -11.822   1.520   5.870
  593    HG1  THR  72           1HG      THR  72 -12.071  -0.052   7.204
  594   1HG2  THR  72          1HG2      THR  72 -11.623  -0.514   4.319
  595   2HG2  THR  72          2HG2      THR  72  -9.882  -0.240   4.367
  596   3HG2  THR  72          3HG2      THR  72 -10.951   1.002   3.718
  597    H    PHE  73           H        PHE  73  -8.260   1.028   4.203
  598    HA   PHE  73           HA       PHE  73  -8.342   3.831   3.118
  599   1HB   PHE  73          2HB       PHE  73  -6.216   1.906   3.723
  600   2HB   PHE  73          1HB       PHE  73  -6.107   2.542   2.083
  601    HD1  PHE  73           1HD      PHE  73  -7.085   3.969   5.428
  602    HD2  PHE  73           2HD      PHE  73  -4.646   4.337   1.909
  603    HE1  PHE  73           1HE      PHE  73  -6.126   6.076   6.309
  604    HE2  PHE  73           2HE      PHE  73  -3.690   6.446   2.795
  605    HZ   PHE  73           HZ       PHE  73  -4.428   7.310   4.997
  606    H    VAL  74           H        VAL  74  -9.255   3.998   1.109
  607    HA   VAL  74           HA       VAL  74  -9.493   1.517  -0.571
  608    HB   VAL  74           HB       VAL  74 -11.292   3.939  -0.206
  609   1HG1  VAL  74          1HG1      VAL  74 -12.806   2.669  -1.814
  610   2HG1  VAL  74          2HG1      VAL  74 -11.406   1.675  -2.216
  611   3HG1  VAL  74          3HG1      VAL  74 -11.381   3.408  -2.546
  612   1HG2  VAL  74          1HG2      VAL  74 -11.304   1.995   1.470
  613   2HG2  VAL  74          2HG2      VAL  74 -11.930   1.002   0.155
  614   3HG2  VAL  74          3HG2      VAL  74 -12.853   2.391   0.728
  615    H    ILE  75           H        ILE  75  -8.855   1.710  -2.739
  616    HA   ILE  75           HA       ILE  75  -7.913   4.400  -3.663
  617    HB   ILE  75           HB       ILE  75  -6.049   3.056  -2.767
  618   1HG1  ILE  75          2HG1      ILE  75  -5.558   2.791  -5.681
  619   2HG1  ILE  75          1HG1      ILE  75  -6.075   4.385  -5.136
  620   1HG2  ILE  75          1HG2      ILE  75  -6.945   1.016  -4.824
  621   2HG2  ILE  75          2HG2      ILE  75  -6.947   0.817  -3.073
  622   3HG2  ILE  75          3HG2      ILE  75  -5.420   0.940  -3.943
  623   1HD1  ILE  75          1HD1      ILE  75  -4.185   4.712  -3.843
  624   2HD1  ILE  75          2HD1      ILE  75  -3.504   3.699  -5.114
  625   3HD1  ILE  75          3HD1      ILE  75  -3.950   2.986  -3.564
  626    H    ARG  76           H        ARG  76  -8.316   4.823  -5.843
  627    HA   ARG  76           HA       ARG  76  -9.762   2.680  -7.368
  628   1HB   ARG  76          2HB       ARG  76 -10.716   5.054  -6.529
  629   2HB   ARG  76          1HB       ARG  76  -9.992   5.579  -8.049
  630   1HG   ARG  76          2HG       ARG  76 -12.189   4.972  -8.660
  631   2HG   ARG  76          1HG       ARG  76 -11.227   3.563  -9.104
  632   1HD   ARG  76          2HD       ARG  76 -12.667   2.348  -7.828
  633   2HD   ARG  76          1HD       ARG  76 -11.897   3.108  -6.422
  634    HE   ARG  76           HE       ARG  76 -13.986   4.719  -7.747
  635   1HH1  ARG  76          1HH2      ARG  76 -13.125   2.518  -5.192
  636   2HH1  ARG  76          2HH2      ARG  76 -14.497   2.923  -4.222
  637   1HH2  ARG  76          1HH1      ARG  76 -15.768   5.238  -6.469
  638   2HH2  ARG  76          2HH1      ARG  76 -15.989   4.454  -4.941
  639    H    CYS  77           H        CYS  77  -7.632   1.911  -8.174
  640    HA   CYS  77           HA       CYS  77  -6.300   3.768 -10.110
  641   1HB   CYS  77          2HB       CYS  77  -5.428   1.883  -8.142
  642   2HB   CYS  77          1HB       CYS  77  -4.918   1.287  -9.721
  643    H    LEU  78           H        LEU  78  -6.135   3.184 -12.289
  644    HA   LEU  78           HA       LEU  78  -6.660   2.088 -14.306
  645   1HB   LEU  78          2HB       LEU  78  -5.939   0.096 -12.293
  646   2HB   LEU  78          1HB       LEU  78  -7.006  -0.575 -13.526
  647    HG   LEU  78           HG       LEU  78  -4.919   1.150 -14.650
  648   1HD1  LEU  78          1HD1      LEU  78  -3.099  -0.526 -14.291
  649   2HD1  LEU  78          2HD1      LEU  78  -4.141  -1.362 -13.140
  650   3HD1  LEU  78          3HD1      LEU  78  -3.590   0.278 -12.801
  651   1HD2  LEU  78          1HD2      LEU  78  -4.618  -0.974 -16.037
  652   2HD2  LEU  78          2HD2      LEU  78  -6.225  -0.251 -16.092
  653   3HD2  LEU  78          3HD2      LEU  78  -5.931  -1.671 -15.088
  654    H    GLN  79           H        GLN  79  -8.379   0.189 -15.089
  655    HA   GLN  79           HA       GLN  79 -10.999   0.796 -13.761
  656   1HB   GLN  79          2HB       GLN  79  -9.975   1.428 -16.431
  657   2HB   GLN  79          1HB       GLN  79 -11.493   0.532 -16.500
  658   1HG   GLN  79          2HG       GLN  79 -11.106   2.943 -14.712
  659   2HG   GLN  79          1HG       GLN  79 -11.716   3.070 -16.362
  660   1HE2  GLN  79          1HE2      GLN  79 -13.956   2.813 -16.603
  661   2HE2  GLN  79          2HE2      GLN  79 -14.976   2.116 -15.439
  662    H    TRP  80           H        TRP  80 -12.600  -0.767 -15.451
  663    HA   TRP  80           HA       TRP  80 -13.325  -2.993 -15.738
  664   1HB   TRP  80          2HB       TRP  80 -11.166  -2.718 -17.189
  665   2HB   TRP  80          1HB       TRP  80 -10.399  -3.710 -15.949
  666    HD1  TRP  80           HD       TRP  80 -10.667  -6.233 -16.185
  667    HE1  TRP  80           1HE      TRP  80 -12.164  -7.798 -17.583
  668    HE3  TRP  80           3HE      TRP  80 -13.767  -2.796 -18.342
  669    HZ2  TRP  80           2HZ      TRP  80 -14.383  -7.617 -19.380
  670    HZ3  TRP  80           3HZ      TRP  80 -15.562  -3.517 -19.889
  671    HH2  TRP  80           HH       TRP  80 -15.875  -5.921 -20.412
  672    H    THR  81           H        THR  81 -13.654  -2.594 -13.232
  673    HA   THR  81           HA       THR  81 -11.871  -4.052 -11.432
  674    HB   THR  81           HB       THR  81 -13.896  -3.541  -9.871
  675    HG1  THR  81           1HG      THR  81 -15.508  -2.473 -10.716
  676   1HG2  THR  81          1HG2      THR  81 -12.659  -1.148 -11.238
  677   2HG2  THR  81          2HG2      THR  81 -11.732  -2.205 -10.172
  678   3HG2  THR  81          3HG2      THR  81 -13.120  -1.317  -9.543
  679    H    THR  82           H        THR  82 -11.903  -6.213 -12.357
  680    HA   THR  82           HA       THR  82 -14.470  -7.679 -12.469
  681    HB   THR  82           HB       THR  82 -12.756  -9.539 -13.110
  682    HG1  THR  82           1HG      THR  82 -10.791  -8.916 -12.740
  683   1HG2  THR  82          1HG2      THR  82 -14.153  -8.331 -14.737
  684   2HG2  THR  82          2HG2      THR  82 -12.532  -8.599 -15.380
  685   3HG2  THR  82          3HG2      THR  82 -12.985  -7.010 -14.765
  686    H    VAL  83           H        VAL  83 -11.498  -7.630 -10.499
  687    HA   VAL  83           HA       VAL  83 -12.741  -9.625  -8.639
  688    HB   VAL  83           HB       VAL  83 -10.407  -9.993  -7.902
  689   1HG1  VAL  83          1HG1      VAL  83  -9.540 -10.942 -10.008
  690   2HG1  VAL  83          2HG1      VAL  83 -10.718  -9.997 -10.920
  691   3HG1  VAL  83          3HG1      VAL  83 -11.264 -11.271  -9.828
  692   1HG2  VAL  83          1HG2      VAL  83  -9.499  -8.133 -10.098
  693   2HG2  VAL  83          2HG2      VAL  83  -8.572  -8.774  -8.742
  694   3HG2  VAL  83          3HG2      VAL  83  -9.787  -7.527  -8.467
  695    H    ILE  84           H        ILE  84 -11.400  -9.077  -6.311
  696    HA   ILE  84           HA       ILE  84 -12.136  -6.232  -5.694
  697    HB   ILE  84           HB       ILE  84 -13.804  -7.728  -4.797
  698   1HG1  ILE  84          2HG1      ILE  84 -13.429  -7.467  -2.309
  699   2HG1  ILE  84          1HG1      ILE  84 -11.809  -6.877  -2.677
  700   1HG2  ILE  84          1HG2      ILE  84 -12.593  -9.408  -2.966
  701   2HG2  ILE  84          2HG2      ILE  84 -11.475  -9.456  -4.328
  702   3HG2  ILE  84          3HG2      ILE  84 -13.168  -9.888  -4.562
  703   1HD1  ILE  84          1HD1      ILE  84 -13.947  -5.238  -2.440
  704   2HD1  ILE  84          2HD1      ILE  84 -14.040  -5.593  -4.164
  705   3HD1  ILE  84          3HD1      ILE  84 -12.577  -4.876  -3.488
  706    H    GLU  85           H        GLU  85 -10.118  -5.255  -5.530
  707    HA   GLU  85           HA       GLU  85  -8.352  -6.124  -3.333
  708   1HB   GLU  85          2HB       GLU  85  -7.895  -6.709  -6.178
  709   2HB   GLU  85          1HB       GLU  85  -6.531  -5.895  -5.414
  710   1HG   GLU  85          2HG       GLU  85  -6.973  -7.657  -3.487
  711   2HG   GLU  85          1HG       GLU  85  -7.730  -8.569  -4.793
  712    H    ARG  86           H        ARG  86  -9.876  -3.671  -3.827
  713    HA   ARG  86           HA       ARG  86  -7.626  -1.727  -4.250
  714   1HB   ARG  86          2HB       ARG  86  -9.242  -0.247  -5.231
  715   2HB   ARG  86          1HB       ARG  86  -9.505  -1.831  -5.952
  716   1HG   ARG  86          2HG       ARG  86 -11.377  -2.239  -4.407
  717   2HG   ARG  86          1HG       ARG  86 -11.101  -0.670  -3.646
  718   1HD   ARG  86          2HD       ARG  86 -11.601   0.489  -5.740
  719   2HD   ARG  86          1HD       ARG  86 -11.769  -1.058  -6.590
  720    HE   ARG  86           HE       ARG  86 -13.701   0.090  -4.688
  721   1HH1  ARG  86          1HH2      ARG  86 -12.529  -2.761  -6.311
  722   2HH1  ARG  86          2HH2      ARG  86 -14.033  -3.603  -6.168
  723   1HH2  ARG  86          1HH1      ARG  86 -15.654  -1.016  -4.515
  724   2HH2  ARG  86          2HH1      ARG  86 -15.800  -2.614  -5.166
  725    H    THR  87           H        THR  87  -9.027  -3.105  -1.739
  726    HA   THR  87           HA       THR  87  -9.177  -0.569  -0.145
  727    HB   THR  87           HB       THR  87 -10.929  -3.025   0.210
  728    HG1  THR  87           1HG      THR  87 -12.384  -2.090  -1.038
  729   1HG2  THR  87          1HG2      THR  87 -12.317  -1.278   1.479
  730   2HG2  THR  87          2HG2      THR  87 -10.883  -0.253   1.409
  731   3HG2  THR  87          3HG2      THR  87 -10.818  -1.804   2.246
  732    H    PHE  88           H        PHE  88  -7.776  -0.658   1.593
  733    HA   PHE  88           HA       PHE  88  -7.021  -3.356   2.642
  734   1HB   PHE  88          2HB       PHE  88  -4.787  -2.945   2.302
  735   2HB   PHE  88          1HB       PHE  88  -5.412  -1.904   1.031
  736    HD1  PHE  88           1HD      PHE  88  -4.750   0.337   0.976
  737    HD2  PHE  88           2HD      PHE  88  -4.533  -1.822   4.683
  738    HE1  PHE  88           1HE      PHE  88  -3.628   2.275   2.041
  739    HE2  PHE  88           2HE      PHE  88  -3.424   0.119   5.746
  740    HZ   PHE  88           HZ       PHE  88  -2.961   2.161   4.431
  741    H    HIS  89           H        HIS  89  -6.706  -3.445   4.889
  742    HA   HIS  89           HA       HIS  89  -7.741  -1.083   6.404
  743   1HB   HIS  89          2HB       HIS  89  -7.582  -4.067   6.892
  744   2HB   HIS  89          1HB       HIS  89  -8.065  -2.933   8.151
  745    HD1  HIS  89           1HD      HIS  89 -10.450  -4.133   8.060
  746    HD2  HIS  89           2HD      HIS  89  -9.396  -2.032   4.619
  747    HE1  HIS  89           1HE      HIS  89 -12.581  -3.819   6.732
  748    H    VAL  90           H        VAL  90  -6.663  -0.454   8.378
  749    HA   VAL  90           HA       VAL  90  -3.746  -1.143   8.436
  750    HB   VAL  90           HB       VAL  90  -3.569   1.002   9.688
  751   1HG1  VAL  90          1HG1      VAL  90  -4.546   2.468   7.766
  752   2HG1  VAL  90          2HG1      VAL  90  -4.952   0.926   7.015
  753   3HG1  VAL  90          3HG1      VAL  90  -3.271   1.312   7.382
  754   1HG2  VAL  90          1HG2      VAL  90  -6.181   0.608  10.363
  755   2HG2  VAL  90          2HG2      VAL  90  -6.361   1.769   9.047
  756   3HG2  VAL  90          3HG2      VAL  90  -5.377   2.174  10.451
  757    H    ASP  91           H        ASP  91  -2.775  -1.371  10.648
  758    HA   ASP  91           HA       ASP  91  -4.418  -3.089  12.351
  759   1HB   ASP  91          2HB       ASP  91  -1.827  -3.036  11.783
  760   2HB   ASP  91          1HB       ASP  91  -1.766  -1.950  13.172
  761    H    SER  92           H        SER  92  -3.344   0.290  12.441
  762    HA   SER  92           HA       SER  92  -5.089   0.707  14.843
  763   1HB   SER  92          2HB       SER  92  -2.334   1.914  14.445
  764   2HB   SER  92          1HB       SER  92  -3.335   2.012  15.888
  765    HG   SER  92           HG       SER  92  -3.144  -0.302  16.009
  766    HA   PRO  93           HA       PRO  93  -6.528   4.247  12.640
  767   1HB   PRO  93          2HB       PRO  93  -6.867   6.078  14.662
  768   2HB   PRO  93          1HB       PRO  93  -7.968   4.710  14.396
  769   1HG   PRO  93          2HG       PRO  93  -5.725   4.979  16.347
  770   2HG   PRO  93          1HG       PRO  93  -7.340   4.287  16.575
  771   1HD   PRO  93          2HD       PRO  93  -5.160   2.744  16.202
  772   2HD   PRO  93          1HD       PRO  93  -6.766   2.275  15.597
  773    H    ASP  94           H        ASP  94  -3.984   4.874  15.058
  774    HA   ASP  94           HA       ASP  94  -2.948   7.302  13.920
  775   1HB   ASP  94          2HB       ASP  94  -1.558   5.096  15.491
  776   2HB   ASP  94          1HB       ASP  94  -1.001   6.762  15.338
  777    H    GLU  95           H        GLU  95  -2.360   3.857  13.290
  778    HA   GLU  95           HA       GLU  95  -0.068   4.110  11.576
  779   1HB   GLU  95          2HB       GLU  95  -1.505   2.095  12.711
  780   2HB   GLU  95          1HB       GLU  95  -2.117   2.009  11.059
  781   1HG   GLU  95          2HG       GLU  95   0.423   2.133  10.404
  782   2HG   GLU  95          1HG       GLU  95   0.684   1.592  12.063
  783    H    ARG  96           H        ARG  96  -3.573   3.960  10.890
  784    HA   ARG  96           HA       ARG  96  -3.523   4.146   8.061
  785   1HB   ARG  96          2HB       ARG  96  -5.628   3.738   8.862
  786   2HB   ARG  96          1HB       ARG  96  -5.353   4.664  10.330
  787   1HG   ARG  96          2HG       ARG  96  -5.428   6.517   8.148
  788   2HG   ARG  96          1HG       ARG  96  -6.813   5.438   7.990
  789   1HD   ARG  96          2HD       ARG  96  -7.306   5.849  10.442
  790   2HD   ARG  96          1HD       ARG  96  -6.070   7.114  10.408
  791    HE   ARG  96           HE       ARG  96  -8.702   7.245   9.117
  792   1HH1  ARG  96          1HH2      ARG  96  -5.423   8.367   9.007
  793   2HH1  ARG  96          2HH2      ARG  96  -5.851   9.946   8.448
  794   1HH2  ARG  96          1HH1      ARG  96  -9.257   9.306   8.391
  795   2HH2  ARG  96          2HH1      ARG  96  -8.016  10.474   8.087
  796    H    GLU  97           H        GLU  97  -3.548   6.763  10.507
  797    HA   GLU  97           HA       GLU  97  -3.589   8.980   8.694
  798   1HB   GLU  97          2HB       GLU  97  -2.211   8.789  11.391
  799   2HB   GLU  97          1HB       GLU  97  -2.880  10.237  10.644
  800   1HG   GLU  97          2HG       GLU  97  -4.963   8.294  10.750
  801   2HG   GLU  97          1HG       GLU  97  -4.200   8.335  12.334
  802    H    GLU  98           H        GLU  98  -0.865   7.185  10.156
  803    HA   GLU  98           HA       GLU  98   1.279   8.738   9.081
  804   1HB   GLU  98          2HB       GLU  98   1.222   6.888  10.881
  805   2HB   GLU  98          1HB       GLU  98   1.287   5.744   9.541
  806   1HG   GLU  98          2HG       GLU  98   3.554   6.069  10.198
  807   2HG   GLU  98          1HG       GLU  98   3.353   7.033   8.736
  808    H    TRP  99           H        TRP  99  -0.459   5.904   7.754
  809    HA   TRP  99           HA       TRP  99   1.128   5.501   5.412
  810   1HB   TRP  99          2HB       TRP  99  -1.804   5.063   6.054
  811   2HB   TRP  99          1HB       TRP  99  -1.055   4.481   4.569
  812    HD1  TRP  99           HD       TRP  99  -2.018   3.139   7.674
  813    HE1  TRP  99           1HE      TRP  99  -0.526   1.192   8.452
  814    HE3  TRP  99           3HE      TRP  99   2.017   3.853   4.626
  815    HZ2  TRP  99           2HZ      TRP  99   2.038   0.081   7.861
  816    HZ3  TRP  99           3HZ      TRP  99   3.974   2.333   4.764
  817    HH2  TRP  99           HH       TRP  99   3.983   0.455   6.373
  818    H    MET 100           H        MET 100  -1.766   7.529   5.941
  819    HA   MET 100           HA       MET 100  -2.086   8.534   3.298
  820   1HB   MET 100          2HB       MET 100  -3.404   8.743   5.628
  821   2HB   MET 100          1HB       MET 100  -2.558  10.288   5.676
  822   1HG   MET 100          2HG       MET 100  -4.048   9.419   3.202
  823   2HG   MET 100          1HG       MET 100  -4.887  10.212   4.533
  824   1HE   MET 100          1HE       MET 100  -3.419  13.622   4.879
  825   2HE   MET 100          2HE       MET 100  -2.451  12.329   5.579
  826   3HE   MET 100          3HE       MET 100  -4.208  12.227   5.625
  827    H    ARG 101           H        ARG 101  -0.127   9.779   6.023
  828    HA   ARG 101           HA       ARG 101   0.840  12.152   4.757
  829   1HB   ARG 101          2HB       ARG 101   0.933  11.469   7.197
  830   2HB   ARG 101          1HB       ARG 101   2.252  10.377   6.775
  831   1HG   ARG 101          2HG       ARG 101   3.320  12.368   7.515
  832   2HG   ARG 101          1HG       ARG 101   3.414  12.429   5.755
  833   1HD   ARG 101          2HD       ARG 101   1.653  14.033   5.608
  834   2HD   ARG 101          1HD       ARG 101   1.149  13.745   7.285
  835    HE   ARG 101           HE       ARG 101   3.901  14.525   7.274
  836   1HH1  ARG 101          1HH2      ARG 101   0.721  15.806   6.685
  837   2HH1  ARG 101          2HH2      ARG 101   1.149  17.412   7.164
  838   1HH2  ARG 101          1HH1      ARG 101   4.450  16.624   7.892
  839   2HH2  ARG 101          2HH1      ARG 101   3.254  17.876   7.843
  840    H    ALA 102           H        ALA 102   2.145   8.818   4.808
  841    HA   ALA 102           HA       ALA 102   4.582   9.387   3.386
  842   1HB   ALA 102          1HB       ALA 102   3.912   6.771   2.803
  843   2HB   ALA 102          2HB       ALA 102   2.978   7.079   4.267
  844   3HB   ALA 102          3HB       ALA 102   4.729   7.297   4.274
  845    H    ILE 103           H        ILE 103   1.365   8.283   2.271
  846    HA   ILE 103           HA       ILE 103   2.012   8.006  -0.507
  847    HB   ILE 103           HB       ILE 103  -0.582   8.713   0.918
  848   1HG1  ILE 103          2HG1      ILE 103   0.225   6.003  -0.140
  849   2HG1  ILE 103          1HG1      ILE 103   0.741   6.524   1.462
  850   1HG2  ILE 103          1HG2      ILE 103  -0.816   9.217  -1.437
  851   2HG2  ILE 103          2HG2      ILE 103  -1.624   7.680  -1.136
  852   3HG2  ILE 103          3HG2      ILE 103  -0.030   7.703  -1.889
  853   1HD1  ILE 103          1HD1      ILE 103  -1.820   7.149   1.730
  854   2HD1  ILE 103          2HD1      ILE 103  -1.269   5.495   1.989
  855   3HD1  ILE 103          3HD1      ILE 103  -2.020   5.944   0.459
  856    H    GLN 104           H        GLN 104   0.863  10.803   1.396
  857    HA   GLN 104           HA       GLN 104   0.499  12.599  -0.831
  858   1HB   GLN 104          2HB       GLN 104   0.239  12.571   2.008
  859   2HB   GLN 104          1HB       GLN 104   1.253  13.953   1.595
  860   1HG   GLN 104          2HG       GLN 104  -1.261  13.435   0.030
  861   2HG   GLN 104          1HG       GLN 104  -1.355  14.235   1.598
  862   1HE2  GLN 104          1HE2      GLN 104   0.068  14.539  -1.670
  863   2HE2  GLN 104          2HE2      GLN 104   0.344  16.211  -1.566
  864    H    MET 105           H        MET 105   3.268  12.011   1.370
  865    HA   MET 105           HA       MET 105   4.982  14.078   0.386
  866   1HB   MET 105          2HB       MET 105   5.051  11.851   2.177
  867   2HB   MET 105          1HB       MET 105   6.465  11.732   1.130
  868   1HG   MET 105          2HG       MET 105   7.450  13.541   2.072
  869   2HG   MET 105          1HG       MET 105   5.952  14.470   2.052
  870   1HE   MET 105          1HE       MET 105   5.349  14.911   5.565
  871   2HE   MET 105          2HE       MET 105   4.947  15.263   3.886
  872   3HE   MET 105          3HE       MET 105   6.583  15.554   4.473
  873    H    VAL 106           H        VAL 106   4.447  10.738  -0.729
  874    HA   VAL 106           HA       VAL 106   6.545  10.711  -2.717
  875    HB   VAL 106           HB       VAL 106   3.960   9.173  -2.306
  876   1HG1  VAL 106          1HG1      VAL 106   4.205   8.524  -4.470
  877   2HG1  VAL 106          2HG1      VAL 106   5.566   7.575  -3.870
  878   3HG1  VAL 106          3HG1      VAL 106   5.844   9.168  -4.571
  879   1HG2  VAL 106          1HG2      VAL 106   5.567   7.381  -1.618
  880   2HG2  VAL 106          2HG2      VAL 106   5.657   8.809  -0.588
  881   3HG2  VAL 106          3HG2      VAL 106   6.888   8.532  -1.819
  882    H    ALA 107           H        ALA 107   3.053  11.473  -2.853
  883    HA   ALA 107           HA       ALA 107   2.844  11.925  -5.666
  884   1HB   ALA 107          1HB       ALA 107   0.930  13.491  -4.715
  885   2HB   ALA 107          2HB       ALA 107   1.384  12.754  -3.179
  886   3HB   ALA 107          3HB       ALA 107   0.827  11.743  -4.514
  887    H    ASN 108           H        ASN 108   3.862  14.070  -3.012
  888    HA   ASN 108           HA       ASN 108   3.843  16.563  -4.376
  889   1HB   ASN 108          2HB       ASN 108   5.222  15.311  -2.052
  890   2HB   ASN 108          1HB       ASN 108   5.942  16.794  -2.681
  891   1HD2  ASN 108          1HD2      ASN 108   3.188  15.483  -0.947
  892   2HD2  ASN 108          2HD2      ASN 108   2.422  16.969  -0.658
  893    H    SER 109           H        SER 109   6.340  14.010  -4.284
  894    HA   SER 109           HA       SER 109   8.122  15.571  -6.060
  895   1HB   SER 109          2HB       SER 109   8.213  13.066  -4.436
  896   2HB   SER 109          1HB       SER 109   9.312  13.176  -5.809
  897    HG   SER 109           HG       SER 109   9.989  14.067  -3.656
  898    H    LEU 110           H        LEU 110   5.894  12.824  -6.227
  899    HA   LEU 110           HA       LEU 110   6.636  11.752  -8.767
  900   1HB   LEU 110          2HB       LEU 110   4.482  11.597  -6.822
  901   2HB   LEU 110          1HB       LEU 110   3.835  11.550  -8.460
  902    HG   LEU 110           HG       LEU 110   5.299   9.687  -9.035
  903   1HD1  LEU 110          1HD1      LEU 110   6.625  10.507  -6.531
  904   2HD1  LEU 110          2HD1      LEU 110   7.290   9.671  -7.935
  905   3HD1  LEU 110          3HD1      LEU 110   6.422   8.763  -6.698
  906   1HD2  LEU 110          1HD2      LEU 110   4.419   7.993  -7.413
  907   2HD2  LEU 110          2HD2      LEU 110   3.175   9.099  -7.997
  908   3HD2  LEU 110          3HD2      LEU 110   3.863   9.316  -6.388
  909    H    LYS 111           H        LYS 111   4.507  14.466  -7.890
  910    HA   LYS 111           HA       LYS 111   3.578  16.198  -9.177
  911   1HB   LYS 111          2HB       LYS 111   5.719  15.288 -11.135
  912   2HB   LYS 111          1HB       LYS 111   4.927  16.861 -11.125
  913   1HG   LYS 111          2HG       LYS 111   6.150  16.068  -8.549
  914   2HG   LYS 111          1HG       LYS 111   7.292  16.340  -9.863
  915   1HD   LYS 111          2HD       LYS 111   6.420  18.568 -10.241
  916   2HD   LYS 111          1HD       LYS 111   5.115  18.299  -9.085
  917   1HE   LYS 111          2HE       LYS 111   7.008  17.849  -7.359
  918   2HE   LYS 111          1HE       LYS 111   8.066  18.650  -8.535
  919   1HZ   LYS 111          1HZ       LYS 111   5.497  19.783  -7.557
  920   2HZ   LYS 111          2HZ       LYS 111   6.636  20.553  -8.557
  921   3HZ   LYS 111          3HZ       LYS 111   7.016  20.210  -6.937
  Start of MODEL   14
    1   1H    MET   1          1H        MET   1  16.730   2.784 -14.977
    2   2H    MET   1          2H        MET   1  18.352   2.531 -14.539
    3   3H    MET   1          3H        MET   1  17.873   4.018 -15.204
    4    HA   MET   1           HA       MET   1  18.144   4.308 -12.842
    5   1HB   MET   1          2HB       MET   1  16.262   5.350 -14.210
    6   2HB   MET   1          1HB       MET   1  15.206   4.092 -13.568
    7   1HG   MET   1          2HG       MET   1  16.757   5.387 -11.460
    8   2HG   MET   1          1HG       MET   1  15.767   6.541 -12.353
    9   1HE   MET   1          1HE       MET   1  13.588   7.129 -11.569
   10   2HE   MET   1          2HE       MET   1  12.277   5.956 -11.472
   11   3HE   MET   1          3HE       MET   1  13.231   6.080 -12.948
   12    H    ASN   2           H        ASN   2  18.378   3.140 -10.981
   13    HA   ASN   2           HA       ASN   2  16.344   1.183 -10.136
   14   1HB   ASN   2          2HB       ASN   2  18.201  -0.610  -9.999
   15   2HB   ASN   2          1HB       ASN   2  17.567  -0.241 -11.602
   16   1HD2  ASN   2          1HD2      ASN   2  19.242  -0.094 -13.100
   17   2HD2  ASN   2          2HD2      ASN   2  20.780   0.552 -12.786
   18    H    GLU   3           H        GLU   3  17.170   3.571  -8.886
   19    HA   GLU   3           HA       GLU   3  18.691   2.532  -6.515
   20   1HB   GLU   3          2HB       GLU   3  19.727   4.735  -6.362
   21   2HB   GLU   3          1HB       GLU   3  19.942   4.127  -8.002
   22   1HG   GLU   3          2HG       GLU   3  17.635   5.418  -8.394
   23   2HG   GLU   3          1HG       GLU   3  18.208   6.358  -7.018
   24    H    VAL   4           H        VAL   4  15.819   2.448  -6.785
   25    HA   VAL   4           HA       VAL   4  14.726   4.736  -5.272
   26    HB   VAL   4           HB       VAL   4  13.700   2.233  -6.596
   27   1HG1  VAL   4          1HG1      VAL   4  12.491   2.280  -4.474
   28   2HG1  VAL   4          2HG1      VAL   4  11.415   2.807  -5.767
   29   3HG1  VAL   4          3HG1      VAL   4  12.137   3.995  -4.684
   30   1HG2  VAL   4          1HG2      VAL   4  12.499   3.763  -7.956
   31   2HG2  VAL   4          2HG2      VAL   4  14.074   4.521  -7.726
   32   3HG2  VAL   4          3HG2      VAL   4  12.685   5.072  -6.790
   33    H    SER   5           H        SER   5  14.580   4.764  -3.067
   34    HA   SER   5           HA       SER   5  15.184   2.253  -1.557
   35   1HB   SER   5          2HB       SER   5  15.331   5.220  -0.994
   36   2HB   SER   5          1HB       SER   5  15.443   4.038   0.307
   37    HG   SER   5           HG       SER   5  17.506   4.435  -0.416
   38    H    VAL   6           H        VAL   6  13.934   2.265   0.687
   39    HA   VAL   6           HA       VAL   6  11.061   2.336   0.042
   40    HB   VAL   6           HB       VAL   6  12.731   1.452   2.409
   41   1HG1  VAL   6          1HG1      VAL   6   9.726   1.587   2.097
   42   2HG1  VAL   6          2HG1      VAL   6  10.709   2.179   3.436
   43   3HG1  VAL   6          3HG1      VAL   6  10.498   0.444   3.197
   44   1HG2  VAL   6          1HG2      VAL   6  12.840  -0.077   0.563
   45   2HG2  VAL   6          2HG2      VAL   6  11.107   0.062   0.263
   46   3HG2  VAL   6          3HG2      VAL   6  11.690  -0.770   1.706
   47    H    ILE   7           H        ILE   7   9.620   3.858   0.762
   48    HA   ILE   7           HA       ILE   7  10.670   6.276   2.103
   49    HB   ILE   7           HB       ILE   7   7.992   5.471   0.912
   50   1HG1  ILE   7          2HG1      ILE   7   9.605   5.743  -0.829
   51   2HG1  ILE   7          1HG1      ILE   7   8.693   7.248  -0.790
   52   1HG2  ILE   7          1HG2      ILE   7   8.911   8.066   2.161
   53   2HG2  ILE   7          2HG2      ILE   7   7.486   7.109   2.567
   54   3HG2  ILE   7          3HG2      ILE   7   7.554   7.984   1.038
   55   1HD1  ILE   7          1HD1      ILE   7  10.857   8.082  -0.837
   56   2HD1  ILE   7          2HD1      ILE   7  11.515   6.715   0.061
   57   3HD1  ILE   7          3HD1      ILE   7  10.609   7.971   0.906
   58    H    LYS   8           H        LYS   8   8.056   3.878   2.634
   59    HA   LYS   8           HA       LYS   8   8.433   4.136   5.566
   60   1HB   LYS   8          2HB       LYS   8   6.570   5.687   4.204
   61   2HB   LYS   8          1HB       LYS   8   5.611   4.326   4.787
   62   1HG   LYS   8          2HG       LYS   8   7.290   5.005   6.936
   63   2HG   LYS   8          1HG       LYS   8   6.734   6.546   6.286
   64   1HD   LYS   8          2HD       LYS   8   4.552   4.638   6.379
   65   2HD   LYS   8          1HD       LYS   8   5.297   4.807   7.969
   66   1HE   LYS   8          2HE       LYS   8   4.492   6.922   8.233
   67   2HE   LYS   8          1HE       LYS   8   4.933   7.380   6.577
   68   1HZ   LYS   8          1HZ       LYS   8   2.549   5.851   7.466
   69   2HZ   LYS   8          2HZ       LYS   8   3.051   5.906   5.840
   70   3HZ   LYS   8          3HZ       LYS   8   2.586   7.332   6.637
   71    H    GLU   9           H        GLU   9   7.967   2.195   6.585
   72    HA   GLU   9           HA       GLU   9   6.534   0.085   4.997
   73   1HB   GLU   9          2HB       GLU   9   8.240  -1.495   5.980
   74   2HB   GLU   9          1HB       GLU   9   8.924  -0.305   4.874
   75   1HG   GLU   9          2HG       GLU   9  10.183   0.630   6.504
   76   2HG   GLU   9          1HG       GLU   9   8.833   0.665   7.636
   77    H    GLY  10           H        GLY  10   5.103  -1.178   6.195
   78   1HA   GLY  10          2HA       GLY  10   5.187  -1.346   9.094
   79   2HA   GLY  10          1HA       GLY  10   3.911  -0.264   8.540
   80    H    TRP  11           H        TRP  11   3.138  -2.516   9.902
   81    HA   TRP  11           HA       TRP  11   2.498  -4.668   7.977
   82   1HB   TRP  11          2HB       TRP  11   2.044  -4.138  10.918
   83   2HB   TRP  11          1HB       TRP  11   1.285  -5.510  10.111
   84    HD1  TRP  11           HD       TRP  11   4.673  -4.155  11.195
   85    HE1  TRP  11           1HE      TRP  11   6.415  -6.045  11.050
   86    HE3  TRP  11           3HE      TRP  11   1.886  -7.756   8.879
   87    HZ2  TRP  11           2HZ      TRP  11   6.605  -8.728  10.087
   88    HZ3  TRP  11           3HZ      TRP  11   2.875  -9.968   8.357
   89    HH2  TRP  11           HH       TRP  11   5.233 -10.457   8.957
   90    H    LEU  12           H        LEU  12   0.496  -4.940   7.011
   91    HA   LEU  12           HA       LEU  12  -1.717  -3.073   7.811
   92   1HB   LEU  12          2HB       LEU  12  -0.670  -3.798   5.053
   93   2HB   LEU  12          1HB       LEU  12  -2.179  -2.929   5.324
   94    HG   LEU  12           HG       LEU  12   0.561  -2.004   6.246
   95   1HD1  LEU  12          1HD1      LEU  12  -1.206  -0.750   4.140
   96   2HD1  LEU  12          2HD1      LEU  12   0.018  -1.952   3.734
   97   3HD1  LEU  12          3HD1      LEU  12   0.494  -0.422   4.472
   98   1HD2  LEU  12          1HD2      LEU  12  -0.651  -0.736   7.680
   99   2HD2  LEU  12          2HD2      LEU  12  -2.171  -1.211   6.923
  100   3HD2  LEU  12          3HD2      LEU  12  -1.238   0.130   6.260
  101    H    HIS  13           H        HIS  13  -3.851  -3.940   7.470
  102    HA   HIS  13           HA       HIS  13  -3.934  -6.919   7.369
  103   1HB   HIS  13          2HB       HIS  13  -5.411  -4.720   8.644
  104   2HB   HIS  13          1HB       HIS  13  -6.468  -5.956   7.960
  105    HD1  HIS  13           1HD      HIS  13  -6.673  -8.124   9.232
  106    HD2  HIS  13           2HD      HIS  13  -3.437  -5.837  10.531
  107    HE1  HIS  13           1HE      HIS  13  -5.737  -9.297  11.273
  108    H    LYS  14           H        LYS  14  -4.539  -7.888   5.489
  109    HA   LYS  14           HA       LYS  14  -6.299  -6.367   3.588
  110   1HB   LYS  14          2HB       LYS  14  -3.899  -6.601   2.905
  111   2HB   LYS  14          1HB       LYS  14  -4.088  -8.353   2.969
  112   1HG   LYS  14          2HG       LYS  14  -5.465  -8.413   1.098
  113   2HG   LYS  14          1HG       LYS  14  -6.034  -6.761   1.336
  114   1HD   LYS  14          2HD       LYS  14  -4.294  -5.856   0.174
  115   2HD   LYS  14          1HD       LYS  14  -3.130  -7.009   0.828
  116   1HE   LYS  14          2HE       LYS  14  -3.235  -7.656  -1.435
  117   2HE   LYS  14          1HE       LYS  14  -4.436  -8.737  -0.701
  118   1HZ   LYS  14          1HZ       LYS  14  -6.081  -6.864  -1.113
  119   2HZ   LYS  14          2HZ       LYS  14  -5.551  -7.719  -2.483
  120   3HZ   LYS  14          3HZ       LYS  14  -4.907  -6.185  -2.135
  121    H    ARG  15           H        ARG  15  -8.099  -7.491   2.868
  122    HA   ARG  15           HA       ARG  15  -8.982  -9.880   4.187
  123   1HB   ARG  15          2HB       ARG  15 -10.293  -7.997   3.026
  124   2HB   ARG  15          1HB       ARG  15  -9.925  -8.823   1.512
  125   1HG   ARG  15          2HG       ARG  15 -10.828 -10.879   3.147
  126   2HG   ARG  15          1HG       ARG  15 -11.869  -9.527   3.590
  127   1HD   ARG  15          2HD       ARG  15 -11.407  -9.868   0.674
  128   2HD   ARG  15          1HD       ARG  15 -12.381 -11.127   1.453
  129    HE   ARG  15           HE       ARG  15 -13.095  -8.273   1.239
  130   1HH1  ARG  15          1HH2      ARG  15 -13.642 -11.351   2.773
  131   2HH1  ARG  15          2HH2      ARG  15 -15.239 -10.941   3.295
  132   1HH2  ARG  15          1HH1      ARG  15 -15.179  -7.749   1.933
  133   2HH2  ARG  15          2HH1      ARG  15 -16.105  -8.909   2.825
  134    H    GLY  16           H        GLY  16  -9.037 -12.051   3.441
  135   1HA   GLY  16          2HA       GLY  16  -6.945 -12.788   1.522
  136   2HA   GLY  16          1HA       GLY  16  -7.956 -13.910   2.435
  137    H    GLU  17           H        GLU  17  -9.510 -14.965   1.285
  138    HA   GLU  17           HA       GLU  17 -10.654 -13.659  -1.146
  139   1HB   GLU  17          2HB       GLU  17  -8.729 -15.054  -1.813
  140   2HB   GLU  17          1HB       GLU  17  -9.426 -16.435  -0.969
  141   1HG   GLU  17          2HG       GLU  17 -10.135 -16.831  -3.155
  142   2HG   GLU  17          1HG       GLU  17 -11.515 -15.950  -2.501
  143    H    TYR  18           H        TYR  18 -10.904 -16.992   0.132
  144    HA   TYR  18           HA       TYR  18 -13.859 -16.631   0.315
  145   1HB   TYR  18          2HB       TYR  18 -13.899 -19.075   0.214
  146   2HB   TYR  18          1HB       TYR  18 -12.864 -18.455  -1.069
  147    HD1  TYR  18           1HD      TYR  18 -10.521 -18.950  -1.130
  148    HD2  TYR  18           2HD      TYR  18 -12.866 -20.012   2.310
  149    HE1  TYR  18           1HE      TYR  18  -8.636 -20.303  -0.262
  150    HE2  TYR  18           2HE      TYR  18 -10.979 -21.364   3.178
  151    HH   TYR  18           HH       TYR  18  -8.760 -22.581   1.704
  152    H    ILE  19           H        ILE  19 -11.149 -16.623   2.383
  153    HA   ILE  19           HA       ILE  19 -12.289 -17.988   4.678
  154    HB   ILE  19           HB       ILE  19  -9.852 -17.588   4.196
  155   1HG1  ILE  19          2HG1      ILE  19 -10.746 -16.353   6.819
  156   2HG1  ILE  19          1HG1      ILE  19 -10.781 -18.088   6.501
  157   1HG2  ILE  19          1HG2      ILE  19 -10.478 -15.070   3.589
  158   2HG2  ILE  19          2HG2      ILE  19  -8.895 -15.476   4.248
  159   3HG2  ILE  19          3HG2      ILE  19 -10.144 -14.819   5.302
  160   1HD1  ILE  19          1HD1      ILE  19  -8.580 -18.264   6.931
  161   2HD1  ILE  19          2HD1      ILE  19  -8.586 -16.570   7.421
  162   3HD1  ILE  19          3HD1      ILE  19  -8.208 -17.004   5.755
  163    H    LYS  20           H        LYS  20 -12.755 -14.826   3.302
  164    HA   LYS  20           HA       LYS  20 -14.035 -12.981   4.010
  165   1HB   LYS  20          2HB       LYS  20 -15.374 -15.286   4.603
  166   2HB   LYS  20          1HB       LYS  20 -15.276 -14.547   6.202
  167   1HG   LYS  20          2HG       LYS  20 -16.573 -12.729   5.597
  168   2HG   LYS  20          1HG       LYS  20 -16.089 -12.813   3.904
  169   1HD   LYS  20          2HD       LYS  20 -18.292 -13.593   3.814
  170   2HD   LYS  20          1HD       LYS  20 -17.374 -15.096   3.917
  171   1HE   LYS  20          2HE       LYS  20 -17.709 -15.083   6.404
  172   2HE   LYS  20          1HE       LYS  20 -18.752 -13.659   6.215
  173   1HZ   LYS  20          1HZ       LYS  20 -20.045 -15.720   6.158
  174   2HZ   LYS  20          2HZ       LYS  20 -19.133 -16.269   4.836
  175   3HZ   LYS  20          3HZ       LYS  20 -20.133 -14.904   4.674
  176    H    THR  21           H        THR  21 -11.418 -13.209   5.154
  177    HA   THR  21           HA       THR  21 -11.849 -11.743   7.709
  178    HB   THR  21           HB       THR  21  -9.975 -14.113   7.371
  179    HG1  THR  21           1HG      THR  21 -12.518 -13.859   8.597
  180   1HG2  THR  21          1HG2      THR  21 -10.657 -12.283   9.669
  181   2HG2  THR  21          2HG2      THR  21  -9.066 -12.698   9.032
  182   3HG2  THR  21          3HG2      THR  21  -9.992 -13.893   9.939
  183    H    TRP  22           H        TRP  22  -9.899 -10.495   8.319
  184    HA   TRP  22           HA       TRP  22  -8.261  -9.778   5.929
  185   1HB   TRP  22          2HB       TRP  22  -8.935  -8.404   8.549
  186   2HB   TRP  22          1HB       TRP  22  -7.805  -7.732   7.372
  187    HD1  TRP  22           HD       TRP  22 -11.485  -8.867   7.608
  188    HE1  TRP  22           1HE      TRP  22 -12.862  -7.524   5.895
  189    HE3  TRP  22           3HE      TRP  22  -7.744  -6.243   5.330
  190    HZ2  TRP  22           2HZ      TRP  22 -12.437  -5.591   3.832
  191    HZ3  TRP  22           3HZ      TRP  22  -8.257  -4.658   3.496
  192    HH2  TRP  22           HH       TRP  22 -10.597  -4.329   2.744
  193    H    ARG  23           H        ARG  23  -6.142 -10.388   5.870
  194    HA   ARG  23           HA       ARG  23  -4.887 -11.423   8.383
  195   1HB   ARG  23          2HB       ARG  23  -4.599 -11.964   5.432
  196   2HB   ARG  23          1HB       ARG  23  -3.302 -12.408   6.540
  197   1HG   ARG  23          2HG       ARG  23  -6.192 -13.309   6.739
  198   2HG   ARG  23          1HG       ARG  23  -4.834 -14.304   6.217
  199   1HD   ARG  23          2HD       ARG  23  -3.761 -13.883   8.479
  200   2HD   ARG  23          1HD       ARG  23  -5.280 -13.119   8.977
  201    HE   ARG  23           HE       ARG  23  -6.378 -15.237   8.835
  202   1HH1  ARG  23          1HH2      ARG  23  -3.081 -15.373   7.723
  203   2HH1  ARG  23          2HH2      ARG  23  -3.031 -17.102   7.724
  204   1HH2  ARG  23          1HH1      ARG  23  -6.301 -17.484   8.820
  205   2HH2  ARG  23          2HH1      ARG  23  -4.846 -18.293   8.342
  206    HA   PRO  24           HA       PRO  24  -2.275  -7.838   8.262
  207   1HB   PRO  24          2HB       PRO  24  -0.456  -8.660  10.134
  208   2HB   PRO  24          1HB       PRO  24  -2.077  -8.070  10.550
  209   1HG   PRO  24          2HG       PRO  24  -1.065 -10.861  10.381
  210   2HG   PRO  24          1HG       PRO  24  -2.196 -10.137  11.534
  211   1HD   PRO  24          2HD       PRO  24  -2.971 -11.697   9.432
  212   2HD   PRO  24          1HD       PRO  24  -3.995 -10.439  10.157
  213    H    ARG  25           H        ARG  25  -0.549  -7.318   6.965
  214    HA   ARG  25           HA       ARG  25   1.509  -9.396   6.344
  215   1HB   ARG  25          2HB       ARG  25  -0.106  -7.732   4.382
  216   2HB   ARG  25          1HB       ARG  25   1.231  -8.791   3.939
  217   1HG   ARG  25          2HG       ARG  25  -0.338 -10.474   5.443
  218   2HG   ARG  25          1HG       ARG  25  -1.548  -9.471   4.645
  219   1HD   ARG  25          2HD       ARG  25   0.622 -10.347   2.849
  220   2HD   ARG  25          1HD       ARG  25  -0.360 -11.674   3.493
  221    HE   ARG  25           HE       ARG  25  -1.301  -9.567   1.695
  222   1HH1  ARG  25          1HH2      ARG  25  -2.186 -11.837   4.178
  223   2HH1  ARG  25          2HH2      ARG  25  -3.821 -11.978   3.633
  224   1HH2  ARG  25          1HH1      ARG  25  -3.444  -9.764   0.995
  225   2HH2  ARG  25          2HH1      ARG  25  -4.532 -10.812   1.843
  226    H    TYR  26           H        TYR  26   3.571  -8.497   5.946
  227    HA   TYR  26           HA       TYR  26   4.048  -5.797   6.906
  228   1HB   TYR  26          2HB       TYR  26   5.713  -7.445   7.327
  229   2HB   TYR  26          1HB       TYR  26   5.687  -8.017   5.661
  230    HD1  TYR  26           1HD      TYR  26   7.469  -7.402   4.320
  231    HD2  TYR  26           2HD      TYR  26   6.272  -4.786   7.511
  232    HE1  TYR  26           1HE      TYR  26   9.316  -5.857   3.744
  233    HE2  TYR  26           2HE      TYR  26   8.122  -3.238   6.932
  234    HH   TYR  26           HH       TYR  26   9.486  -2.832   4.518
  235    H    PHE  27           H        PHE  27   3.275  -4.159   5.600
  236    HA   PHE  27           HA       PHE  27   3.786  -4.306   2.652
  237   1HB   PHE  27          2HB       PHE  27   1.679  -3.295   4.440
  238   2HB   PHE  27          1HB       PHE  27   2.121  -2.155   3.168
  239    HD1  PHE  27           1HD      PHE  27   0.675  -5.452   3.912
  240    HD2  PHE  27           2HD      PHE  27   1.847  -2.734   0.797
  241    HE1  PHE  27           1HE      PHE  27  -0.621  -6.777   2.264
  242    HE2  PHE  27           2HE      PHE  27   0.552  -4.060  -0.850
  243    HZ   PHE  27           HZ       PHE  27  -0.684  -6.082  -0.116
  244    H    LEU  28           H        LEU  28   4.979  -2.641   1.649
  245    HA   LEU  28           HA       LEU  28   5.924  -0.383   3.358
  246   1HB   LEU  28          2HB       LEU  28   8.258  -0.877   2.636
  247   2HB   LEU  28          1HB       LEU  28   7.557  -2.191   3.578
  248    HG   LEU  28           HG       LEU  28   7.004  -2.477   0.730
  249   1HD1  LEU  28          1HD1      LEU  28   9.877  -2.316   1.671
  250   2HD1  LEU  28          2HD1      LEU  28   9.125  -1.404   0.363
  251   3HD1  LEU  28          3HD1      LEU  28   9.390  -3.139   0.188
  252   1HD2  LEU  28          1HD2      LEU  28   7.290  -4.702   1.232
  253   2HD2  LEU  28          2HD2      LEU  28   7.078  -4.108   2.879
  254   3HD2  LEU  28          3HD2      LEU  28   8.700  -4.396   2.248
  255    H    LEU  29           H        LEU  29   6.181   1.512   2.230
  256    HA   LEU  29           HA       LEU  29   5.497   1.498  -0.675
  257   1HB   LEU  29          2HB       LEU  29   4.211   2.863   0.975
  258   2HB   LEU  29          1HB       LEU  29   5.693   3.729   1.381
  259    HG   LEU  29           HG       LEU  29   5.795   4.148  -1.229
  260   1HD1  LEU  29          1HD1      LEU  29   3.812   2.696  -1.675
  261   2HD1  LEU  29          2HD1      LEU  29   3.580   4.352  -2.233
  262   3HD1  LEU  29          3HD1      LEU  29   2.821   3.812  -0.736
  263   1HD2  LEU  29          1HD2      LEU  29   3.975   6.083  -0.645
  264   2HD2  LEU  29          2HD2      LEU  29   5.647   6.125  -0.087
  265   3HD2  LEU  29          3HD2      LEU  29   4.376   5.530   0.980
  266    H    LYS  30           H        LYS  30   7.078   1.984  -2.185
  267    HA   LYS  30           HA       LYS  30   9.797   2.676  -1.178
  268   1HB   LYS  30          2HB       LYS  30   8.751   1.703  -3.855
  269   2HB   LYS  30          1HB       LYS  30  10.456   1.926  -3.460
  270   1HG   LYS  30          2HG       LYS  30   9.787   0.382  -1.380
  271   2HG   LYS  30          1HG       LYS  30   8.549  -0.167  -2.510
  272   1HD   LYS  30          2HD       LYS  30  11.443   0.017  -3.343
  273   2HD   LYS  30          1HD       LYS  30  10.822  -1.412  -2.517
  274   1HE   LYS  30          2HE       LYS  30   9.225  -1.842  -4.271
  275   2HE   LYS  30          1HE       LYS  30   9.553  -0.272  -5.031
  276   1HZ   LYS  30          1HZ       LYS  30  11.651  -2.325  -4.573
  277   2HZ   LYS  30          2HZ       LYS  30  11.766  -0.914  -5.516
  278   3HZ   LYS  30          3HZ       LYS  30  10.783  -2.203  -6.024
  279    H    SER  31           H        SER  31  11.087   4.159  -2.695
  280    HA   SER  31           HA       SER  31   9.758   6.734  -2.908
  281   1HB   SER  31          2HB       SER  31  12.278   5.908  -2.511
  282   2HB   SER  31          1HB       SER  31  12.361   6.151  -4.254
  283    HG   SER  31           HG       SER  31  12.801   8.005  -2.738
  284    H    ASP  32           H        ASP  32   9.779   4.062  -5.015
  285    HA   ASP  32           HA       ASP  32   9.771   5.586  -7.536
  286   1HB   ASP  32          2HB       ASP  32  10.727   3.365  -7.469
  287   2HB   ASP  32          1HB       ASP  32   9.273   2.703  -6.727
  288    H    GLY  33           H        GLY  33   7.486   4.837  -5.085
  289   1HA   GLY  33          2HA       GLY  33   5.232   5.668  -5.065
  290   2HA   GLY  33          1HA       GLY  33   5.270   5.745  -6.830
  291    H    SER  34           H        SER  34   6.267   3.004  -4.814
  292    HA   SER  34           HA       SER  34   3.937   1.438  -5.861
  293   1HB   SER  34          2HB       SER  34   5.909  -0.406  -5.870
  294   2HB   SER  34          1HB       SER  34   5.569   0.615  -7.262
  295    HG   SER  34           HG       SER  34   7.376   1.668  -6.928
  296    H    PHE  35           H        PHE  35   3.249  -0.266  -4.481
  297    HA   PHE  35           HA       PHE  35   4.278  -0.111  -1.665
  298   1HB   PHE  35          2HB       PHE  35   1.716   0.164  -2.864
  299   2HB   PHE  35          1HB       PHE  35   1.692  -1.365  -1.988
  300    HD1  PHE  35           1HD      PHE  35   3.270  -1.021   0.350
  301    HD2  PHE  35           2HD      PHE  35   0.764   1.867  -1.607
  302    HE1  PHE  35           1HE      PHE  35   3.012   0.206   2.487
  303    HE2  PHE  35           2HE      PHE  35   0.506   3.093   0.528
  304    HZ   PHE  35           HZ       PHE  35   1.630   2.264   2.580
  305    H    ILE  36           H        ILE  36   5.376  -1.937  -1.024
  306    HA   ILE  36           HA       ILE  36   4.918  -4.485  -2.532
  307    HB   ILE  36           HB       ILE  36   7.131  -3.732  -0.589
  308   1HG1  ILE  36          2HG1      ILE  36   7.218  -2.117  -2.390
  309   2HG1  ILE  36          1HG1      ILE  36   8.480  -3.311  -2.686
  310   1HG2  ILE  36          1HG2      ILE  36   7.171  -5.753  -2.836
  311   2HG2  ILE  36          2HG2      ILE  36   6.692  -6.175  -1.192
  312   3HG2  ILE  36          3HG2      ILE  36   8.321  -5.582  -1.511
  313   1HD1  ILE  36          1HD1      ILE  36   5.891  -2.887  -4.138
  314   2HD1  ILE  36          2HD1      ILE  36   6.564  -4.516  -4.068
  315   3HD1  ILE  36          3HD1      ILE  36   7.498  -3.206  -4.789
  316    H    GLY  37           H        GLY  37   3.715  -6.026  -1.519
  317   1HA   GLY  37          2HA       GLY  37   3.371  -5.835   1.446
  318   2HA   GLY  37          1HA       GLY  37   2.158  -6.488   0.348
  319    H    TYR  38           H        TYR  38   4.248  -7.437   2.618
  320    HA   TYR  38           HA       TYR  38   4.949 -10.021   1.254
  321   1HB   TYR  38          2HB       TYR  38   6.320  -8.150   3.053
  322   2HB   TYR  38          1HB       TYR  38   6.420  -9.821   3.604
  323    HD1  TYR  38           1HD      TYR  38   7.638 -11.489   2.359
  324    HD2  TYR  38           2HD      TYR  38   7.197  -7.502   0.825
  325    HE1  TYR  38           1HE      TYR  38   9.365 -11.958   0.644
  326    HE2  TYR  38           2HE      TYR  38   8.924  -7.972  -0.891
  327    HH   TYR  38           HH       TYR  38  11.002  -9.765  -0.969
  328    H    LYS  39           H        LYS  39   4.725 -11.970   2.598
  329    HA   LYS  39           HA       LYS  39   2.304 -11.941   4.256
  330   1HB   LYS  39          2HB       LYS  39   2.853 -13.753   2.666
  331   2HB   LYS  39          1HB       LYS  39   4.326 -14.105   3.568
  332   1HG   LYS  39          2HG       LYS  39   2.175 -14.100   5.436
  333   2HG   LYS  39          1HG       LYS  39   1.665 -15.067   4.054
  334   1HD   LYS  39          2HD       LYS  39   4.444 -15.508   5.025
  335   2HD   LYS  39          1HD       LYS  39   3.145 -16.083   6.070
  336   1HE   LYS  39          2HE       LYS  39   2.676 -16.749   3.248
  337   2HE   LYS  39          1HE       LYS  39   4.163 -17.473   3.890
  338   1HZ   LYS  39          1HZ       LYS  39   1.498 -17.565   5.210
  339   2HZ   LYS  39          2HZ       LYS  39   2.928 -18.261   5.807
  340   3HZ   LYS  39          3HZ       LYS  39   2.222 -18.856   4.381
  341    H    GLU  40           H        GLU  40   5.783 -12.556   4.780
  342    HA   GLU  40           HA       GLU  40   5.333 -12.207   7.729
  343   1HB   GLU  40          2HB       GLU  40   6.153 -14.460   6.334
  344   2HB   GLU  40          1HB       GLU  40   7.681 -13.752   6.857
  345   1HG   GLU  40          2HG       GLU  40   6.138 -13.503   9.122
  346   2HG   GLU  40          1HG       GLU  40   5.564 -15.030   8.454
  347    H    ARG  41           H        ARG  41   8.229 -12.292   8.203
  348    HA   ARG  41           HA       ARG  41   9.001  -9.639   7.025
  349   1HB   ARG  41          2HB       ARG  41   8.796 -10.706   9.728
  350   2HB   ARG  41          1HB       ARG  41  10.416 -10.084   9.412
  351   1HG   ARG  41          2HG       ARG  41   7.851  -8.560   8.878
  352   2HG   ARG  41          1HG       ARG  41   8.881  -8.325  10.289
  353   1HD   ARG  41          2HD       ARG  41   9.824  -7.985   7.416
  354   2HD   ARG  41          1HD       ARG  41   9.342  -6.649   8.478
  355    HE   ARG  41           HE       ARG  41  11.805  -8.221   8.707
  356   1HH1  ARG  41          1HH2      ARG  41   9.457  -6.241  10.352
  357   2HH1  ARG  41          2HH2      ARG  41  10.556  -5.772  11.603
  358   1HH2  ARG  41          1HH1      ARG  41  13.223  -7.604  10.338
  359   2HH2  ARG  41          2HH1      ARG  41  12.684  -6.541  11.596
  360    HA   PRO  42           HA       PRO  42  12.197 -12.917   5.968
  361   1HB   PRO  42          2HB       PRO  42  12.090 -12.649   3.248
  362   2HB   PRO  42          1HB       PRO  42  11.057 -13.777   4.146
  363   1HG   PRO  42          2HG       PRO  42  10.413 -11.100   3.026
  364   2HG   PRO  42          1HG       PRO  42   9.416 -12.559   3.110
  365   1HD   PRO  42          2HD       PRO  42   9.155 -10.434   4.812
  366   2HD   PRO  42          1HD       PRO  42   8.695 -12.100   5.224
  367    H    GLU  43           H        GLU  43  14.370 -12.366   5.358
  368    HA   GLU  43           HA       GLU  43  14.825  -9.529   4.499
  369   1HB   GLU  43          2HB       GLU  43  15.481 -10.917   6.993
  370   2HB   GLU  43          1HB       GLU  43  16.901 -10.183   6.246
  371   1HG   GLU  43          2HG       GLU  43  16.187  -8.080   6.692
  372   2HG   GLU  43          1HG       GLU  43  14.536  -8.442   6.187
  373    H    ALA  44           H        ALA  44  16.336 -12.758   4.925
  374    HA   ALA  44           HA       ALA  44  17.849 -13.926   3.542
  375   1HB   ALA  44          1HB       ALA  44  17.844 -11.860   1.425
  376   2HB   ALA  44          2HB       ALA  44  16.246 -12.459   1.867
  377   3HB   ALA  44          3HB       ALA  44  17.486 -13.583   1.315
  378    HA   PRO  45           HA       PRO  45  21.755 -12.009   4.140
  379   1HB   PRO  45          2HB       PRO  45  23.283 -13.033   2.115
  380   2HB   PRO  45          1HB       PRO  45  22.754 -13.992   3.510
  381   1HG   PRO  45          2HG       PRO  45  21.687 -13.932   0.741
  382   2HG   PRO  45          1HG       PRO  45  21.839 -15.290   1.867
  383   1HD   PRO  45          2HD       PRO  45  19.490 -13.954   1.349
  384   2HD   PRO  45          1HD       PRO  45  19.818 -14.875   2.832
  385    H    ASP  46           H        ASP  46  20.854 -11.927   0.657
  386    HA   ASP  46           HA       ASP  46  22.006  -9.157   0.518
  387   1HB   ASP  46          2HB       ASP  46  21.692 -11.363  -1.547
  388   2HB   ASP  46          1HB       ASP  46  22.236  -9.731  -1.937
  389    H    GLN  47           H        GLN  47  19.731 -10.961  -1.581
  390    HA   GLN  47           HA       GLN  47  17.416  -9.365  -0.814
  391   1HB   GLN  47          2HB       GLN  47  19.324  -8.343  -2.721
  392   2HB   GLN  47          1HB       GLN  47  17.790  -8.636  -3.541
  393   1HG   GLN  47          2HG       GLN  47  17.458  -7.398  -0.901
  394   2HG   GLN  47          1HG       GLN  47  18.389  -6.401  -2.018
  395   1HE2  GLN  47          1HE2      GLN  47  15.334  -8.335  -1.943
  396   2HE2  GLN  47          2HE2      GLN  47  14.483  -7.291  -2.976
  397    H    THR  48           H        THR  48  17.793 -12.145  -1.060
  398    HA   THR  48           HA       THR  48  16.485 -12.918  -3.627
  399    HB   THR  48           HB       THR  48  18.581 -14.019  -2.766
  400    HG1  THR  48           1HG      THR  48  17.613 -15.374  -4.072
  401   1HG2  THR  48          1HG2      THR  48  17.115 -14.076  -0.356
  402   2HG2  THR  48          2HG2      THR  48  18.718 -14.751  -0.647
  403   3HG2  THR  48          3HG2      THR  48  17.286 -15.756  -0.863
  404    H    LEU  49           H        LEU  49  14.731 -11.542  -2.166
  405    HA   LEU  49           HA       LEU  49  13.084 -13.504  -0.615
  406   1HB   LEU  49          2HB       LEU  49  13.117 -10.472  -0.767
  407   2HB   LEU  49          1HB       LEU  49  11.995 -11.402   0.226
  408    HG   LEU  49           HG       LEU  49  15.019 -11.470   0.455
  409   1HD1  LEU  49          1HD1      LEU  49  13.496 -10.597   2.777
  410   2HD1  LEU  49          2HD1      LEU  49  13.194  -9.562   1.384
  411   3HD1  LEU  49          3HD1      LEU  49  14.841  -9.802   1.963
  412   1HD2  LEU  49          1HD2      LEU  49  12.811 -13.101   1.596
  413   2HD2  LEU  49          2HD2      LEU  49  14.053 -12.585   2.736
  414   3HD2  LEU  49          3HD2      LEU  49  14.498 -13.531   1.317
  415    HA   PRO  50           HA       PRO  50  10.320 -13.329  -4.117
  416   1HB   PRO  50          2HB       PRO  50   8.519 -15.158  -3.178
  417   2HB   PRO  50          1HB       PRO  50  10.091 -15.616  -3.862
  418   1HG   PRO  50          2HG       PRO  50   9.205 -15.559  -1.049
  419   2HG   PRO  50          1HG       PRO  50  10.423 -16.572  -1.833
  420   1HD   PRO  50          2HD       PRO  50  10.904 -14.318  -0.231
  421   2HD   PRO  50          1HD       PRO  50  12.085 -15.160  -1.255
  422    HA   PRO  51           HA       PRO  51   7.557 -10.351  -2.172
  423   1HB   PRO  51          2HB       PRO  51   6.430  -9.437  -4.497
  424   2HB   PRO  51          1HB       PRO  51   8.026  -8.917  -3.921
  425   1HG   PRO  51          2HG       PRO  51   7.331 -10.937  -5.996
  426   2HG   PRO  51          1HG       PRO  51   8.629  -9.732  -5.984
  427   1HD   PRO  51          2HD       PRO  51   9.041 -12.358  -5.423
  428   2HD   PRO  51          1HD       PRO  51  10.021 -11.049  -4.721
  429    H    LEU  52           H        LEU  52   5.397 -10.504  -1.539
  430    HA   LEU  52           HA       LEU  52   3.868 -12.855  -2.520
  431   1HB   LEU  52          2HB       LEU  52   4.269 -11.443  -0.061
  432   2HB   LEU  52          1HB       LEU  52   2.554 -11.355  -0.455
  433    HG   LEU  52           HG       LEU  52   3.075 -13.370   0.887
  434   1HD1  LEU  52          1HD1      LEU  52   1.217 -13.439  -0.737
  435   2HD1  LEU  52          2HD1      LEU  52   1.996 -15.015  -0.602
  436   3HD1  LEU  52          3HD1      LEU  52   2.332 -13.982  -1.991
  437   1HD2  LEU  52          1HD2      LEU  52   4.643 -14.366  -1.498
  438   2HD2  LEU  52          2HD2      LEU  52   4.552 -15.067   0.116
  439   3HD2  LEU  52          3HD2      LEU  52   5.428 -13.558  -0.141
  440    H    ASN  53           H        ASN  53   3.253  -9.370  -1.902
  441    HA   ASN  53           HA       ASN  53   1.352  -9.363  -4.216
  442   1HB   ASN  53          2HB       ASN  53   0.368  -9.661  -1.799
  443   2HB   ASN  53          1HB       ASN  53   0.733  -7.944  -1.630
  444   1HD2  ASN  53          1HD2      ASN  53  -1.597 -10.162  -2.823
  445   2HD2  ASN  53          2HD2      ASN  53  -2.520  -9.059  -3.725
  446    H    ASN  54           H        ASN  54   1.730  -7.583  -5.515
  447    HA   ASN  54           HA       ASN  54   3.370  -5.347  -4.354
  448   1HB   ASN  54          2HB       ASN  54   3.251  -6.647  -7.087
  449   2HB   ASN  54          1HB       ASN  54   4.069  -5.111  -6.812
  450   1HD2  ASN  54          1HD2      ASN  54   6.279  -5.390  -6.434
  451   2HD2  ASN  54          2HD2      ASN  54   6.973  -6.733  -5.662
  452    H    PHE  55           H        PHE  55   2.625  -3.260  -4.654
  453    HA   PHE  55           HA       PHE  55   0.087  -2.885  -6.223
  454   1HB   PHE  55          2HB       PHE  55   0.808  -2.438  -3.422
  455   2HB   PHE  55          1HB       PHE  55   0.178  -0.976  -4.176
  456    HD1  PHE  55           1HD      PHE  55  -0.545  -4.644  -3.883
  457    HD2  PHE  55           2HD      PHE  55  -2.133  -0.682  -4.363
  458    HE1  PHE  55           1HE      PHE  55  -2.849  -5.549  -3.726
  459    HE2  PHE  55           2HE      PHE  55  -4.437  -1.588  -4.207
  460    HZ   PHE  55           HZ       PHE  55  -4.795  -4.021  -3.887
  461    H    SER  56           H        SER  56  -0.107  -0.800  -7.269
  462    HA   SER  56           HA       SER  56   2.452   0.769  -7.417
  463   1HB   SER  56          2HB       SER  56   0.480  -0.132  -9.520
  464   2HB   SER  56          1HB       SER  56   1.596   1.197  -9.819
  465    HG   SER  56           HG       SER  56   3.132  -0.213 -10.049
  466    H    VAL  57           H        VAL  57   2.240   2.992  -7.214
  467    HA   VAL  57           HA       VAL  57  -0.466   4.218  -7.386
  468    HB   VAL  57           HB       VAL  57  -0.169   3.407  -5.078
  469   1HG1  VAL  57          1HG1      VAL  57   2.217   3.325  -4.855
  470   2HG1  VAL  57          2HG1      VAL  57   1.644   4.507  -3.679
  471   3HG1  VAL  57          3HG1      VAL  57   2.373   5.049  -5.189
  472   1HG2  VAL  57          1HG2      VAL  57   0.262   6.225  -4.474
  473   2HG2  VAL  57          2HG2      VAL  57  -1.201   5.255  -4.299
  474   3HG2  VAL  57          3HG2      VAL  57  -0.828   6.015  -5.846
  475    H    ALA  58           H        ALA  58   1.292   4.751  -9.324
  476    HA   ALA  58           HA       ALA  58   3.109   6.971  -8.685
  477   1HB   ALA  58          1HB       ALA  58   2.110   5.756 -11.287
  478   2HB   ALA  58          2HB       ALA  58   3.604   5.332 -10.448
  479   3HB   ALA  58          3HB       ALA  58   3.419   6.932 -11.168
  480    H    GLU  59           H        GLU  59   0.071   6.608 -10.551
  481    HA   GLU  59           HA       GLU  59  -0.495   9.513 -10.052
  482   1HB   GLU  59          2HB       GLU  59  -0.107   8.026 -12.506
  483   2HB   GLU  59          1HB       GLU  59  -1.754   8.653 -12.453
  484   1HG   GLU  59          2HG       GLU  59   0.663  10.370 -11.844
  485   2HG   GLU  59          1HG       GLU  59  -0.012  10.218 -13.465
  486    H    CYS  60           H        CYS  60  -1.446   7.807  -8.213
  487    HA   CYS  60           HA       CYS  60  -4.290   7.243  -8.999
  488   1HB   CYS  60          2HB       CYS  60  -2.244   5.813  -7.320
  489   2HB   CYS  60          1HB       CYS  60  -3.958   5.558  -7.002
  490    H    GLN  61           H        GLN  61  -5.442   6.878  -6.568
  491    HA   GLN  61           HA       GLN  61  -4.755   9.231  -4.861
  492   1HB   GLN  61          2HB       GLN  61  -6.424   9.823  -6.648
  493   2HB   GLN  61          1HB       GLN  61  -7.506   8.599  -5.983
  494   1HG   GLN  61          2HG       GLN  61  -6.632  10.217  -3.808
  495   2HG   GLN  61          1HG       GLN  61  -7.128  11.305  -5.105
  496   1HE2  GLN  61          1HE2      GLN  61  -8.280   8.589  -3.078
  497   2HE2  GLN  61          2HE2      GLN  61  -9.930   8.907  -3.315
  498    H    LEU  62           H        LEU  62  -5.125   8.817  -2.677
  499    HA   LEU  62           HA       LEU  62  -6.309   6.154  -1.980
  500   1HB   LEU  62          2HB       LEU  62  -3.927   7.538  -1.282
  501   2HB   LEU  62          1HB       LEU  62  -4.925   7.507   0.169
  502    HG   LEU  62           HG       LEU  62  -3.550   5.509   0.142
  503   1HD1  LEU  62          1HD1      LEU  62  -6.119   5.440   0.685
  504   2HD1  LEU  62          2HD1      LEU  62  -5.219   3.929   0.550
  505   3HD1  LEU  62          3HD1      LEU  62  -6.215   4.485  -0.795
  506   1HD2  LEU  62          1HD2      LEU  62  -2.954   5.274  -2.147
  507   2HD2  LEU  62          2HD2      LEU  62  -4.640   5.222  -2.663
  508   3HD2  LEU  62          3HD2      LEU  62  -3.940   3.857  -1.791
  509    H    MET  63           H        MET  63  -7.990   6.059  -0.453
  510    HA   MET  63           HA       MET  63  -9.000   8.660   0.648
  511   1HB   MET  63          2HB       MET  63 -10.231   8.076  -1.388
  512   2HB   MET  63          1HB       MET  63 -10.532   6.452  -0.770
  513   1HG   MET  63          2HG       MET  63 -12.531   7.711  -0.358
  514   2HG   MET  63          1HG       MET  63 -11.718   7.550   1.199
  515   1HE   MET  63          1HE       MET  63 -11.263   9.640   2.733
  516   2HE   MET  63          2HE       MET  63 -12.913   9.219   2.279
  517   3HE   MET  63          3HE       MET  63 -12.421  10.910   2.316
  518    H    LYS  64           H        LYS  64  -9.519   8.504   2.807
  519    HA   LYS  64           HA       LYS  64  -9.228   5.905   4.166
  520   1HB   LYS  64          2HB       LYS  64  -9.394   7.276   6.193
  521   2HB   LYS  64          1HB       LYS  64  -8.301   8.047   5.057
  522   1HG   LYS  64          2HG       LYS  64  -9.852   9.729   4.507
  523   2HG   LYS  64          1HG       LYS  64 -11.221   8.794   5.103
  524   1HD   LYS  64          2HD       LYS  64 -10.745  10.561   6.698
  525   2HD   LYS  64          1HD       LYS  64 -10.301   9.016   7.422
  526   1HE   LYS  64          2HE       LYS  64  -7.941   9.394   6.916
  527   2HE   LYS  64          1HE       LYS  64  -8.338  10.881   6.033
  528   1HZ   LYS  64          1HZ       LYS  64  -9.185  10.464   8.843
  529   2HZ   LYS  64          2HZ       LYS  64  -9.097  11.921   7.973
  530   3HZ   LYS  64          3HZ       LYS  64  -7.671  11.133   8.465
  531    H    THR  65           H        THR  65 -10.924   4.654   4.904
  532    HA   THR  65           HA       THR  65 -13.680   5.803   4.930
  533    HB   THR  65           HB       THR  65 -13.271   4.887   2.690
  534    HG1  THR  65           1HG      THR  65 -14.915   3.220   2.770
  535   1HG2  THR  65          1HG2      THR  65 -11.507   3.340   2.994
  536   2HG2  THR  65          2HG2      THR  65 -12.897   2.338   2.577
  537   3HG2  THR  65          3HG2      THR  65 -12.376   2.468   4.256
  538    H    GLU  66           H        GLU  66 -15.222   3.860   5.663
  539    HA   GLU  66           HA       GLU  66 -13.868   2.366   7.884
  540   1HB   GLU  66          2HB       GLU  66 -15.920   2.866   9.214
  541   2HB   GLU  66          1HB       GLU  66 -15.082   4.334   8.715
  542   1HG   GLU  66          2HG       GLU  66 -16.676   4.806   7.023
  543   2HG   GLU  66          1HG       GLU  66 -17.330   3.169   7.066
  544    H    ARG  67           H        ARG  67 -14.557   1.409   5.170
  545    HA   ARG  67           HA       ARG  67 -16.517  -0.726   5.939
  546   1HB   ARG  67          2HB       ARG  67 -16.383   1.097   3.553
  547   2HB   ARG  67          1HB       ARG  67 -17.082  -0.512   3.369
  548   1HG   ARG  67          2HG       ARG  67 -18.705  -0.067   5.123
  549   2HG   ARG  67          1HG       ARG  67 -17.951   1.489   5.474
  550   1HD   ARG  67          2HD       ARG  67 -19.182   2.486   3.852
  551   2HD   ARG  67          1HD       ARG  67 -18.583   1.327   2.651
  552    HE   ARG  67           HE       ARG  67 -20.499  -0.030   3.035
  553   1HH1  ARG  67          1HH2      ARG  67 -20.235   2.519   5.394
  554   2HH1  ARG  67          2HH2      ARG  67 -21.825   2.260   6.022
  555   1HH2  ARG  67          1HH1      ARG  67 -22.566  -0.358   3.871
  556   2HH2  ARG  67          2HH1      ARG  67 -23.138   0.636   5.167
  557    HA   PRO  68           HA       PRO  68 -17.146  -2.576   5.381
  558   1HB   PRO  68          2HB       PRO  68 -16.441  -4.974   6.493
  559   2HB   PRO  68          1HB       PRO  68 -16.866  -4.786   4.781
  560   1HG   PRO  68          2HG       PRO  68 -14.185  -4.999   6.052
  561   2HG   PRO  68          1HG       PRO  68 -14.770  -5.681   4.527
  562   1HD   PRO  68          2HD       PRO  68 -13.208  -3.451   4.681
  563   2HD   PRO  68          1HD       PRO  68 -14.350  -3.762   3.358
  564    H    ARG  69           H        ARG  69 -14.039  -2.249   6.942
  565    HA   ARG  69           HA       ARG  69 -15.402  -1.946   9.602
  566   1HB   ARG  69          2HB       ARG  69 -12.561  -2.785   8.920
  567   2HB   ARG  69          1HB       ARG  69 -13.229  -2.672  10.546
  568   1HG   ARG  69          2HG       ARG  69 -15.092  -4.265   9.370
  569   2HG   ARG  69          1HG       ARG  69 -13.653  -4.744   8.471
  570   1HD   ARG  69          2HD       ARG  69 -13.548  -6.192  10.320
  571   2HD   ARG  69          1HD       ARG  69 -12.558  -4.835  10.889
  572    HE   ARG  69           HE       ARG  69 -14.317  -4.197  12.351
  573   1HH1  ARG  69          1HH2      ARG  69 -15.371  -6.601  10.060
  574   2HH1  ARG  69          2HH2      ARG  69 -16.884  -6.863  10.854
  575   1HH2  ARG  69          1HH1      ARG  69 -16.296  -4.553  13.375
  576   2HH2  ARG  69          2HH1      ARG  69 -17.407  -5.711  12.724
  577    HA   PRO  70           HA       PRO  70 -14.005   2.218   9.738
  578   1HB   PRO  70          2HB       PRO  70 -13.178   2.489  12.340
  579   2HB   PRO  70          1HB       PRO  70 -14.887   2.404  11.863
  580   1HG   PRO  70          2HG       PRO  70 -13.112   0.249  12.923
  581   2HG   PRO  70          1HG       PRO  70 -14.792   0.630  13.340
  582   1HD   PRO  70          2HD       PRO  70 -14.166  -1.388  11.677
  583   2HD   PRO  70          1HD       PRO  70 -15.638  -0.413  11.459
  584    H    ASN  71           H        ASN  71 -12.046   3.577   9.965
  585    HA   ASN  71           HA       ASN  71  -9.750   3.988   9.656
  586   1HB   ASN  71          2HB       ASN  71  -9.557   1.465  11.336
  587   2HB   ASN  71          1HB       ASN  71  -8.279   2.658  11.119
  588   1HD2  ASN  71          1HD2      ASN  71  -8.809   4.935  11.929
  589   2HD2  ASN  71          2HD2      ASN  71  -9.853   5.089  13.257
  590    H    THR  72           H        THR  72 -10.603   3.102   7.373
  591    HA   THR  72           HA       THR  72  -8.759   0.874   6.552
  592    HB   THR  72           HB       THR  72 -11.641   1.475   5.837
  593    HG1  THR  72           1HG      THR  72 -10.238  -0.549   7.189
  594   1HG2  THR  72          1HG2      THR  72  -9.632  -0.315   4.472
  595   2HG2  THR  72          2HG2      THR  72 -10.721   0.866   3.744
  596   3HG2  THR  72          3HG2      THR  72 -11.363  -0.643   4.391
  597    H    PHE  73           H        PHE  73  -8.022   1.042   4.300
  598    HA   PHE  73           HA       PHE  73  -8.141   3.847   3.221
  599   1HB   PHE  73          2HB       PHE  73  -5.991   2.000   3.923
  600   2HB   PHE  73          1HB       PHE  73  -5.852   2.546   2.253
  601    HD1  PHE  73           1HD      PHE  73  -7.524   4.673   4.748
  602    HD2  PHE  73           2HD      PHE  73  -3.809   3.828   2.763
  603    HE1  PHE  73           1HE      PHE  73  -6.611   6.838   5.531
  604    HE2  PHE  73           2HE      PHE  73  -2.899   5.993   3.549
  605    HZ   PHE  73           HZ       PHE  73  -4.302   7.496   4.933
  606    H    VAL  74           H        VAL  74  -8.943   4.023   1.170
  607    HA   VAL  74           HA       VAL  74  -9.064   1.549  -0.531
  608    HB   VAL  74           HB       VAL  74 -11.054   3.798  -0.093
  609   1HG1  VAL  74          1HG1      VAL  74 -12.441   2.284  -1.714
  610   2HG1  VAL  74          2HG1      VAL  74 -10.864   1.698  -2.246
  611   3HG1  VAL  74          3HG1      VAL  74 -11.268   3.408  -2.401
  612   1HG2  VAL  74          1HG2      VAL  74 -12.492   2.054   0.743
  613   2HG2  VAL  74          2HG2      VAL  74 -10.931   1.856   1.540
  614   3HG2  VAL  74          3HG2      VAL  74 -11.378   0.798   0.202
  615    H    ILE  75           H        ILE  75  -8.117   1.780  -2.509
  616    HA   ILE  75           HA       ILE  75  -7.430   4.549  -3.437
  617    HB   ILE  75           HB       ILE  75  -5.478   3.254  -2.855
  618   1HG1  ILE  75          2HG1      ILE  75  -5.661   2.934  -5.851
  619   2HG1  ILE  75          1HG1      ILE  75  -5.583   4.531  -5.109
  620   1HG2  ILE  75          1HG2      ILE  75  -6.781   1.075  -4.494
  621   2HG2  ILE  75          2HG2      ILE  75  -6.267   1.012  -2.809
  622   3HG2  ILE  75          3HG2      ILE  75  -5.065   1.050  -4.097
  623   1HD1  ILE  75          1HD1      ILE  75  -3.587   2.484  -4.229
  624   2HD1  ILE  75          2HD1      ILE  75  -3.412   4.234  -4.365
  625   3HD1  ILE  75          3HD1      ILE  75  -3.365   3.228  -5.812
  626    H    ARG  76           H        ARG  76  -8.442   5.184  -5.288
  627    HA   ARG  76           HA       ARG  76 -10.114   3.292  -6.798
  628   1HB   ARG  76          2HB       ARG  76 -10.519   5.781  -6.097
  629   2HB   ARG  76          1HB       ARG  76  -9.541   6.166  -7.513
  630   1HG   ARG  76          2HG       ARG  76 -11.117   4.554  -8.790
  631   2HG   ARG  76          1HG       ARG  76 -12.187   4.720  -7.399
  632   1HD   ARG  76          2HD       ARG  76 -12.416   7.085  -7.734
  633   2HD   ARG  76          1HD       ARG  76 -11.087   7.112  -8.912
  634    HE   ARG  76           HE       ARG  76 -12.889   5.252  -9.943
  635   1HH1  ARG  76          1HH2      ARG  76 -13.008   8.593  -8.981
  636   2HH1  ARG  76          2HH2      ARG  76 -14.254   8.998 -10.109
  637   1HH2  ARG  76          1HH1      ARG  76 -14.511   5.791 -11.412
  638   2HH2  ARG  76          2HH1      ARG  76 -15.104   7.416 -11.482
  639    H    CYS  77           H        CYS  77  -7.261   5.343  -7.470
  640    HA   CYS  77           HA       CYS  77  -5.612   5.211  -9.147
  641   1HB   CYS  77          2HB       CYS  77  -6.568   2.472  -8.599
  642   2HB   CYS  77          1HB       CYS  77  -5.799   2.658 -10.173
  643    H    LEU  78           H        LEU  78  -5.427   4.367 -11.631
  644    HA   LEU  78           HA       LEU  78  -7.909   5.362 -12.973
  645   1HB   LEU  78          2HB       LEU  78  -5.265   6.114 -13.145
  646   2HB   LEU  78          1HB       LEU  78  -5.415   5.019 -14.519
  647    HG   LEU  78           HG       LEU  78  -7.631   6.965 -14.161
  648   1HD1  LEU  78          1HD1      LEU  78  -4.911   7.828 -15.189
  649   2HD1  LEU  78          2HD1      LEU  78  -5.594   8.312 -13.638
  650   3HD1  LEU  78          3HD1      LEU  78  -6.373   8.812 -15.139
  651   1HD2  LEU  78          1HD2      LEU  78  -5.971   6.225 -16.588
  652   2HD2  LEU  78          2HD2      LEU  78  -7.575   6.956 -16.572
  653   3HD2  LEU  78          3HD2      LEU  78  -7.363   5.286 -16.048
  654    H    GLN  79           H        GLN  79  -9.066   3.970 -14.256
  655    HA   GLN  79           HA       GLN  79  -9.691   2.011 -15.415
  656   1HB   GLN  79          2HB       GLN  79  -6.995   2.695 -16.086
  657   2HB   GLN  79          1HB       GLN  79  -7.086   0.938 -15.968
  658   1HG   GLN  79          2HG       GLN  79  -8.721   0.780 -17.645
  659   2HG   GLN  79          1HG       GLN  79  -9.204   2.468 -17.465
  660   1HE2  GLN  79          1HE2      GLN  79  -7.737   4.133 -18.376
  661   2HE2  GLN  79          2HE2      GLN  79  -6.604   3.715 -19.567
  662    H    TRP  80           H        TRP  80  -8.730  -0.541 -15.478
  663    HA   TRP  80           HA       TRP  80  -8.671  -2.527 -14.208
  664   1HB   TRP  80          2HB       TRP  80  -6.581  -0.748 -13.451
  665   2HB   TRP  80          1HB       TRP  80  -7.168  -1.498 -11.969
  666    HD1  TRP  80           HD       TRP  80  -6.163  -3.766 -11.445
  667    HE1  TRP  80           1HE      TRP  80  -4.990  -5.626 -12.792
  668    HE3  TRP  80           3HE      TRP  80  -6.579  -1.839 -16.157
  669    HZ2  TRP  80           2HZ      TRP  80  -4.319  -6.218 -15.509
  670    HZ3  TRP  80           3HZ      TRP  80  -5.666  -3.071 -18.103
  671    HH2  TRP  80           HH       TRP  80  -4.537  -5.256 -17.786
  672    H    THR  81           H        THR  81 -11.057  -2.068 -13.758
  673    HA   THR  81           HA       THR  81 -11.723  -0.988 -11.101
  674    HB   THR  81           HB       THR  81 -14.057  -1.790 -11.948
  675    HG1  THR  81           1HG      THR  81 -14.148  -2.555 -13.927
  676   1HG2  THR  81          1HG2      THR  81 -12.782   0.547 -12.167
  677   2HG2  THR  81          2HG2      THR  81 -14.342   0.267 -12.940
  678   3HG2  THR  81          3HG2      THR  81 -12.856   0.139 -13.881
  679    H    THR  82           H        THR  82 -10.143  -2.915 -10.315
  680    HA   THR  82           HA       THR  82 -11.317  -5.583 -10.202
  681    HB   THR  82           HB       THR  82  -9.262  -4.587  -8.252
  682    HG1  THR  82           1HG      THR  82  -8.764  -5.024 -11.012
  683   1HG2  THR  82          1HG2      THR  82  -8.206  -6.785  -9.074
  684   2HG2  THR  82          2HG2      THR  82  -9.746  -7.079  -9.881
  685   3HG2  THR  82          3HG2      THR  82  -9.689  -6.912  -8.127
  686    H    VAL  83           H        VAL  83 -12.313  -6.567  -8.358
  687    HA   VAL  83           HA       VAL  83 -13.776  -4.690  -6.607
  688    HB   VAL  83           HB       VAL  83 -13.793  -7.715  -6.915
  689   1HG1  VAL  83          1HG1      VAL  83 -14.624  -6.897  -4.696
  690   2HG1  VAL  83          2HG1      VAL  83 -15.882  -7.665  -5.665
  691   3HG1  VAL  83          3HG1      VAL  83 -15.810  -5.907  -5.548
  692   1HG2  VAL  83          1HG2      VAL  83 -14.528  -6.578  -8.947
  693   2HG2  VAL  83          2HG2      VAL  83 -15.592  -5.528  -8.011
  694   3HG2  VAL  83          3HG2      VAL  83 -15.937  -7.254  -8.129
  695    H    ILE  84           H        ILE  84 -11.482  -7.419  -6.199
  696    HA   ILE  84           HA       ILE  84 -11.091  -6.576  -3.354
  697    HB   ILE  84           HB       ILE  84 -11.894  -8.894  -3.937
  698   1HG1  ILE  84          2HG1      ILE  84 -10.081 -10.066  -2.550
  699   2HG1  ILE  84          1HG1      ILE  84  -9.243  -8.515  -2.526
  700   1HG2  ILE  84          1HG2      ILE  84  -9.988  -8.776  -5.927
  701   2HG2  ILE  84          2HG2      ILE  84 -10.785 -10.248  -5.376
  702   3HG2  ILE  84          3HG2      ILE  84  -9.210  -9.802  -4.722
  703   1HD1  ILE  84          1HD1      ILE  84 -10.630  -8.726  -0.524
  704   2HD1  ILE  84          2HD1      ILE  84 -12.053  -9.046  -1.516
  705   3HD1  ILE  84          3HD1      ILE  84 -11.283  -7.460  -1.563
  706    H    GLU  85           H        GLU  85  -9.793  -4.874  -5.036
  707    HA   GLU  85           HA       GLU  85  -6.941  -5.526  -4.538
  708   1HB   GLU  85          2HB       GLU  85  -8.122  -6.126  -6.955
  709   2HB   GLU  85          1HB       GLU  85  -7.447  -4.527  -7.263
  710   1HG   GLU  85          2HG       GLU  85  -5.543  -5.705  -7.705
  711   2HG   GLU  85          1HG       GLU  85  -5.367  -5.686  -5.951
  712    H    ARG  86           H        ARG  86  -9.083  -3.406  -3.767
  713    HA   ARG  86           HA       ARG  86  -7.325  -1.046  -4.288
  714   1HB   ARG  86          2HB       ARG  86 -10.115  -1.563  -5.165
  715   2HB   ARG  86          1HB       ARG  86  -9.790   0.056  -4.542
  716   1HG   ARG  86          2HG       ARG  86  -9.099   0.466  -6.679
  717   2HG   ARG  86          1HG       ARG  86  -7.610  -0.300  -6.133
  718   1HD   ARG  86          2HD       ARG  86  -8.281  -1.358  -8.224
  719   2HD   ARG  86          1HD       ARG  86  -8.580  -2.519  -6.919
  720    HE   ARG  86           HE       ARG  86 -10.899  -2.251  -7.267
  721   1HH1  ARG  86          1HH2      ARG  86  -9.106   0.311  -8.803
  722   2HH1  ARG  86          2HH2      ARG  86 -10.505   0.998  -9.551
  723   1HH2  ARG  86          1HH1      ARG  86 -12.705  -1.352  -8.249
  724   2HH2  ARG  86          2HH1      ARG  86 -12.540   0.062  -9.236
  725    H    THR  87           H        THR  87  -8.597  -2.881  -1.894
  726    HA   THR  87           HA       THR  87  -8.911  -0.510  -0.093
  727    HB   THR  87           HB       THR  87 -11.115  -1.481  -0.821
  728    HG1  THR  87           1HG      THR  87 -11.933  -1.425   1.220
  729   1HG2  THR  87          1HG2      THR  87 -10.243  -3.850  -0.960
  730   2HG2  THR  87          2HG2      THR  87 -11.772  -3.682  -0.099
  731   3HG2  THR  87          3HG2      THR  87 -10.272  -3.894   0.803
  732    H    PHE  88           H        PHE  88  -7.816  -0.719   1.839
  733    HA   PHE  88           HA       PHE  88  -7.001  -3.421   2.764
  734   1HB   PHE  88          2HB       PHE  88  -4.748  -3.089   2.448
  735   2HB   PHE  88          1HB       PHE  88  -5.334  -2.053   1.154
  736    HD1  PHE  88           1HD      PHE  88  -4.423  -1.948   4.797
  737    HD2  PHE  88           2HD      PHE  88  -4.654   0.186   1.076
  738    HE1  PHE  88           1HE      PHE  88  -3.265  -0.021   5.831
  739    HE2  PHE  88           2HE      PHE  88  -3.493   2.113   2.113
  740    HZ   PHE  88           HZ       PHE  88  -2.796   2.011   4.494
  741    H    HIS  89           H        HIS  89  -6.583  -3.496   5.026
  742    HA   HIS  89           HA       HIS  89  -7.598  -1.121   6.538
  743   1HB   HIS  89          2HB       HIS  89  -7.410  -4.098   7.065
  744   2HB   HIS  89          1HB       HIS  89  -7.847  -2.948   8.327
  745    HD1  HIS  89           1HD      HIS  89 -10.230  -4.154   8.357
  746    HD2  HIS  89           2HD      HIS  89  -9.328  -2.121   4.833
  747    HE1  HIS  89           1HE      HIS  89 -12.415  -3.883   7.107
  748    H    VAL  90           H        VAL  90  -6.456  -0.461   8.470
  749    HA   VAL  90           HA       VAL  90  -3.538  -1.146   8.438
  750    HB   VAL  90           HB       VAL  90  -3.359   1.004   9.726
  751   1HG1  VAL  90          1HG1      VAL  90  -3.005   1.264   7.415
  752   2HG1  VAL  90          2HG1      VAL  90  -4.258   2.453   7.767
  753   3HG1  VAL  90          3HG1      VAL  90  -4.688   0.913   7.024
  754   1HG2  VAL  90          1HG2      VAL  90  -6.191   1.646   9.005
  755   2HG2  VAL  90          2HG2      VAL  90  -5.200   2.270  10.322
  756   3HG2  VAL  90          3HG2      VAL  90  -5.913   0.663  10.442
  757    H    ASP  91           H        ASP  91  -2.493  -1.534  10.526
  758    HA   ASP  91           HA       ASP  91  -4.080  -3.171  12.324
  759   1HB   ASP  91          2HB       ASP  91  -1.247  -2.132  12.228
  760   2HB   ASP  91          1HB       ASP  91  -1.820  -3.083  13.599
  761    H    SER  92           H        SER  92  -3.230   0.226  12.264
  762    HA   SER  92           HA       SER  92  -4.592   0.570  14.909
  763   1HB   SER  92          2HB       SER  92  -1.997   1.797  13.933
  764   2HB   SER  92          1HB       SER  92  -2.842   2.320  15.385
  765    HG   SER  92           HG       SER  92  -1.286   0.115  14.936
  766    HA   PRO  93           HA       PRO  93  -6.825   3.676  12.689
  767   1HB   PRO  93          2HB       PRO  93  -7.547   5.301  14.781
  768   2HB   PRO  93          1HB       PRO  93  -8.317   3.734  14.465
  769   1HG   PRO  93          2HG       PRO  93  -6.178   4.427  16.425
  770   2HG   PRO  93          1HG       PRO  93  -7.593   3.379  16.625
  771   1HD   PRO  93          2HD       PRO  93  -5.115   2.395  16.191
  772   2HD   PRO  93          1HD       PRO  93  -6.580   1.587  15.590
  773    H    ASP  94           H        ASP  94  -4.227   4.528  14.907
  774    HA   ASP  94           HA       ASP  94  -3.898   7.270  13.974
  775   1HB   ASP  94          2HB       ASP  94  -1.869   5.478  15.346
  776   2HB   ASP  94          1HB       ASP  94  -1.995   7.233  15.444
  777    H    GLU  95           H        GLU  95  -2.365   4.123  13.261
  778    HA   GLU  95           HA       GLU  95  -0.289   5.052  11.541
  779   1HB   GLU  95          2HB       GLU  95  -1.693   2.544  12.203
  780   2HB   GLU  95          1HB       GLU  95  -1.006   2.571  10.579
  781   1HG   GLU  95          2HG       GLU  95   0.996   2.100  11.500
  782   2HG   GLU  95          1HG       GLU  95   0.972   3.708  12.220
  783    H    ARG  96           H        ARG  96  -3.716   4.278  10.873
  784    HA   ARG  96           HA       ARG  96  -3.678   4.336   8.035
  785   1HB   ARG  96          2HB       ARG  96  -5.616   3.670   9.327
  786   2HB   ARG  96          1HB       ARG  96  -5.720   5.259  10.080
  787   1HG   ARG  96          2HG       ARG  96  -6.669   6.229   8.219
  788   2HG   ARG  96          1HG       ARG  96  -5.797   5.178   7.103
  789   1HD   ARG  96          2HD       ARG  96  -7.407   3.542   7.170
  790   2HD   ARG  96          1HD       ARG  96  -7.786   3.844   8.874
  791    HE   ARG  96           HE       ARG  96  -9.051   5.143   6.592
  792   1HH1  ARG  96          1HH2      ARG  96  -8.038   5.594   9.888
  793   2HH1  ARG  96          2HH2      ARG  96  -9.327   6.682  10.265
  794   1HH2  ARG  96          1HH1      ARG  96 -10.761   6.542   7.111
  795   2HH2  ARG  96          2HH1      ARG  96 -10.857   7.220   8.702
  796    H    GLU  97           H        GLU  97  -4.161   7.065  10.324
  797    HA   GLU  97           HA       GLU  97  -4.302   9.115   8.304
  798   1HB   GLU  97          2HB       GLU  97  -5.001   9.242  10.734
  799   2HB   GLU  97          1HB       GLU  97  -3.293   9.309  11.164
  800   1HG   GLU  97          2HG       GLU  97  -4.434  11.567  11.001
  801   2HG   GLU  97          1HG       GLU  97  -2.997  11.392   9.996
  802    H    GLU  98           H        GLU  98  -1.600   7.655  10.100
  803    HA   GLU  98           HA       GLU  98   0.489   9.406   9.198
  804   1HB   GLU  98          2HB       GLU  98   0.534   7.754  11.099
  805   2HB   GLU  98          1HB       GLU  98   0.584   6.453   9.911
  806   1HG   GLU  98          2HG       GLU  98   2.619   8.108   9.051
  807   2HG   GLU  98          1HG       GLU  98   2.730   8.255  10.805
  808    H    TRP  99           H        TRP  99  -0.889   6.391   7.850
  809    HA   TRP  99           HA       TRP  99   0.934   6.002   5.684
  810   1HB   TRP  99          2HB       TRP  99  -1.995   5.377   6.137
  811   2HB   TRP  99          1HB       TRP  99  -1.159   4.871   4.671
  812    HD1  TRP  99           HD       TRP  99  -2.123   3.480   7.780
  813    HE1  TRP  99           1HE      TRP  99  -0.577   1.578   8.561
  814    HE3  TRP  99           3HE      TRP  99   1.889   4.305   4.727
  815    HZ2  TRP  99           2HZ      TRP  99   2.020   0.535   7.963
  816    HZ3  TRP  99           3HZ      TRP  99   3.887   2.838   4.854
  817    HH2  TRP  99           HH       TRP  99   3.953   0.956   6.469
  818    H    MET 100           H        MET 100  -2.075   7.914   5.909
  819    HA   MET 100           HA       MET 100  -2.254   8.782   3.202
  820   1HB   MET 100          2HB       MET 100  -3.721   9.065   5.455
  821   2HB   MET 100          1HB       MET 100  -2.960  10.655   5.416
  822   1HG   MET 100          2HG       MET 100  -3.868  11.155   3.276
  823   2HG   MET 100          1HG       MET 100  -4.319   9.473   2.988
  824   1HE   MET 100          1HE       MET 100  -7.893   9.820   3.473
  825   2HE   MET 100          2HE       MET 100  -6.620   8.614   3.308
  826   3HE   MET 100          3HE       MET 100  -6.613  10.040   2.273
  827    H    ARG 101           H        ARG 101  -0.625  10.303   6.003
  828    HA   ARG 101           HA       ARG 101   0.379  12.629   4.725
  829   1HB   ARG 101          2HB       ARG 101   1.427  10.871   6.964
  830   2HB   ARG 101          1HB       ARG 101   2.126  12.441   6.570
  831   1HG   ARG 101          2HG       ARG 101  -0.648  12.887   6.700
  832   2HG   ARG 101          1HG       ARG 101  -0.286  11.838   8.071
  833   1HD   ARG 101          2HD       ARG 101   1.340  13.380   8.941
  834   2HD   ARG 101          1HD       ARG 101   1.310  14.347   7.454
  835    HE   ARG 101           HE       ARG 101  -0.836  14.250   9.503
  836   1HH1  ARG 101          1HH2      ARG 101   0.265  15.320   6.373
  837   2HH1  ARG 101          2HH2      ARG 101  -0.906  16.587   6.268
  838   1HH2  ARG 101          1HH1      ARG 101  -2.360  15.899   9.339
  839   2HH2  ARG 101          2HH1      ARG 101  -2.386  16.914   7.936
  840    H    ALA 102           H        ALA 102   1.822   9.360   4.973
  841    HA   ALA 102           HA       ALA 102   4.295   9.958   3.642
  842   1HB   ALA 102          1HB       ALA 102   3.991   7.949   4.952
  843   2HB   ALA 102          2HB       ALA 102   4.269   7.447   3.284
  844   3HB   ALA 102          3HB       ALA 102   2.634   7.438   3.947
  845    H    ILE 103           H        ILE 103   1.134   8.829   2.414
  846    HA   ILE 103           HA       ILE 103   1.901   8.457  -0.325
  847    HB   ILE 103           HB       ILE 103  -0.722   9.209   1.016
  848   1HG1  ILE 103          2HG1      ILE 103   0.054   6.522  -0.114
  849   2HG1  ILE 103          1HG1      ILE 103   0.552   6.985   1.513
  850   1HG2  ILE 103          1HG2      ILE 103  -0.035   8.544  -1.836
  851   2HG2  ILE 103          2HG2      ILE 103  -1.158   9.755  -1.215
  852   3HG2  ILE 103          3HG2      ILE 103  -1.596   8.047  -1.181
  853   1HD1  ILE 103          1HD1      ILE 103  -1.766   7.349   2.166
  854   2HD1  ILE 103          2HD1      ILE 103  -1.606   5.730   1.487
  855   3HD1  ILE 103          3HD1      ILE 103  -2.312   7.025   0.521
  856    H    GLN 104           H        GLN 104   0.718  11.306   1.462
  857    HA   GLN 104           HA       GLN 104   0.467  13.099  -0.761
  858   1HB   GLN 104          2HB       GLN 104  -0.505  13.551   1.420
  859   2HB   GLN 104          1HB       GLN 104   1.080  13.486   2.188
  860   1HG   GLN 104          2HG       GLN 104   0.564  15.810   1.944
  861   2HG   GLN 104          1HG       GLN 104   1.745  15.444   0.689
  862   1HE2  GLN 104          1HE2      GLN 104   0.911  15.203  -1.561
  863   2HE2  GLN 104          2HE2      GLN 104  -0.574  15.900  -1.993
  864    H    MET 105           H        MET 105   3.214  12.388   1.427
  865    HA   MET 105           HA       MET 105   5.053  14.310   0.359
  866   1HB   MET 105          2HB       MET 105   5.115  12.842   2.493
  867   2HB   MET 105          1HB       MET 105   5.764  11.578   1.448
  868   1HG   MET 105          2HG       MET 105   7.010  14.305   1.364
  869   2HG   MET 105          1HG       MET 105   7.399  13.231   2.706
  870   1HE   MET 105          1HE       MET 105   9.015  11.569   2.733
  871   2HE   MET 105          2HE       MET 105   9.476  10.494   1.416
  872   3HE   MET 105          3HE       MET 105   7.824  10.465   2.028
  873    H    VAL 106           H        VAL 106   4.460  10.885  -0.486
  874    HA   VAL 106           HA       VAL 106   6.495  10.613  -2.480
  875    HB   VAL 106           HB       VAL 106   3.774   9.308  -2.112
  876   1HG1  VAL 106          1HG1      VAL 106   4.382   8.791  -4.342
  877   2HG1  VAL 106          2HG1      VAL 106   4.958   7.411  -3.407
  878   3HG1  VAL 106          3HG1      VAL 106   6.093   8.654  -3.934
  879   1HG2  VAL 106          1HG2      VAL 106   6.127   9.202  -0.571
  880   2HG2  VAL 106          2HG2      VAL 106   6.124   7.709  -1.510
  881   3HG2  VAL 106          3HG2      VAL 106   4.752   8.102  -0.475
  882    H    ALA 107           H        ALA 107   3.087  11.667  -2.711
  883    HA   ALA 107           HA       ALA 107   2.951  11.935  -5.558
  884   1HB   ALA 107          1HB       ALA 107   1.562  13.469  -3.334
  885   2HB   ALA 107          2HB       ALA 107   1.033  11.920  -3.993
  886   3HB   ALA 107          3HB       ALA 107   1.006  13.365  -5.005
  887    H    ASN 108           H        ASN 108   4.037  14.190  -3.013
  888    HA   ASN 108           HA       ASN 108   4.338  16.539  -4.620
  889   1HB   ASN 108          2HB       ASN 108   5.450  15.435  -2.063
  890   2HB   ASN 108          1HB       ASN 108   6.224  16.862  -2.751
  891   1HD2  ASN 108          1HD2      ASN 108   3.270  15.668  -1.234
  892   2HD2  ASN 108          2HD2      ASN 108   2.526  17.185  -1.073
  893    H    SER 109           H        SER 109   6.606  13.871  -3.894
  894    HA   SER 109           HA       SER 109   8.784  14.992  -5.485
  895   1HB   SER 109          2HB       SER 109   8.331  12.163  -4.486
  896   2HB   SER 109          1HB       SER 109   9.877  12.907  -4.890
  897    HG   SER 109           HG       SER 109   9.910  13.591  -2.910
  898    H    LEU 110           H        LEU 110   6.176  12.648  -6.021
  899    HA   LEU 110           HA       LEU 110   7.088  11.493  -8.473
  900   1HB   LEU 110          2HB       LEU 110   4.693  11.641  -6.816
  901   2HB   LEU 110          1HB       LEU 110   4.281  11.624  -8.529
  902    HG   LEU 110           HG       LEU 110   5.520   9.579  -8.880
  903   1HD1  LEU 110          1HD1      LEU 110   6.491   8.481  -6.708
  904   2HD1  LEU 110          2HD1      LEU 110   6.522  10.135  -6.097
  905   3HD1  LEU 110          3HD1      LEU 110   7.441   9.712  -7.540
  906   1HD2  LEU 110          1HD2      LEU 110   3.203   9.525  -7.783
  907   2HD2  LEU 110          2HD2      LEU 110   4.043   9.206  -6.266
  908   3HD2  LEU 110          3HD2      LEU 110   4.181   8.068  -7.606
  909    H    LYS 111           H        LYS 111   5.498  14.566  -7.775
  910    HA   LYS 111           HA       LYS 111   5.015  16.421  -9.134
  911   1HB   LYS 111          2HB       LYS 111   6.952  14.923 -10.937
  912   2HB   LYS 111          1HB       LYS 111   6.449  16.594 -11.179
  913   1HG   LYS 111          2HG       LYS 111   7.409  16.020  -8.452
  914   2HG   LYS 111          1HG       LYS 111   8.636  15.818  -9.702
  915   1HD   LYS 111          2HD       LYS 111   8.907  18.060  -9.615
  916   2HD   LYS 111          1HD       LYS 111   7.351  18.174 -10.436
  917   1HE   LYS 111          2HE       LYS 111   6.987  19.500  -8.524
  918   2HE   LYS 111          1HE       LYS 111   6.376  17.923  -7.985
  919   1HZ   LYS 111          1HZ       LYS 111   9.100  19.029  -7.538
  920   2HZ   LYS 111          2HZ       LYS 111   8.656  17.428  -7.182
  921   3HZ   LYS 111          3HZ       LYS 111   7.923  18.719  -6.356
  Start of MODEL   15
    1   1H    MET   1          1H        MET   1  20.208  -2.714 -12.924
    2   2H    MET   1          2H        MET   1  18.724  -1.904 -13.100
    3   3H    MET   1          3H        MET   1  18.835  -3.274 -12.103
    4    HA   MET   1           HA       MET   1  20.171  -2.133 -10.507
    5   1HB   MET   1          2HB       MET   1  20.964   0.145 -11.002
    6   2HB   MET   1          1HB       MET   1  21.487  -0.968 -12.264
    7   1HG   MET   1          2HG       MET   1  18.860   0.234 -12.804
    8   2HG   MET   1          1HG       MET   1  20.160   1.420 -12.696
    9   1HE   MET   1          1HE       MET   1  18.669   1.218 -15.335
   10   2HE   MET   1          2HE       MET   1  20.016   1.211 -16.471
   11   3HE   MET   1          3HE       MET   1  20.098   2.212 -15.023
   12    H    ASN   2           H        ASN   2  19.350  -0.359  -9.031
   13    HA   ASN   2           HA       ASN   2  16.612   0.628  -9.647
   14   1HB   ASN   2          2HB       ASN   2  15.735  -0.406  -7.589
   15   2HB   ASN   2          1HB       ASN   2  16.408  -1.642  -8.649
   16   1HD2  ASN   2          1HD2      ASN   2  18.497  -2.616  -8.015
   17   2HD2  ASN   2          2HD2      ASN   2  19.071  -2.474  -6.424
   18    H    GLU   3           H        GLU   3  16.036   2.467  -8.376
   19    HA   GLU   3           HA       GLU   3  18.017   3.436  -6.365
   20   1HB   GLU   3          2HB       GLU   3  18.034   5.642  -7.569
   21   2HB   GLU   3          1HB       GLU   3  18.726   4.331  -8.522
   22   1HG   GLU   3          2HG       GLU   3  17.230   4.736 -10.154
   23   2HG   GLU   3          1HG       GLU   3  15.916   4.376  -9.035
   24    H    VAL   4           H        VAL   4  15.230   2.446  -6.148
   25    HA   VAL   4           HA       VAL   4  13.733   4.933  -5.439
   26    HB   VAL   4           HB       VAL   4  12.966   2.024  -5.847
   27   1HG1  VAL   4          1HG1      VAL   4  11.582   2.935  -4.050
   28   2HG1  VAL   4          2HG1      VAL   4  10.617   2.816  -5.522
   29   3HG1  VAL   4          3HG1      VAL   4  11.248   4.380  -5.004
   30   1HG2  VAL   4          1HG2      VAL   4  13.353   3.286  -7.910
   31   2HG2  VAL   4          2HG2      VAL   4  12.313   4.590  -7.337
   32   3HG2  VAL   4          3HG2      VAL   4  11.623   3.011  -7.710
   33    H    SER   5           H        SER   5  13.890   5.536  -3.319
   34    HA   SER   5           HA       SER   5  14.844   3.673  -1.258
   35   1HB   SER   5          2HB       SER   5  14.569   5.772   0.146
   36   2HB   SER   5          1HB       SER   5  15.612   5.960  -1.259
   37    HG   SER   5           HG       SER   5  12.910   6.763  -0.936
   38    H    VAL   6           H        VAL   6  13.510   4.024   0.975
   39    HA   VAL   6           HA       VAL   6  10.696   3.192   0.371
   40    HB   VAL   6           HB       VAL   6  12.614   2.693   2.664
   41   1HG1  VAL   6          1HG1      VAL   6  10.744   1.201   3.520
   42   2HG1  VAL   6          2HG1      VAL   6   9.674   2.027   2.388
   43   3HG1  VAL   6          3HG1      VAL   6  10.455   2.932   3.685
   44   1HG2  VAL   6          1HG2      VAL   6  12.275   0.323   1.953
   45   2HG2  VAL   6          2HG2      VAL   6  12.984   1.314   0.677
   46   3HG2  VAL   6          3HG2      VAL   6  11.272   0.895   0.620
   47    H    ILE   7           H        ILE   7   8.992   4.333   1.291
   48    HA   ILE   7           HA       ILE   7   9.696   6.852   2.736
   49    HB   ILE   7           HB       ILE   7   7.594   5.921   0.835
   50   1HG1  ILE   7          2HG1      ILE   7   7.938   8.168  -0.078
   51   2HG1  ILE   7          1HG1      ILE   7   8.917   8.611   1.321
   52   1HG2  ILE   7          1HG2      ILE   7   6.174   7.932   1.541
   53   2HG2  ILE   7          2HG2      ILE   7   7.084   7.919   3.050
   54   3HG2  ILE   7          3HG2      ILE   7   6.103   6.525   2.600
   55   1HD1  ILE   7          1HD1      ILE   7  10.159   7.889  -0.828
   56   2HD1  ILE   7          2HD1      ILE   7   9.648   6.253  -0.413
   57   3HD1  ILE   7          3HD1      ILE   7  10.677   7.164   0.692
   58    H    LYS   8           H        LYS   8   7.621   3.941   3.006
   59    HA   LYS   8           HA       LYS   8   7.382   4.489   5.919
   60   1HB   LYS   8          2HB       LYS   8   5.516   5.513   4.309
   61   2HB   LYS   8          1HB       LYS   8   4.872   3.875   4.409
   62   1HG   LYS   8          2HG       LYS   8   3.843   5.061   6.200
   63   2HG   LYS   8          1HG       LYS   8   5.111   4.097   6.953
   64   1HD   LYS   8          2HD       LYS   8   6.263   6.583   6.128
   65   2HD   LYS   8          1HD       LYS   8   4.782   6.935   7.020
   66   1HE   LYS   8          2HE       LYS   8   5.589   5.380   8.841
   67   2HE   LYS   8          1HE       LYS   8   7.134   5.264   7.977
   68   1HZ   LYS   8          1HZ       LYS   8   6.861   7.106   9.736
   69   2HZ   LYS   8          2HZ       LYS   8   5.928   7.900   8.560
   70   3HZ   LYS   8          3HZ       LYS   8   7.554   7.516   8.243
   71    H    GLU   9           H        GLU   9   7.189   2.614   7.120
   72    HA   GLU   9           HA       GLU   9   6.729   0.024   5.663
   73   1HB   GLU   9          2HB       GLU   9   8.837   0.807   7.706
   74   2HB   GLU   9          1HB       GLU   9   8.526  -0.861   7.231
   75   1HG   GLU   9          2HG       GLU   9   9.803  -0.603   5.400
   76   2HG   GLU   9          1HG       GLU   9   8.786   0.730   4.858
   77    H    GLY  10           H        GLY  10   5.091  -1.154   6.668
   78   1HA   GLY  10          2HA       GLY  10   4.827  -1.287   9.543
   79   2HA   GLY  10          1HA       GLY  10   3.594  -0.238   8.856
   80    H    TRP  11           H        TRP  11   2.663  -2.408  10.127
   81    HA   TRP  11           HA       TRP  11   2.230  -4.600   8.162
   82   1HB   TRP  11          2HB       TRP  11   1.866  -4.121  11.096
   83   2HB   TRP  11          1HB       TRP  11   0.869  -5.357  10.332
   84    HD1  TRP  11           HD       TRP  11   4.504  -4.489  11.117
   85    HE1  TRP  11           1HE      TRP  11   5.937  -6.619  10.856
   86    HE3  TRP  11           3HE      TRP  11   1.022  -7.655   9.135
   87    HZ2  TRP  11           2HZ      TRP  11   5.638  -9.307   9.922
   88    HZ3  TRP  11           3HZ      TRP  11   1.624  -9.991   8.566
   89    HH2  TRP  11           HH       TRP  11   3.927 -10.819   8.956
   90    H    LEU  12           H        LEU  12   0.368  -4.687   6.950
   91    HA   LEU  12           HA       LEU  12  -1.964  -2.999   7.817
   92   1HB   LEU  12          2HB       LEU  12  -0.882  -3.568   5.036
   93   2HB   LEU  12          1HB       LEU  12  -2.327  -2.624   5.380
   94    HG   LEU  12           HG       LEU  12   0.470  -1.947   6.338
   95   1HD1  LEU  12          1HD1      LEU  12  -0.775  -1.543   3.815
   96   2HD1  LEU  12          2HD1      LEU  12   0.751  -0.867   4.384
   97   3HD1  LEU  12          3HD1      LEU  12  -0.752   0.020   4.631
   98   1HD2  LEU  12          1HD2      LEU  12  -2.202  -1.023   7.078
   99   2HD2  LEU  12          2HD2      LEU  12  -1.184   0.294   6.498
  100   3HD2  LEU  12          3HD2      LEU  12  -0.653  -0.699   7.855
  101    H    HIS  13           H        HIS  13  -4.036  -3.926   7.454
  102    HA   HIS  13           HA       HIS  13  -4.068  -6.877   7.170
  103   1HB   HIS  13          2HB       HIS  13  -5.755  -4.713   8.274
  104   2HB   HIS  13          1HB       HIS  13  -6.661  -6.026   7.523
  105    HD1  HIS  13           1HD      HIS  13  -6.947  -8.112   8.893
  106    HD2  HIS  13           2HD      HIS  13  -3.847  -5.720  10.330
  107    HE1  HIS  13           1HE      HIS  13  -6.142  -9.192  11.038
  108    H    LYS  14           H        LYS  14  -4.552  -7.841   5.238
  109    HA   LYS  14           HA       LYS  14  -5.938  -6.200   3.135
  110   1HB   LYS  14          2HB       LYS  14  -3.378  -7.189   3.142
  111   2HB   LYS  14          1HB       LYS  14  -4.248  -8.492   2.334
  112   1HG   LYS  14          2HG       LYS  14  -4.601  -5.599   1.528
  113   2HG   LYS  14          1HG       LYS  14  -3.335  -6.613   0.834
  114   1HD   LYS  14          2HD       LYS  14  -6.060  -7.794   0.874
  115   2HD   LYS  14          1HD       LYS  14  -5.829  -6.429  -0.216
  116   1HE   LYS  14          2HE       LYS  14  -4.802  -7.804  -1.691
  117   2HE   LYS  14          1HE       LYS  14  -3.552  -8.152  -0.482
  118   1HZ   LYS  14          1HZ       LYS  14  -4.809  -9.902   0.415
  119   2HZ   LYS  14          2HZ       LYS  14  -4.945 -10.110  -1.267
  120   3HZ   LYS  14          3HZ       LYS  14  -6.231  -9.428  -0.387
  121    H    ARG  15           H        ARG  15  -7.766  -7.117   2.244
  122    HA   ARG  15           HA       ARG  15  -9.012  -9.427   3.419
  123   1HB   ARG  15          2HB       ARG  15 -10.221  -7.567   2.359
  124   2HB   ARG  15          1HB       ARG  15  -9.491  -7.957   0.802
  125   1HG   ARG  15          2HG       ARG  15 -10.820 -10.250   2.077
  126   2HG   ARG  15          1HG       ARG  15 -11.916  -8.920   1.702
  127   1HD   ARG  15          2HD       ARG  15 -10.213  -9.186  -0.553
  128   2HD   ARG  15          1HD       ARG  15 -10.735 -10.826  -0.119
  129    HE   ARG  15           HE       ARG  15 -13.065  -9.408   0.116
  130   1HH1  ARG  15          1HH2      ARG  15 -10.652  -9.598  -2.384
  131   2HH1  ARG  15          2HH2      ARG  15 -11.775  -9.265  -3.654
  132   1HH2  ARG  15          1HH1      ARG  15 -14.515  -8.974  -1.549
  133   2HH2  ARG  15          2HH1      ARG  15 -13.952  -8.906  -3.185
  134    H    GLY  16           H        GLY  16  -8.509 -11.547   3.038
  135   1HA   GLY  16          2HA       GLY  16  -7.872 -12.455   0.312
  136   2HA   GLY  16          1HA       GLY  16  -6.558 -12.639   1.476
  137    H    GLU  17           H        GLU  17 -10.053 -13.361   1.170
  138    HA   GLU  17           HA       GLU  17  -9.613 -16.149   1.973
  139   1HB   GLU  17          2HB       GLU  17  -9.703 -14.398   4.010
  140   2HB   GLU  17          1HB       GLU  17 -11.436 -14.620   3.780
  141   1HG   GLU  17          2HG       GLU  17 -10.409 -17.210   3.642
  142   2HG   GLU  17          1HG       GLU  17  -9.478 -16.451   4.933
  143    H    TYR  18           H        TYR  18 -11.807 -17.312   2.067
  144    HA   TYR  18           HA       TYR  18 -13.416 -16.588  -0.211
  145   1HB   TYR  18          2HB       TYR  18 -14.772 -18.519   0.477
  146   2HB   TYR  18          1HB       TYR  18 -13.059 -18.898   0.604
  147    HD1  TYR  18           1HD      TYR  18 -12.079 -19.497   2.694
  148    HD2  TYR  18           2HD      TYR  18 -16.066 -17.902   2.568
  149    HE1  TYR  18           1HE      TYR  18 -12.401 -20.112   5.073
  150    HE2  TYR  18           2HE      TYR  18 -16.384 -18.512   4.949
  151    HH   TYR  18           HH       TYR  18 -15.210 -20.432   6.523
  152    H    ILE  19           H        ILE  19 -13.614 -15.715   3.180
  153    HA   ILE  19           HA       ILE  19 -16.304 -14.486   2.679
  154    HB   ILE  19           HB       ILE  19 -15.694 -16.299   4.540
  155   1HG1  ILE  19          2HG1      ILE  19 -17.282 -14.311   5.903
  156   2HG1  ILE  19          1HG1      ILE  19 -17.705 -14.337   4.191
  157   1HG2  ILE  19          1HG2      ILE  19 -15.284 -13.837   6.197
  158   2HG2  ILE  19          2HG2      ILE  19 -13.897 -14.546   5.372
  159   3HG2  ILE  19          3HG2      ILE  19 -14.815 -15.503   6.533
  160   1HD1  ILE  19          1HD1      ILE  19 -17.455 -16.877   5.807
  161   2HD1  ILE  19          2HD1      ILE  19 -18.251 -16.648   4.250
  162   3HD1  ILE  19          3HD1      ILE  19 -18.968 -15.977   5.715
  163    H    LYS  20           H        LYS  20 -16.346 -12.532   4.611
  164    HA   LYS  20           HA       LYS  20 -14.506 -10.528   3.532
  165   1HB   LYS  20          2HB       LYS  20 -16.754 -10.625   5.543
  166   2HB   LYS  20          1HB       LYS  20 -15.776  -9.168   5.367
  167   1HG   LYS  20          2HG       LYS  20 -16.463  -8.822   3.143
  168   2HG   LYS  20          1HG       LYS  20 -16.997 -10.492   2.951
  169   1HD   LYS  20          2HD       LYS  20 -18.878 -10.129   4.431
  170   2HD   LYS  20          1HD       LYS  20 -18.297  -8.515   4.844
  171   1HE   LYS  20          2HE       LYS  20 -18.585  -7.818   2.467
  172   2HE   LYS  20          1HE       LYS  20 -19.245  -9.425   2.100
  173   1HZ   LYS  20          1HZ       LYS  20 -21.050  -7.946   2.626
  174   2HZ   LYS  20          2HZ       LYS  20 -20.311  -7.479   4.082
  175   3HZ   LYS  20          3HZ       LYS  20 -20.887  -9.067   3.888
  176    H    THR  21           H        THR  21 -12.596 -11.972   4.417
  177    HA   THR  21           HA       THR  21 -11.989 -11.169   7.248
  178    HB   THR  21           HB       THR  21 -11.117 -13.550   5.588
  179    HG1  THR  21           1HG      THR  21 -12.688 -13.319   7.938
  180   1HG2  THR  21          1HG2      THR  21 -10.190 -14.261   7.913
  181   2HG2  THR  21          2HG2      THR  21 -10.236 -12.536   8.280
  182   3HG2  THR  21          3HG2      THR  21  -9.248 -13.128   6.943
  183    H    TRP  22           H        TRP  22  -9.932 -10.305   7.663
  184    HA   TRP  22           HA       TRP  22  -8.283  -9.592   5.255
  185   1HB   TRP  22          2HB       TRP  22  -8.872  -8.045   7.807
  186   2HB   TRP  22          1HB       TRP  22  -7.795  -7.493   6.526
  187    HD1  TRP  22           HD       TRP  22 -11.485  -8.595   6.935
  188    HE1  TRP  22           1HE      TRP  22 -12.915  -7.237   5.282
  189    HE3  TRP  22           3HE      TRP  22  -7.822  -5.929   4.575
  190    HZ2  TRP  22           2HZ      TRP  22 -12.563  -5.275   3.237
  191    HZ3  TRP  22           3HZ      TRP  22  -8.398  -4.322   2.782
  192    HH2  TRP  22           HH       TRP  22 -10.764  -3.992   2.110
  193    H    ARG  23           H        ARG  23  -6.193 -10.333   5.363
  194    HA   ARG  23           HA       ARG  23  -5.204 -11.404   7.969
  195   1HB   ARG  23          2HB       ARG  23  -4.232 -11.762   5.111
  196   2HB   ARG  23          1HB       ARG  23  -3.636 -12.645   6.516
  197   1HG   ARG  23          2HG       ARG  23  -6.435 -12.939   6.592
  198   2HG   ARG  23          1HG       ARG  23  -5.990 -13.164   4.900
  199   1HD   ARG  23          2HD       ARG  23  -4.891 -15.127   5.325
  200   2HD   ARG  23          1HD       ARG  23  -4.219 -14.527   6.855
  201    HE   ARG  23           HE       ARG  23  -7.127 -14.928   6.901
  202   1HH1  ARG  23          1HH2      ARG  23  -3.990 -16.354   7.396
  203   2HH1  ARG  23          2HH2      ARG  23  -4.570 -17.523   8.530
  204   1HH2  ARG  23          1HH1      ARG  23  -7.870 -16.460   8.376
  205   2HH2  ARG  23          2HH1      ARG  23  -6.760 -17.586   9.083
  206    HA   PRO  24           HA       PRO  24  -2.518  -7.898   8.263
  207   1HB   PRO  24          2HB       PRO  24  -0.779  -8.890  10.131
  208   2HB   PRO  24          1HB       PRO  24  -2.414  -8.328  10.530
  209   1HG   PRO  24          2HG       PRO  24  -1.411 -11.104  10.138
  210   2HG   PRO  24          1HG       PRO  24  -2.564 -10.479  11.328
  211   1HD   PRO  24          2HD       PRO  24  -3.318 -11.828   9.091
  212   2HD   PRO  24          1HD       PRO  24  -4.331 -10.593   9.873
  213    H    ARG  25           H        ARG  25  -0.870  -7.331   6.911
  214    HA   ARG  25           HA       ARG  25   1.284  -9.322   6.297
  215   1HB   ARG  25          2HB       ARG  25  -0.669  -7.927   4.504
  216   2HB   ARG  25          1HB       ARG  25   0.973  -8.158   3.903
  217   1HG   ARG  25          2HG       ARG  25   0.202 -10.201   3.255
  218   2HG   ARG  25          1HG       ARG  25   0.455 -10.631   4.946
  219   1HD   ARG  25          2HD       ARG  25  -1.813 -10.529   5.456
  220   2HD   ARG  25          1HD       ARG  25  -2.154  -9.351   4.176
  221    HE   ARG  25           HE       ARG  25  -2.029 -12.259   3.840
  222   1HH1  ARG  25          1HH2      ARG  25  -1.733  -9.142   2.315
  223   2HH1  ARG  25          2HH2      ARG  25  -2.028  -9.759   0.728
  224   1HH2  ARG  25          1HH1      ARG  25  -2.436 -13.046   1.767
  225   2HH2  ARG  25          2HH1      ARG  25  -2.427 -11.963   0.417
  226    H    TYR  26           H        TYR  26   3.324  -8.355   6.054
  227    HA   TYR  26           HA       TYR  26   3.673  -5.659   7.086
  228   1HB   TYR  26          2HB       TYR  26   5.222  -7.581   7.441
  229   2HB   TYR  26          1HB       TYR  26   5.593  -7.578   5.717
  230    HD1  TYR  26           1HD      TYR  26   5.209  -4.856   8.281
  231    HD2  TYR  26           2HD      TYR  26   7.725  -6.722   5.341
  232    HE1  TYR  26           1HE      TYR  26   6.931  -3.113   8.648
  233    HE2  TYR  26           2HE      TYR  26   9.445  -4.978   5.708
  234    HH   TYR  26           HH       TYR  26   9.815  -3.242   8.131
  235    H    PHE  27           H        PHE  27   2.929  -4.021   5.728
  236    HA   PHE  27           HA       PHE  27   3.445  -4.192   2.816
  237   1HB   PHE  27          2HB       PHE  27   1.613  -2.822   4.660
  238   2HB   PHE  27          1HB       PHE  27   2.173  -1.801   3.336
  239    HD1  PHE  27           1HD      PHE  27   1.696  -2.377   1.000
  240    HD2  PHE  27           2HD      PHE  27   0.285  -4.832   4.231
  241    HE1  PHE  27           1HE      PHE  27   0.155  -3.537  -0.556
  242    HE2  PHE  27           2HE      PHE  27  -1.258  -5.992   2.674
  243    HZ   PHE  27           HZ       PHE  27  -1.322  -5.344   0.282
  244    H    LEU  28           H        LEU  28   4.732  -2.711   1.701
  245    HA   LEU  28           HA       LEU  28   6.445  -0.880   3.357
  246   1HB   LEU  28          2HB       LEU  28   7.086  -3.261   1.980
  247   2HB   LEU  28          1HB       LEU  28   7.710  -1.959   0.971
  248    HG   LEU  28           HG       LEU  28   9.355  -2.769   2.674
  249   1HD1  LEU  28          1HD1      LEU  28   8.412   0.075   3.126
  250   2HD1  LEU  28          2HD1      LEU  28   9.385  -0.448   1.752
  251   3HD1  LEU  28          3HD1      LEU  28  10.041  -0.549   3.385
  252   1HD2  LEU  28          1HD2      LEU  28   7.433  -3.122   4.393
  253   2HD2  LEU  28          2HD2      LEU  28   7.630  -1.404   4.739
  254   3HD2  LEU  28          3HD2      LEU  28   8.978  -2.513   4.988
  255    H    LEU  29           H        LEU  29   6.263   1.214   2.638
  256    HA   LEU  29           HA       LEU  29   5.198   1.733  -0.103
  257   1HB   LEU  29          2HB       LEU  29   4.172   2.743   1.961
  258   2HB   LEU  29          1HB       LEU  29   5.691   3.591   2.252
  259    HG   LEU  29           HG       LEU  29   5.481   4.739   0.082
  260   1HD1  LEU  29          1HD1      LEU  29   3.288   4.526  -1.144
  261   2HD1  LEU  29          2HD1      LEU  29   2.902   3.155  -0.105
  262   3HD1  LEU  29          3HD1      LEU  29   4.281   3.069  -1.200
  263   1HD2  LEU  29          1HD2      LEU  29   3.860   5.121   2.371
  264   2HD2  LEU  29          2HD2      LEU  29   2.813   5.388   0.978
  265   3HD2  LEU  29          3HD2      LEU  29   4.297   6.325   1.158
  266    H    LYS  30           H        LYS  30   6.555   2.557  -1.690
  267    HA   LYS  30           HA       LYS  30   9.352   3.249  -0.858
  268   1HB   LYS  30          2HB       LYS  30   8.123   2.091  -3.370
  269   2HB   LYS  30          1HB       LYS  30   9.810   2.596  -3.274
  270   1HG   LYS  30          2HG       LYS  30   8.996   0.903  -1.021
  271   2HG   LYS  30          1HG       LYS  30   8.849   0.092  -2.580
  272   1HD   LYS  30          2HD       LYS  30  11.339   1.644  -1.892
  273   2HD   LYS  30          1HD       LYS  30  11.137  -0.019  -1.341
  274   1HE   LYS  30          2HE       LYS  30  10.443   0.295  -4.173
  275   2HE   LYS  30          1HE       LYS  30  12.129   0.728  -3.829
  276   1HZ   LYS  30          1HZ       LYS  30  10.772  -1.753  -2.900
  277   2HZ   LYS  30          2HZ       LYS  30  12.394  -1.328  -2.607
  278   3HZ   LYS  30          3HZ       LYS  30  11.872  -1.667  -4.187
  279    H    SER  31           H        SER  31  10.452   4.755  -2.483
  280    HA   SER  31           HA       SER  31   9.070   7.298  -2.589
  281   1HB   SER  31          2HB       SER  31  11.683   6.270  -2.744
  282   2HB   SER  31          1HB       SER  31  11.415   7.053  -4.298
  283    HG   SER  31           HG       SER  31  12.206   8.383  -2.465
  284    H    ASP  32           H        ASP  32   9.137   4.609  -4.761
  285    HA   ASP  32           HA       ASP  32   8.697   6.151  -7.220
  286   1HB   ASP  32          2HB       ASP  32   9.862   4.008  -7.233
  287   2HB   ASP  32          1HB       ASP  32   8.491   3.217  -6.462
  288    H    GLY  33           H        GLY  33   6.741   5.307  -4.566
  289   1HA   GLY  33          2HA       GLY  33   4.436   5.835  -4.313
  290   2HA   GLY  33          1HA       GLY  33   4.306   6.017  -6.065
  291    H    SER  34           H        SER  34   5.736   3.241  -4.402
  292    HA   SER  34           HA       SER  34   3.444   1.563  -5.372
  293   1HB   SER  34          2HB       SER  34   5.162   1.027  -6.853
  294   2HB   SER  34          1HB       SER  34   6.422   1.348  -5.667
  295    HG   SER  34           HG       SER  34   4.667  -0.881  -5.818
  296    H    PHE  35           H        PHE  35   2.752  -0.020  -3.937
  297    HA   PHE  35           HA       PHE  35   4.023  -0.020  -1.220
  298   1HB   PHE  35          2HB       PHE  35   1.393   0.423  -2.163
  299   2HB   PHE  35          1HB       PHE  35   1.361  -1.168  -1.406
  300    HD1  PHE  35           1HD      PHE  35   0.430   1.921  -0.653
  301    HD2  PHE  35           2HD      PHE  35   3.309  -0.935   0.768
  302    HE1  PHE  35           1HE      PHE  35   0.383   2.987   1.583
  303    HE2  PHE  35           2HE      PHE  35   3.262   0.135   3.004
  304    HZ   PHE  35           HZ       PHE  35   1.797   2.092   3.410
  305    H    ILE  36           H        ILE  36   5.014  -1.938  -0.651
  306    HA   ILE  36           HA       ILE  36   4.419  -4.373  -2.293
  307    HB   ILE  36           HB       ILE  36   6.704  -3.574  -0.450
  308   1HG1  ILE  36          2HG1      ILE  36   6.743  -2.387  -2.583
  309   2HG1  ILE  36          1HG1      ILE  36   8.007  -3.615  -2.589
  310   1HG2  ILE  36          1HG2      ILE  36   6.147  -6.130  -1.963
  311   2HG2  ILE  36          2HG2      ILE  36   6.550  -5.937  -0.257
  312   3HG2  ILE  36          3HG2      ILE  36   7.781  -5.663  -1.489
  313   1HD1  ILE  36          1HD1      ILE  36   5.456  -3.513  -4.139
  314   2HD1  ILE  36          2HD1      ILE  36   6.043  -5.098  -3.636
  315   3HD1  ILE  36          3HD1      ILE  36   7.054  -4.061  -4.643
  316    H    GLY  37           H        GLY  37   3.087  -5.860  -1.340
  317   1HA   GLY  37          2HA       GLY  37   2.691  -5.745   1.608
  318   2HA   GLY  37          1HA       GLY  37   1.617  -6.546   0.463
  319    H    TYR  38           H        TYR  38   4.023  -7.070   2.737
  320    HA   TYR  38           HA       TYR  38   5.011  -9.592   1.493
  321   1HB   TYR  38          2HB       TYR  38   5.895  -7.619   3.477
  322   2HB   TYR  38          1HB       TYR  38   6.131  -9.275   4.026
  323    HD1  TYR  38           1HD      TYR  38   6.880 -10.844   1.807
  324    HD2  TYR  38           2HD      TYR  38   7.820  -6.715   2.543
  325    HE1  TYR  38           1HE      TYR  38   8.897 -11.045   0.381
  326    HE2  TYR  38           2HE      TYR  38   9.834  -6.918   1.110
  327    HH   TYR  38           HH       TYR  38  10.325  -9.256  -1.051
  328    H    LYS  39           H        LYS  39   4.192 -11.557   2.129
  329    HA   LYS  39           HA       LYS  39   1.894 -11.861   3.786
  330   1HB   LYS  39          2HB       LYS  39   2.784 -13.435   2.040
  331   2HB   LYS  39          1HB       LYS  39   4.086 -13.869   3.148
  332   1HG   LYS  39          2HG       LYS  39   2.125 -14.367   4.824
  333   2HG   LYS  39          1HG       LYS  39   1.147 -14.463   3.360
  334   1HD   LYS  39          2HD       LYS  39   1.883 -16.684   3.693
  335   2HD   LYS  39          1HD       LYS  39   2.985 -16.052   2.470
  336   1HE   LYS  39          2HE       LYS  39   4.213 -15.340   4.875
  337   2HE   LYS  39          1HE       LYS  39   3.582 -16.969   5.183
  338   1HZ   LYS  39          1HZ       LYS  39   5.128 -16.176   2.768
  339   2HZ   LYS  39          2HZ       LYS  39   4.571 -17.738   3.137
  340   3HZ   LYS  39          3HZ       LYS  39   5.773 -17.013   4.093
  341    H    GLU  40           H        GLU  40   5.361 -12.182   4.513
  342    HA   GLU  40           HA       GLU  40   4.757 -11.926   7.427
  343   1HB   GLU  40          2HB       GLU  40   5.029 -14.330   6.809
  344   2HB   GLU  40          1HB       GLU  40   6.617 -13.959   6.136
  345   1HG   GLU  40          2HG       GLU  40   6.898 -14.831   8.397
  346   2HG   GLU  40          1HG       GLU  40   7.325 -13.120   8.384
  347    H    ARG  41           H        ARG  41   6.216 -10.518   8.404
  348    HA   ARG  41           HA       ARG  41   7.854  -8.758   6.965
  349   1HB   ARG  41          2HB       ARG  41   8.887  -8.307   9.223
  350   2HB   ARG  41          1HB       ARG  41   7.126  -8.318   9.227
  351   1HG   ARG  41          2HG       ARG  41   7.235 -10.737   9.973
  352   2HG   ARG  41          1HG       ARG  41   8.975 -10.528  10.168
  353   1HD   ARG  41          2HD       ARG  41   8.162  -8.376  11.559
  354   2HD   ARG  41          1HD       ARG  41   6.747  -9.418  11.810
  355    HE   ARG  41           HE       ARG  41   8.742 -11.182  12.286
  356   1HH1  ARG  41          1HH2      ARG  41   8.310  -7.892  13.332
  357   2HH1  ARG  41          2HH2      ARG  41   9.203  -8.115  14.795
  358   1HH2  ARG  41          1HH1      ARG  41   9.898 -11.462  14.200
  359   2HH2  ARG  41          2HH1      ARG  41  10.100 -10.130  15.288
  360    HA   PRO  42           HA       PRO  42  11.218 -11.675   6.231
  361   1HB   PRO  42          2HB       PRO  42  11.873 -10.691   3.772
  362   2HB   PRO  42          1HB       PRO  42  10.531 -11.820   4.031
  363   1HG   PRO  42          2HG       PRO  42  10.465  -8.977   3.371
  364   2HG   PRO  42          1HG       PRO  42   9.204 -10.202   3.215
  365   1HD   PRO  42          2HD       PRO  42   9.514  -8.213   5.267
  366   2HD   PRO  42          1HD       PRO  42   8.207  -9.398   5.064
  367    H    GLU  43           H        GLU  43  13.571 -11.312   6.008
  368    HA   GLU  43           HA       GLU  43  14.490  -8.492   6.167
  369   1HB   GLU  43          2HB       GLU  43  14.214 -10.375   8.375
  370   2HB   GLU  43          1HB       GLU  43  15.885  -9.840   8.202
  371   1HG   GLU  43          2HG       GLU  43  15.063  -7.471   8.149
  372   2HG   GLU  43          1HG       GLU  43  13.441  -8.072   8.492
  373    H    ALA  44           H        ALA  44  15.666 -11.875   6.536
  374    HA   ALA  44           HA       ALA  44  17.428 -13.017   5.460
  375   1HB   ALA  44          1HB       ALA  44  17.292 -12.669   3.225
  376   2HB   ALA  44          2HB       ALA  44  17.920 -11.030   3.381
  377   3HB   ALA  44          3HB       ALA  44  16.196 -11.335   3.581
  378    HA   PRO  45           HA       PRO  45  21.203 -11.176   6.769
  379   1HB   PRO  45          2HB       PRO  45  23.031 -12.024   4.907
  380   2HB   PRO  45          1HB       PRO  45  22.331 -13.097   6.137
  381   1HG   PRO  45          2HG       PRO  45  21.612 -12.791   3.263
  382   2HG   PRO  45          1HG       PRO  45  21.710 -14.256   4.253
  383   1HD   PRO  45          2HD       PRO  45  19.359 -13.041   3.622
  384   2HD   PRO  45          1HD       PRO  45  19.604 -13.975   5.115
  385    H    ASP  46           H        ASP  46  20.681 -10.809   3.248
  386    HA   ASP  46           HA       ASP  46  21.769  -8.019   3.450
  387   1HB   ASP  46          2HB       ASP  46  23.228  -9.453   2.148
  388   2HB   ASP  46          1HB       ASP  46  21.864 -10.098   1.236
  389    H    GLN  47           H        GLN  47  19.988  -9.629   0.813
  390    HA   GLN  47           HA       GLN  47  17.441  -8.357   1.416
  391   1HB   GLN  47          2HB       GLN  47  19.240  -6.602   0.520
  392   2HB   GLN  47          1HB       GLN  47  18.751  -7.258  -1.044
  393   1HG   GLN  47          2HG       GLN  47  17.058  -5.749  -0.917
  394   2HG   GLN  47          1HG       GLN  47  16.323  -6.909   0.189
  395   1HE2  GLN  47          1HE2      GLN  47  16.279  -6.381   2.456
  396   2HE2  GLN  47          2HE2      GLN  47  16.792  -4.876   3.050
  397    H    THR  48           H        THR  48  18.062 -11.016   0.818
  398    HA   THR  48           HA       THR  48  17.282 -11.414  -2.039
  399    HB   THR  48           HB       THR  48  19.297 -12.535  -1.111
  400    HG1  THR  48           1HG      THR  48  17.178 -14.344  -1.641
  401   1HG2  THR  48          1HG2      THR  48  18.215 -14.602   0.441
  402   2HG2  THR  48          2HG2      THR  48  17.448 -13.134   1.043
  403   3HG2  THR  48          3HG2      THR  48  19.206 -13.262   1.015
  404    H    LEU  49           H        LEU  49  15.181 -10.441  -0.799
  405    HA   LEU  49           HA       LEU  49  13.494 -12.738   0.130
  406   1HB   LEU  49          2HB       LEU  49  13.129  -9.740   0.461
  407   2HB   LEU  49          1HB       LEU  49  12.163 -10.995   1.234
  408    HG   LEU  49           HG       LEU  49  15.150 -10.946   1.617
  409   1HD1  LEU  49          1HD1      LEU  49  13.522  -9.662   3.717
  410   2HD1  LEU  49          2HD1      LEU  49  13.651  -8.735   2.223
  411   3HD1  LEU  49          3HD1      LEU  49  15.108  -9.216   3.091
  412   1HD2  LEU  49          1HD2      LEU  49  12.769 -12.255   2.806
  413   2HD2  LEU  49          2HD2      LEU  49  13.991 -11.718   3.960
  414   3HD2  LEU  49          3HD2      LEU  49  14.427 -12.840   2.672
  415    HA   PRO  50           HA       PRO  50  11.500 -12.181  -3.840
  416   1HB   PRO  50          2HB       PRO  50   9.609 -14.134  -3.508
  417   2HB   PRO  50          1HB       PRO  50  11.297 -14.483  -3.933
  418   1HG   PRO  50          2HG       PRO  50   9.931 -14.672  -1.298
  419   2HG   PRO  50          1HG       PRO  50  11.161 -15.728  -2.011
  420   1HD   PRO  50          2HD       PRO  50  11.696 -13.845  -0.104
  421   2HD   PRO  50          1HD       PRO  50  12.888 -14.414  -1.293
  422    HA   PRO  51           HA       PRO  51   8.233  -9.507  -2.436
  423   1HB   PRO  51          2HB       PRO  51   7.194  -8.876  -4.892
  424   2HB   PRO  51          1HB       PRO  51   8.700  -8.176  -4.266
  425   1HG   PRO  51          2HG       PRO  51   8.310 -10.400  -6.209
  426   2HG   PRO  51          1HG       PRO  51   9.506  -9.094  -6.213
  427   1HD   PRO  51          2HD       PRO  51  10.078 -11.629  -5.417
  428   2HD   PRO  51          1HD       PRO  51  10.912 -10.195  -4.776
  429    H    LEU  52           H        LEU  52   6.314 -10.199  -1.599
  430    HA   LEU  52           HA       LEU  52   4.948 -12.559  -2.715
  431   1HB   LEU  52          2HB       LEU  52   4.982 -10.935  -0.233
  432   2HB   LEU  52          1HB       LEU  52   3.421 -11.648  -0.631
  433    HG   LEU  52           HG       LEU  52   4.701 -13.186   0.782
  434   1HD1  LEU  52          1HD1      LEU  52   3.384 -13.872  -1.472
  435   2HD1  LEU  52          2HD1      LEU  52   4.141 -15.060  -0.412
  436   3HD1  LEU  52          3HD1      LEU  52   4.978 -14.514  -1.864
  437   1HD2  LEU  52          1HD2      LEU  52   6.941 -12.229  -0.138
  438   2HD2  LEU  52          2HD2      LEU  52   6.752 -13.429  -1.415
  439   3HD2  LEU  52          3HD2      LEU  52   6.872 -13.944   0.266
  440    H    ASN  53           H        ASN  53   3.829  -9.258  -1.801
  441    HA   ASN  53           HA       ASN  53   1.902  -9.394  -4.104
  442   1HB   ASN  53          2HB       ASN  53   1.504  -8.283  -1.303
  443   2HB   ASN  53          1HB       ASN  53   0.312  -8.204  -2.597
  444   1HD2  ASN  53          1HD2      ASN  53   0.435 -10.782  -3.701
  445   2HD2  ASN  53          2HD2      ASN  53   0.018 -11.930  -2.522
  446    H    ASN  54           H        ASN  54   1.800  -7.524  -5.357
  447    HA   ASN  54           HA       ASN  54   3.518  -5.217  -4.484
  448   1HB   ASN  54          2HB       ASN  54   4.058  -6.815  -6.514
  449   2HB   ASN  54          1HB       ASN  54   2.833  -5.854  -7.343
  450   1HD2  ASN  54          1HD2      ASN  54   6.135  -5.974  -6.738
  451   2HD2  ASN  54          2HD2      ASN  54   6.506  -4.335  -6.977
  452    H    PHE  55           H        PHE  55   2.612  -3.176  -4.584
  453    HA   PHE  55           HA       PHE  55  -0.173  -2.921  -5.681
  454   1HB   PHE  55          2HB       PHE  55   0.457  -3.011  -3.066
  455   2HB   PHE  55          1HB       PHE  55   0.751  -1.298  -3.351
  456    HD1  PHE  55           1HD      PHE  55  -1.052   0.230  -3.816
  457    HD2  PHE  55           2HD      PHE  55  -1.791  -3.987  -3.477
  458    HE1  PHE  55           1HE      PHE  55  -3.489   0.666  -3.721
  459    HE2  PHE  55           2HE      PHE  55  -4.231  -3.552  -3.386
  460    HZ   PHE  55           HZ       PHE  55  -5.079  -1.226  -3.505
  461    H    SER  56           H        SER  56  -0.645  -0.865  -6.643
  462    HA   SER  56           HA       SER  56   1.732   0.924  -7.085
  463   1HB   SER  56          2HB       SER  56   1.099  -0.442  -9.046
  464   2HB   SER  56          1HB       SER  56  -0.552   0.161  -8.942
  465    HG   SER  56           HG       SER  56   0.067   2.006  -9.786
  466    H    VAL  57           H        VAL  57   1.394   2.953  -6.282
  467    HA   VAL  57           HA       VAL  57  -1.412   4.023  -6.227
  468    HB   VAL  57           HB       VAL  57  -0.565   3.161  -4.016
  469   1HG1  VAL  57          1HG1      VAL  57   1.580   5.174  -4.617
  470   2HG1  VAL  57          2HG1      VAL  57   1.726   3.562  -3.919
  471   3HG1  VAL  57          3HG1      VAL  57   1.110   4.892  -2.942
  472   1HG2  VAL  57          1HG2      VAL  57  -2.154   5.207  -4.419
  473   2HG2  VAL  57          2HG2      VAL  57  -0.786   6.155  -3.836
  474   3HG2  VAL  57          3HG2      VAL  57  -1.511   4.922  -2.803
  475    H    ALA  58           H        ALA  58   1.118   4.421  -7.994
  476    HA   ALA  58           HA       ALA  58   1.686   7.302  -7.524
  477   1HB   ALA  58          1HB       ALA  58   2.779   5.399  -9.613
  478   2HB   ALA  58          2HB       ALA  58   3.440   5.527  -7.983
  479   3HB   ALA  58          3HB       ALA  58   3.497   6.915  -9.069
  480    H    GLU  59           H        GLU  59  -0.132   5.206  -9.683
  481    HA   GLU  59           HA       GLU  59  -0.885   7.611 -11.312
  482   1HB   GLU  59          2HB       GLU  59  -1.273   5.739 -13.109
  483   2HB   GLU  59          1HB       GLU  59   0.368   6.282 -12.783
  484   1HG   GLU  59          2HG       GLU  59   0.288   3.829 -12.875
  485   2HG   GLU  59          1HG       GLU  59   0.687   4.356 -11.244
  486    H    CYS  60           H        CYS  60  -2.195   6.307  -8.867
  487    HA   CYS  60           HA       CYS  60  -4.882   5.920 -10.130
  488   1HB   CYS  60          2HB       CYS  60  -3.235   4.088  -8.521
  489   2HB   CYS  60          1HB       CYS  60  -4.878   4.268  -7.910
  490    H    GLN  61           H        GLN  61  -6.670   6.298  -8.550
  491    HA   GLN  61           HA       GLN  61  -5.983   8.517  -6.693
  492   1HB   GLN  61          2HB       GLN  61  -7.799   8.548  -8.504
  493   2HB   GLN  61          1HB       GLN  61  -8.699   7.428  -7.483
  494   1HG   GLN  61          2HG       GLN  61  -7.674   9.759  -6.018
  495   2HG   GLN  61          1HG       GLN  61  -8.808  10.184  -7.299
  496   1HE2  GLN  61          1HE2      GLN  61  -8.605   9.025  -4.081
  497   2HE2  GLN  61          2HE2      GLN  61 -10.217   8.522  -3.918
  498    H    LEU  62           H        LEU  62  -6.086   8.261  -4.467
  499    HA   LEU  62           HA       LEU  62  -7.287   5.718  -3.414
  500   1HB   LEU  62          2HB       LEU  62  -5.426   5.607  -1.861
  501   2HB   LEU  62          1HB       LEU  62  -4.768   5.823  -3.482
  502    HG   LEU  62           HG       LEU  62  -5.223   8.429  -2.483
  503   1HD1  LEU  62          1HD1      LEU  62  -5.371   7.471  -0.222
  504   2HD1  LEU  62          2HD1      LEU  62  -3.884   8.403  -0.398
  505   3HD1  LEU  62          3HD1      LEU  62  -3.833   6.642  -0.462
  506   1HD2  LEU  62          1HD2      LEU  62  -2.940   8.699  -2.940
  507   2HD2  LEU  62          2HD2      LEU  62  -3.357   7.314  -3.950
  508   3HD2  LEU  62          3HD2      LEU  62  -2.540   7.066  -2.406
  509    H    MET  63           H        MET  63  -8.222   5.879  -1.273
  510    HA   MET  63           HA       MET  63  -8.492   8.557  -0.040
  511   1HB   MET  63          2HB       MET  63 -10.924   8.570  -0.300
  512   2HB   MET  63          1HB       MET  63 -10.178   8.403  -1.888
  513   1HG   MET  63          2HG       MET  63 -10.418   5.785  -1.223
  514   2HG   MET  63          1HG       MET  63 -11.794   6.447  -0.339
  515   1HE   MET  63          1HE       MET  63 -12.108   4.336  -2.945
  516   2HE   MET  63          2HE       MET  63 -13.680   5.055  -3.281
  517   3HE   MET  63          3HE       MET  63 -13.137   4.883  -1.614
  518    H    LYS  64           H        LYS  64  -9.216   8.420   2.150
  519    HA   LYS  64           HA       LYS  64  -8.930   5.763   3.398
  520   1HB   LYS  64          2HB       LYS  64  -7.901   7.860   4.284
  521   2HB   LYS  64          1HB       LYS  64  -9.516   8.514   4.549
  522   1HG   LYS  64          2HG       LYS  64  -9.141   5.842   5.712
  523   2HG   LYS  64          1HG       LYS  64  -8.065   7.059   6.399
  524   1HD   LYS  64          2HD       LYS  64 -11.054   7.463   6.096
  525   2HD   LYS  64          1HD       LYS  64 -10.303   6.845   7.567
  526   1HE   LYS  64          2HE       LYS  64  -9.961   8.995   8.204
  527   2HE   LYS  64          1HE       LYS  64  -8.814   9.151   6.859
  528   1HZ   LYS  64          1HZ       LYS  64 -10.991   9.371   5.465
  529   2HZ   LYS  64          2HZ       LYS  64 -10.383  10.721   6.297
  530   3HZ   LYS  64          3HZ       LYS  64 -11.678   9.834   6.946
  531    H    THR  65           H        THR  65 -10.662   4.525   4.100
  532    HA   THR  65           HA       THR  65 -13.396   5.765   3.963
  533    HB   THR  65           HB       THR  65 -12.930   4.187   2.141
  534    HG1  THR  65           1HG      THR  65 -14.613   2.676   2.643
  535   1HG2  THR  65          1HG2      THR  65 -11.253   2.744   2.840
  536   2HG2  THR  65          2HG2      THR  65 -12.667   1.701   2.986
  537   3HG2  THR  65          3HG2      THR  65 -11.994   2.479   4.418
  538    H    GLU  66           H        GLU  66 -15.019   4.603   5.346
  539    HA   GLU  66           HA       GLU  66 -13.837   3.921   8.002
  540   1HB   GLU  66          2HB       GLU  66 -15.583   5.785   7.473
  541   2HB   GLU  66          1HB       GLU  66 -16.737   4.453   7.371
  542   1HG   GLU  66          2HG       GLU  66 -16.719   4.103   9.615
  543   2HG   GLU  66          1HG       GLU  66 -14.977   4.351   9.735
  544    H    ARG  67           H        ARG  67 -15.505   2.493   5.307
  545    HA   ARG  67           HA       ARG  67 -16.091   0.052   6.941
  546   1HB   ARG  67          2HB       ARG  67 -18.004  -0.279   5.587
  547   2HB   ARG  67          1HB       ARG  67 -17.966   1.466   5.828
  548   1HG   ARG  67          2HG       ARG  67 -16.867   1.758   3.646
  549   2HG   ARG  67          1HG       ARG  67 -16.854   0.011   3.407
  550   1HD   ARG  67          2HD       ARG  67 -19.014   0.001   2.714
  551   2HD   ARG  67          1HD       ARG  67 -19.529   1.016   4.074
  552    HE   ARG  67           HE       ARG  67 -18.669   1.978   1.428
  553   1HH1  ARG  67          1HH2      ARG  67 -19.209   2.712   4.788
  554   2HH1  ARG  67          2HH2      ARG  67 -19.374   4.411   4.512
  555   1HH2  ARG  67          1HH1      ARG  67 -18.889   4.197   1.085
  556   2HH2  ARG  67          2HH1      ARG  67 -19.191   5.249   2.425
  557    HA   PRO  68           HA       PRO  68 -16.965  -1.980   6.121
  558   1HB   PRO  68          2HB       PRO  68 -15.735  -4.323   6.844
  559   2HB   PRO  68          1HB       PRO  68 -16.550  -4.091   5.285
  560   1HG   PRO  68          2HG       PRO  68 -13.649  -3.969   5.938
  561   2HG   PRO  68          1HG       PRO  68 -14.458  -4.666   4.527
  562   1HD   PRO  68          2HD       PRO  68 -13.225  -2.252   4.471
  563   2HD   PRO  68          1HD       PRO  68 -14.633  -2.644   3.457
  564    H    ARG  69           H        ARG  69 -13.540  -1.914   7.109
  565    HA   ARG  69           HA       ARG  69 -14.386  -1.618   9.968
  566   1HB   ARG  69          2HB       ARG  69 -11.994  -2.651   8.494
  567   2HB   ARG  69          1HB       ARG  69 -11.720  -1.933  10.079
  568   1HG   ARG  69          2HG       ARG  69 -12.697  -3.671  11.171
  569   2HG   ARG  69          1HG       ARG  69 -13.993  -3.812   9.983
  570   1HD   ARG  69          2HD       ARG  69 -12.930  -5.516   8.936
  571   2HD   ARG  69          1HD       ARG  69 -11.438  -4.573   8.809
  572    HE   ARG  69           HE       ARG  69 -12.140  -6.418  11.010
  573   1HH1  ARG  69          1HH2      ARG  69 -10.090  -3.832   9.891
  574   2HH1  ARG  69          2HH2      ARG  69  -8.769  -4.277  10.911
  575   1HH2  ARG  69          1HH1      ARG  69 -10.414  -6.969  12.349
  576   2HH2  ARG  69          2HH1      ARG  69  -8.956  -6.035  12.307
  577    HA   PRO  70           HA       PRO  70 -13.297   2.647   9.863
  578   1HB   PRO  70          2HB       PRO  70 -12.285   3.002  12.390
  579   2HB   PRO  70          1HB       PRO  70 -14.019   2.812  12.052
  580   1HG   PRO  70          2HG       PRO  70 -12.044   0.783  12.999
  581   2HG   PRO  70          1HG       PRO  70 -13.711   1.066  13.531
  582   1HD   PRO  70          2HD       PRO  70 -13.063  -0.934  11.844
  583   2HD   PRO  70          1HD       PRO  70 -14.619  -0.075  11.744
  584    H    ASN  71           H        ASN  71 -11.411   4.089   9.831
  585    HA   ASN  71           HA       ASN  71  -9.174   4.590   9.287
  586   1HB   ASN  71          2HB       ASN  71  -8.772   2.253  11.191
  587   2HB   ASN  71          1HB       ASN  71  -7.511   3.381  10.702
  588   1HD2  ASN  71          1HD2      ASN  71  -9.116   2.825  13.373
  589   2HD2  ASN  71          2HD2      ASN  71  -9.508   4.392  13.894
  590    H    THR  72           H        THR  72 -10.150   3.433   7.157
  591    HA   THR  72           HA       THR  72  -8.230   1.236   6.425
  592    HB   THR  72           HB       THR  72 -11.187   1.614   5.938
  593    HG1  THR  72           1HG      THR  72  -9.499  -0.409   6.964
  594   1HG2  THR  72          1HG2      THR  72 -11.036  -0.329   4.360
  595   2HG2  THR  72          2HG2      THR  72  -9.281  -0.158   4.385
  596   3HG2  THR  72          3HG2      THR  72 -10.282   1.138   3.735
  597    H    PHE  73           H        PHE  73  -7.608   1.235   4.135
  598    HA   PHE  73           HA       PHE  73  -7.948   3.914   2.810
  599   1HB   PHE  73          2HB       PHE  73  -5.639   2.124   3.375
  600   2HB   PHE  73          1HB       PHE  73  -5.625   2.949   1.815
  601    HD1  PHE  73           1HD      PHE  73  -5.604   3.398   5.479
  602    HD2  PHE  73           2HD      PHE  73  -5.471   5.375   1.667
  603    HE1  PHE  73           1HE      PHE  73  -4.899   5.499   6.593
  604    HE2  PHE  73           2HE      PHE  73  -4.765   7.475   2.783
  605    HZ   PHE  73           HZ       PHE  73  -4.480   7.536   5.246
  606    H    VAL  74           H        VAL  74  -8.858   3.828   0.783
  607    HA   VAL  74           HA       VAL  74  -8.821   1.199  -0.678
  608    HB   VAL  74           HB       VAL  74 -11.018   3.290  -0.452
  609   1HG1  VAL  74          1HG1      VAL  74 -12.343   1.528  -1.720
  610   2HG1  VAL  74          2HG1      VAL  74 -10.807   0.730  -2.060
  611   3HG1  VAL  74          3HG1      VAL  74 -11.109   2.358  -2.667
  612   1HG2  VAL  74          1HG2      VAL  74 -12.129   1.829   0.973
  613   2HG2  VAL  74          2HG2      VAL  74 -10.460   1.503   1.435
  614   3HG2  VAL  74          3HG2      VAL  74 -11.300   0.412   0.334
  615    H    ILE  75           H        ILE  75  -8.090   1.338  -2.772
  616    HA   ILE  75           HA       ILE  75  -7.714   4.082  -3.928
  617    HB   ILE  75           HB       ILE  75  -5.592   3.066  -3.435
  618   1HG1  ILE  75          2HG1      ILE  75  -5.663   2.250  -6.281
  619   2HG1  ILE  75          1HG1      ILE  75  -6.268   3.873  -5.955
  620   1HG2  ILE  75          1HG2      ILE  75  -6.915   0.608  -4.502
  621   2HG2  ILE  75          2HG2      ILE  75  -5.877   0.801  -3.091
  622   3HG2  ILE  75          3HG2      ILE  75  -5.173   0.766  -4.707
  623   1HD1  ILE  75          1HD1      ILE  75  -3.734   3.087  -4.599
  624   2HD1  ILE  75          2HD1      ILE  75  -4.218   4.649  -5.262
  625   3HD1  ILE  75          3HD1      ILE  75  -3.655   3.369  -6.338
  626    H    ARG  76           H        ARG  76  -9.071   4.469  -5.594
  627    HA   ARG  76           HA       ARG  76 -10.016   2.156  -7.263
  628   1HB   ARG  76          2HB       ARG  76 -11.313   4.752  -6.385
  629   2HB   ARG  76          1HB       ARG  76 -12.009   3.709  -7.625
  630   1HG   ARG  76          2HG       ARG  76 -11.679   1.829  -5.802
  631   2HG   ARG  76          1HG       ARG  76 -11.676   3.196  -4.687
  632   1HD   ARG  76          2HD       ARG  76 -13.922   3.450  -4.879
  633   2HD   ARG  76          1HD       ARG  76 -13.833   3.418  -6.650
  634    HE   ARG  76           HE       ARG  76 -13.346   0.778  -5.642
  635   1HH1  ARG  76          1HH2      ARG  76 -15.879   3.132  -6.007
  636   2HH1  ARG  76          2HH2      ARG  76 -17.129   1.944  -6.132
  637   1HH2  ARG  76          1HH1      ARG  76 -14.983  -0.764  -5.804
  638   2HH2  ARG  76          2HH1      ARG  76 -16.625  -0.257  -6.018
  639    H    CYS  77           H        CYS  77  -9.895   2.399  -9.512
  640    HA   CYS  77           HA       CYS  77  -8.797   4.983 -10.567
  641   1HB   CYS  77          2HB       CYS  77  -7.566   2.391 -10.366
  642   2HB   CYS  77          1HB       CYS  77  -7.789   2.781 -12.071
  643    H    LEU  78           H        LEU  78  -9.503   5.505 -12.691
  644    HA   LEU  78           HA       LEU  78 -11.684   3.752 -13.785
  645   1HB   LEU  78          2HB       LEU  78 -12.698   5.901 -14.551
  646   2HB   LEU  78          1HB       LEU  78 -12.500   5.848 -12.802
  647    HG   LEU  78           HG       LEU  78 -10.126   6.920 -14.119
  648   1HD1  LEU  78          1HD1      LEU  78 -11.100   9.008 -14.905
  649   2HD1  LEU  78          2HD1      LEU  78 -12.713   8.473 -14.432
  650   3HD1  LEU  78          3HD1      LEU  78 -11.868   7.668 -15.754
  651   1HD2  LEU  78          1HD2      LEU  78 -12.058   8.206 -12.166
  652   2HD2  LEU  78          2HD2      LEU  78 -10.358   8.611 -12.411
  653   3HD2  LEU  78          3HD2      LEU  78 -10.800   7.069 -11.680
  654    H    GLN  79           H        GLN  79  -9.280   3.032 -14.716
  655    HA   GLN  79           HA       GLN  79  -9.284   4.027 -17.515
  656   1HB   GLN  79          2HB       GLN  79  -7.627   5.173 -15.686
  657   2HB   GLN  79          1HB       GLN  79  -6.615   3.829 -16.217
  658   1HG   GLN  79          2HG       GLN  79  -6.395   4.656 -18.350
  659   2HG   GLN  79          1HG       GLN  79  -8.001   5.385 -18.346
  660   1HE2  GLN  79          1HE2      GLN  79  -4.762   5.814 -16.805
  661   2HE2  GLN  79          2HE2      GLN  79  -4.876   7.504 -16.705
  662    H    TRP  80           H        TRP  80  -8.535   2.450 -18.973
  663    HA   TRP  80           HA       TRP  80  -7.921   0.317 -19.759
  664   1HB   TRP  80          2HB       TRP  80  -6.032   1.115 -17.986
  665   2HB   TRP  80          1HB       TRP  80  -6.591  -0.350 -17.179
  666    HD1  TRP  80           HD       TRP  80  -5.318   0.781 -20.649
  667    HE1  TRP  80           1HE      TRP  80  -4.104  -1.210 -21.749
  668    HE3  TRP  80           3HE      TRP  80  -6.158  -2.817 -17.125
  669    HZ2  TRP  80           2HZ      TRP  80  -3.565  -3.968 -21.202
  670    HZ3  TRP  80           3HZ      TRP  80  -5.286  -5.113 -17.439
  671    HH2  TRP  80           HH       TRP  80  -3.991  -5.694 -19.471
  672    H    THR  81           H        THR  81  -7.944  -2.153 -18.887
  673    HA   THR  81           HA       THR  81 -10.580  -2.495 -17.517
  674    HB   THR  81           HB       THR  81 -10.433  -4.749 -18.675
  675    HG1  THR  81           1HG      THR  81  -8.293  -5.026 -18.988
  676   1HG2  THR  81          1HG2      THR  81 -10.248  -3.396 -21.063
  677   2HG2  THR  81          2HG2      THR  81 -10.628  -2.100 -19.930
  678   3HG2  THR  81          3HG2      THR  81 -11.700  -3.493 -20.068
  679    H    THR  82           H        THR  82 -10.178  -5.261 -16.872
  680    HA   THR  82           HA       THR  82  -9.400  -6.595 -15.095
  681    HB   THR  82           HB       THR  82  -6.807  -5.079 -15.468
  682    HG1  THR  82           1HG      THR  82  -7.832  -7.151 -17.116
  683   1HG2  THR  82          1HG2      THR  82  -6.634  -6.753 -13.790
  684   2HG2  THR  82          2HG2      THR  82  -5.951  -7.487 -15.241
  685   3HG2  THR  82          3HG2      THR  82  -7.586  -7.902 -14.728
  686    H    VAL  83           H        VAL  83 -10.893  -4.702 -13.986
  687    HA   VAL  83           HA       VAL  83  -9.279  -3.180 -12.000
  688    HB   VAL  83           HB       VAL  83 -11.156  -2.187 -13.404
  689   1HG1  VAL  83          1HG1      VAL  83 -13.061  -3.467 -11.466
  690   2HG1  VAL  83          2HG1      VAL  83 -12.601  -4.334 -12.931
  691   3HG1  VAL  83          3HG1      VAL  83 -13.387  -2.760 -13.049
  692   1HG2  VAL  83          1HG2      VAL  83 -11.818  -0.727 -11.681
  693   2HG2  VAL  83          2HG2      VAL  83 -10.284  -1.370 -11.094
  694   3HG2  VAL  83          3HG2      VAL  83 -11.805  -2.006 -10.465
  695    H    ILE  84           H        ILE  84  -9.112  -3.876  -9.896
  696    HA   ILE  84           HA       ILE  84 -10.977  -6.039  -8.961
  697    HB   ILE  84           HB       ILE  84  -8.000  -5.733  -8.425
  698   1HG1  ILE  84          2HG1      ILE  84  -8.536  -8.116  -9.843
  699   2HG1  ILE  84          1HG1      ILE  84  -9.430  -6.851 -10.685
  700   1HG2  ILE  84          1HG2      ILE  84  -8.940  -6.931  -6.612
  701   2HG2  ILE  84          2HG2      ILE  84  -8.347  -8.183  -7.702
  702   3HG2  ILE  84          3HG2      ILE  84 -10.066  -7.796  -7.658
  703   1HD1  ILE  84          1HD1      ILE  84  -6.499  -6.677  -9.926
  704   2HD1  ILE  84          2HD1      ILE  84  -7.407  -5.489 -10.860
  705   3HD1  ILE  84          3HD1      ILE  84  -7.097  -7.090 -11.531
  706    H    GLU  85           H        GLU  85 -11.108  -6.147  -6.545
  707    HA   GLU  85           HA       GLU  85 -11.603  -3.578  -5.336
  708   1HB   GLU  85          2HB       GLU  85 -12.706  -5.792  -4.841
  709   2HB   GLU  85          1HB       GLU  85 -11.214  -6.306  -4.053
  710   1HG   GLU  85          2HG       GLU  85 -11.556  -3.996  -2.746
  711   2HG   GLU  85          1HG       GLU  85 -13.244  -4.307  -3.153
  712    H    ARG  86           H        ARG  86  -9.719  -2.290  -5.230
  713    HA   ARG  86           HA       ARG  86  -7.279  -3.427  -3.943
  714   1HB   ARG  86          2HB       ARG  86  -7.901  -0.914  -5.524
  715   2HB   ARG  86          1HB       ARG  86  -6.327  -1.223  -4.795
  716   1HG   ARG  86          2HG       ARG  86  -6.638  -3.557  -6.092
  717   2HG   ARG  86          1HG       ARG  86  -7.617  -2.530  -7.141
  718   1HD   ARG  86          2HD       ARG  86  -5.298  -1.015  -6.602
  719   2HD   ARG  86          1HD       ARG  86  -4.725  -2.659  -6.926
  720    HE   ARG  86           HE       ARG  86  -5.543  -2.476  -9.140
  721   1HH1  ARG  86          1HH2      ARG  86  -6.832   0.056  -7.130
  722   2HH1  ARG  86          2HH2      ARG  86  -7.478   0.948  -8.463
  723   1HH2  ARG  86          1HH1      ARG  86  -6.393  -1.303 -10.867
  724   2HH2  ARG  86          2HH1      ARG  86  -7.234   0.181 -10.572
  725    H    THR  87           H        THR  87  -8.100  -3.410  -1.741
  726    HA   THR  87           HA       THR  87  -8.103  -0.686  -0.508
  727    HB   THR  87           HB       THR  87 -10.429  -1.335  -0.784
  728    HG1  THR  87           1HG      THR  87 -11.030  -1.311   1.367
  729   1HG2  THR  87          1HG2      THR  87 -10.186  -3.720  -1.121
  730   2HG2  THR  87          2HG2      THR  87 -11.253  -3.466   0.260
  731   3HG2  THR  87          3HG2      THR  87  -9.573  -3.934   0.518
  732    H    PHE  88           H        PHE  88  -7.127  -0.632   1.560
  733    HA   PHE  88           HA       PHE  88  -6.238  -3.238   2.711
  734   1HB   PHE  88          2HB       PHE  88  -4.020  -2.736   2.453
  735   2HB   PHE  88          1HB       PHE  88  -4.614  -1.713   1.154
  736    HD1  PHE  88           1HD      PHE  88  -3.983  -1.606   4.858
  737    HD2  PHE  88           2HD      PHE  88  -4.007   0.543   1.139
  738    HE1  PHE  88           1HE      PHE  88  -3.027   0.372   5.993
  739    HE2  PHE  88           2HE      PHE  88  -3.048   2.524   2.283
  740    HZ   PHE  88           HZ       PHE  88  -2.557   2.434   4.715
  741    H    HIS  89           H        HIS  89  -6.026  -3.233   4.964
  742    HA   HIS  89           HA       HIS  89  -7.191  -0.855   6.374
  743   1HB   HIS  89          2HB       HIS  89  -7.101  -3.834   6.923
  744   2HB   HIS  89          1HB       HIS  89  -7.667  -2.669   8.115
  745    HD1  HIS  89           1HD      HIS  89 -10.066  -3.714   7.956
  746    HD2  HIS  89           2HD      HIS  89  -8.726  -2.024   4.402
  747    HE1  HIS  89           1HE      HIS  89 -12.098  -3.471   6.478
  748    H    VAL  90           H        VAL  90  -6.237  -0.305   8.481
  749    HA   VAL  90           HA       VAL  90  -3.337  -1.044   8.658
  750    HB   VAL  90           HB       VAL  90  -3.151   1.073   9.926
  751   1HG1  VAL  90          1HG1      VAL  90  -3.936   2.603   8.040
  752   2HG1  VAL  90          2HG1      VAL  90  -4.586   1.158   7.269
  753   3HG1  VAL  90          3HG1      VAL  90  -2.855   1.291   7.574
  754   1HG2  VAL  90          1HG2      VAL  90  -5.693   0.777  10.678
  755   2HG2  VAL  90          2HG2      VAL  90  -5.984   1.771   9.253
  756   3HG2  VAL  90          3HG2      VAL  90  -4.963   2.377  10.554
  757    H    ASP  91           H        ASP  91  -2.476  -1.520  10.812
  758    HA   ASP  91           HA       ASP  91  -4.389  -3.020  12.476
  759   1HB   ASP  91          2HB       ASP  91  -1.821  -3.406  11.744
  760   2HB   ASP  91          1HB       ASP  91  -1.553  -2.601  13.290
  761    H    SER  92           H        SER  92  -3.578   0.231  12.387
  762    HA   SER  92           HA       SER  92  -4.537   0.636  15.151
  763   1HB   SER  92          2HB       SER  92  -2.194   0.359  15.562
  764   2HB   SER  92          1HB       SER  92  -1.760   1.310  14.145
  765    HG   SER  92           HG       SER  92  -1.795   2.264  16.451
  766    HA   PRO  93           HA       PRO  93  -6.288   4.199  13.205
  767   1HB   PRO  93          2HB       PRO  93  -6.527   5.866  15.376
  768   2HB   PRO  93          1HB       PRO  93  -7.606   4.485  15.088
  769   1HG   PRO  93          2HG       PRO  93  -5.230   4.684  16.885
  770   2HG   PRO  93          1HG       PRO  93  -6.807   3.930  17.182
  771   1HD   PRO  93          2HD       PRO  93  -4.629   2.480  16.538
  772   2HD   PRO  93          1HD       PRO  93  -6.264   2.015  16.011
  773    H    ASP  94           H        ASP  94  -3.483   4.600  15.341
  774    HA   ASP  94           HA       ASP  94  -2.668   7.205  14.369
  775   1HB   ASP  94          2HB       ASP  94  -1.434   4.913  15.900
  776   2HB   ASP  94          1HB       ASP  94  -0.423   6.262  15.379
  777    H    GLU  95           H        GLU  95  -1.886   3.837  13.472
  778    HA   GLU  95           HA       GLU  95   0.197   4.343  11.595
  779   1HB   GLU  95          2HB       GLU  95  -0.971   2.155  12.634
  780   2HB   GLU  95          1HB       GLU  95  -1.812   2.190  11.083
  781   1HG   GLU  95          2HG       GLU  95   0.509   2.460  10.013
  782   2HG   GLU  95          1HG       GLU  95   1.165   2.008  11.584
  783    H    ARG  96           H        ARG  96  -3.355   4.229  11.152
  784    HA   ARG  96           HA       ARG  96  -3.496   4.561   8.343
  785   1HB   ARG  96          2HB       ARG  96  -5.587   4.279   9.206
  786   2HB   ARG  96          1HB       ARG  96  -5.156   5.045  10.732
  787   1HG   ARG  96          2HG       ARG  96  -5.246   7.280   9.483
  788   2HG   ARG  96          1HG       ARG  96  -5.995   6.397   8.153
  789   1HD   ARG  96          2HD       ARG  96  -7.962   6.056   9.312
  790   2HD   ARG  96          1HD       ARG  96  -7.147   5.992  10.883
  791    HE   ARG  96           HE       ARG  96  -7.955   8.452   9.451
  792   1HH1  ARG  96          1HH2      ARG  96  -6.073   7.000  11.994
  793   2HH1  ARG  96          2HH2      ARG  96  -6.053   8.434  12.959
  794   1HH2  ARG  96          1HH1      ARG  96  -7.912  10.323  10.726
  795   2HH2  ARG  96          2HH1      ARG  96  -7.078  10.307  12.243
  796    H    GLU  97           H        GLU  97  -3.090   7.013  10.904
  797    HA   GLU  97           HA       GLU  97  -3.183   9.327   9.187
  798   1HB   GLU  97          2HB       GLU  97  -2.335   8.611  11.956
  799   2HB   GLU  97          1HB       GLU  97  -1.687  10.114  11.296
  800   1HG   GLU  97          2HG       GLU  97  -4.258  10.392  10.534
  801   2HG   GLU  97          1HG       GLU  97  -4.497   9.404  11.974
  802    H    GLU  98           H        GLU  98  -0.493   7.288  10.374
  803    HA   GLU  98           HA       GLU  98   1.655   8.826   9.251
  804   1HB   GLU  98          2HB       GLU  98   1.774   7.004  10.991
  805   2HB   GLU  98          1HB       GLU  98   1.470   5.827   9.713
  806   1HG   GLU  98          2HG       GLU  98   3.765   5.784   9.640
  807   2HG   GLU  98          1HG       GLU  98   3.516   7.167   8.578
  808    H    TRP  99           H        TRP  99  -0.332   6.171   7.926
  809    HA   TRP  99           HA       TRP  99   1.089   5.762   5.472
  810   1HB   TRP  99          2HB       TRP  99  -1.834   5.487   6.246
  811   2HB   TRP  99          1HB       TRP  99  -1.167   4.873   4.736
  812    HD1  TRP  99           HD       TRP  99  -2.189   3.517   7.781
  813    HE1  TRP  99           1HE      TRP  99  -0.824   1.466   8.517
  814    HE3  TRP  99           3HE      TRP  99   1.930   4.090   4.814
  815    HZ2  TRP  99           2HZ      TRP  99   1.685   0.235   7.939
  816    HZ3  TRP  99           3HZ      TRP  99   3.795   2.462   4.934
  817    HH2  TRP  99           HH       TRP  99   3.677   0.537   6.493
  818    H    MET 100           H        MET 100  -1.713   7.854   6.230
  819    HA   MET 100           HA       MET 100  -2.140   8.990   3.669
  820   1HB   MET 100          2HB       MET 100  -3.470   9.125   5.876
  821   2HB   MET 100          1HB       MET 100  -2.389  10.448   6.310
  822   1HG   MET 100          2HG       MET 100  -3.439  10.742   3.601
  823   2HG   MET 100          1HG       MET 100  -4.725  10.672   4.806
  824   1HE   MET 100          1HE       MET 100  -4.031  12.208   7.391
  825   2HE   MET 100          2HE       MET 100  -5.384  12.165   6.264
  826   3HE   MET 100          3HE       MET 100  -4.689  13.713   6.736
  827    H    ARG 101           H        ARG 101  -0.002  10.099   6.318
  828    HA   ARG 101           HA       ARG 101   0.979  12.462   5.019
  829   1HB   ARG 101          2HB       ARG 101   2.167  10.599   7.102
  830   2HB   ARG 101          1HB       ARG 101   2.816  12.194   6.721
  831   1HG   ARG 101          2HG       ARG 101  -0.094  12.059   7.324
  832   2HG   ARG 101          1HG       ARG 101   1.002  11.791   8.679
  833   1HD   ARG 101          2HD       ARG 101   2.219  13.929   7.924
  834   2HD   ARG 101          1HD       ARG 101   0.798  14.235   6.905
  835    HE   ARG 101           HE       ARG 101   0.055  13.528   9.627
  836   1HH1  ARG 101          1HH2      ARG 101   1.125  16.109   7.552
  837   2HH1  ARG 101          2HH2      ARG 101   0.410  17.346   8.526
  838   1HH2  ARG 101          1HH1      ARG 101  -0.873  15.145  10.885
  839   2HH2  ARG 101          2HH1      ARG 101  -0.717  16.803  10.410
  840    H    ALA 102           H        ALA 102   2.187   9.099   5.058
  841    HA   ALA 102           HA       ALA 102   4.598   9.568   3.565
  842   1HB   ALA 102          1HB       ALA 102   4.344   7.556   4.819
  843   2HB   ALA 102          2HB       ALA 102   4.286   7.050   3.130
  844   3HB   ALA 102          3HB       ALA 102   2.794   7.191   4.060
  845    H    ILE 103           H        ILE 103   1.302   8.618   2.550
  846    HA   ILE 103           HA       ILE 103   1.858   8.282  -0.246
  847    HB   ILE 103           HB       ILE 103  -0.641   9.073   1.295
  848   1HG1  ILE 103          2HG1      ILE 103  -0.003   6.388   0.076
  849   2HG1  ILE 103          1HG1      ILE 103   0.604   6.812   1.675
  850   1HG2  ILE 103          1HG2      ILE 103  -0.481   7.923  -1.506
  851   2HG2  ILE 103          2HG2      ILE 103  -0.691   9.643  -1.181
  852   3HG2  ILE 103          3HG2      ILE 103  -1.920   8.492  -0.661
  853   1HD1  ILE 103          1HD1      ILE 103  -2.246   6.484   0.768
  854   2HD1  ILE 103          2HD1      ILE 103  -1.868   7.482   2.172
  855   3HD1  ILE 103          3HD1      ILE 103  -1.440   5.772   2.166
  856    H    GLN 104           H        GLN 104   0.892  11.143   1.665
  857    HA   GLN 104           HA       GLN 104   0.549  12.946  -0.551
  858   1HB   GLN 104          2HB       GLN 104   0.663  12.987   2.370
  859   2HB   GLN 104          1HB       GLN 104   1.395  14.429   1.666
  860   1HG   GLN 104          2HG       GLN 104  -1.098  13.675   0.329
  861   2HG   GLN 104          1HG       GLN 104  -1.325  14.017   2.044
  862   1HE2  GLN 104          1HE2      GLN 104  -0.155  15.441  -1.017
  863   2HE2  GLN 104          2HE2      GLN 104  -0.237  17.052  -0.486
  864    H    MET 105           H        MET 105   3.385  12.110   1.464
  865    HA   MET 105           HA       MET 105   5.194  14.065   0.401
  866   1HB   MET 105          2HB       MET 105   5.461  12.622   2.455
  867   2HB   MET 105          1HB       MET 105   5.779  11.252   1.390
  868   1HG   MET 105          2HG       MET 105   7.777  12.233   0.547
  869   2HG   MET 105          1HG       MET 105   7.370  13.816   1.212
  870   1HE   MET 105          1HE       MET 105   8.304  14.636   3.549
  871   2HE   MET 105          2HE       MET 105   9.378  14.285   2.196
  872   3HE   MET 105          3HE       MET 105   9.839  13.801   3.827
  873    H    VAL 106           H        VAL 106   4.432  10.726  -0.617
  874    HA   VAL 106           HA       VAL 106   6.332  10.625  -2.798
  875    HB   VAL 106           HB       VAL 106   3.748   9.138  -2.192
  876   1HG1  VAL 106          1HG1      VAL 106   5.593   9.023  -4.489
  877   2HG1  VAL 106          2HG1      VAL 106   3.945   8.413  -4.338
  878   3HG1  VAL 106          3HG1      VAL 106   5.298   7.459  -3.728
  879   1HG2  VAL 106          1HG2      VAL 106   5.049   8.221  -0.580
  880   2HG2  VAL 106          2HG2      VAL 106   6.506   8.977  -1.226
  881   3HG2  VAL 106          3HG2      VAL 106   5.941   7.443  -1.888
  882    H    ALA 107           H        ALA 107   2.849  11.413  -2.595
  883    HA   ALA 107           HA       ALA 107   2.345  11.841  -5.368
  884   1HB   ALA 107          1HB       ALA 107   0.647  11.644  -3.576
  885   2HB   ALA 107          2HB       ALA 107   0.418  13.130  -4.498
  886   3HB   ALA 107          3HB       ALA 107   1.178  13.187  -2.907
  887    H    ASN 108           H        ASN 108   3.606  14.036  -2.852
  888    HA   ASN 108           HA       ASN 108   3.569  16.483  -4.307
  889   1HB   ASN 108          2HB       ASN 108   4.974  15.278  -1.988
  890   2HB   ASN 108          1HB       ASN 108   5.795  16.653  -2.727
  891   1HD2  ASN 108          1HD2      ASN 108   2.763  15.663  -1.123
  892   2HD2  ASN 108          2HD2      ASN 108   2.249  17.241  -0.769
  893    H    SER 109           H        SER 109   5.965  13.845  -4.265
  894    HA   SER 109           HA       SER 109   7.771  15.270  -6.118
  895   1HB   SER 109          2HB       SER 109   7.787  12.445  -5.003
  896   2HB   SER 109          1HB       SER 109   9.138  13.246  -5.803
  897    HG   SER 109           HG       SER 109   8.285  13.425  -3.236
  898    H    LEU 110           H        LEU 110   5.364  12.668  -6.217
  899    HA   LEU 110           HA       LEU 110   5.922  11.513  -8.743
  900   1HB   LEU 110          2HB       LEU 110   3.769  11.669  -6.790
  901   2HB   LEU 110          1HB       LEU 110   3.126  11.616  -8.429
  902    HG   LEU 110           HG       LEU 110   4.275   9.564  -8.909
  903   1HD1  LEU 110          1HD1      LEU 110   5.609   8.585  -6.810
  904   2HD1  LEU 110          2HD1      LEU 110   5.839  10.299  -6.469
  905   3HD1  LEU 110          3HD1      LEU 110   6.399   9.622  -7.997
  906   1HD2  LEU 110          1HD2      LEU 110   3.463   8.096  -7.005
  907   2HD2  LEU 110          2HD2      LEU 110   2.249   9.188  -7.671
  908   3HD2  LEU 110          3HD2      LEU 110   3.042   9.575  -6.144
  909    H    LYS 111           H        LYS 111   4.061  14.449  -7.936
  910    HA   LYS 111           HA       LYS 111   3.275  16.209  -9.284
  911   1HB   LYS 111          2HB       LYS 111   5.475  15.115 -11.078
  912   2HB   LYS 111          1HB       LYS 111   4.756  16.718 -11.210
  913   1HG   LYS 111          2HG       LYS 111   5.569  16.325  -8.490
  914   2HG   LYS 111          1HG       LYS 111   6.920  15.898  -9.540
  915   1HD   LYS 111          2HD       LYS 111   7.324  18.133  -9.581
  916   2HD   LYS 111          1HD       LYS 111   5.997  18.185 -10.741
  917   1HE   LYS 111          2HE       LYS 111   4.883  19.531  -9.294
  918   2HE   LYS 111          1HE       LYS 111   4.786  18.158  -8.174
  919   1HZ   LYS 111          1HZ       LYS 111   6.960  18.707  -7.318
  920   2HZ   LYS 111          2HZ       LYS 111   5.956  20.072  -7.198
  921   3HZ   LYS 111          3HZ       LYS 111   7.126  19.980  -8.428
  Start of MODEL   16
    1   1H    MET   1          1H        MET   1  20.280   3.639 -12.100
    2   2H    MET   1          2H        MET   1  21.446   3.578 -10.865
    3   3H    MET   1          3H        MET   1  21.376   4.919 -11.904
    4    HA   MET   1           HA       MET   1  20.379   5.213  -9.585
    5   1HB   MET   1          2HB       MET   1  19.362   5.876 -12.305
    6   2HB   MET   1          1HB       MET   1  18.285   6.255 -10.961
    7   1HG   MET   1          2HG       MET   1  21.111   7.020 -10.539
    8   2HG   MET   1          1HG       MET   1  20.282   7.907 -11.819
    9   1HE   MET   1          1HE       MET   1  21.279   8.761  -8.419
   10   2HE   MET   1          2HE       MET   1  20.847   7.055  -8.365
   11   3HE   MET   1          3HE       MET   1  19.958   8.213  -7.378
   12    H    ASN   2           H        ASN   2  19.932   2.340 -10.029
   13    HA   ASN   2           HA       ASN   2  16.969   2.063  -9.773
   14   1HB   ASN   2          2HB       ASN   2  19.278   0.155 -10.249
   15   2HB   ASN   2          1HB       ASN   2  17.629  -0.404  -9.968
   16   1HD2  ASN   2          1HD2      ASN   2  19.700   0.159 -12.467
   17   2HD2  ASN   2          2HD2      ASN   2  18.593   0.622 -13.668
   18    H    GLU   3           H        GLU   3  17.616   3.278  -7.566
   19    HA   GLU   3           HA       GLU   3  17.681   1.168  -5.469
   20   1HB   GLU   3          2HB       GLU   3  19.403   2.637  -4.255
   21   2HB   GLU   3          1HB       GLU   3  19.995   1.761  -5.664
   22   1HG   GLU   3          2HG       GLU   3  19.586   3.830  -7.041
   23   2HG   GLU   3          1HG       GLU   3  19.185   4.684  -5.551
   24    H    VAL   4           H        VAL   4  15.332   2.110  -5.741
   25    HA   VAL   4           HA       VAL   4  14.752   4.769  -4.745
   26    HB   VAL   4           HB       VAL   4  13.136   2.218  -5.065
   27   1HG1  VAL   4          1HG1      VAL   4  12.115   5.031  -4.580
   28   2HG1  VAL   4          2HG1      VAL   4  12.150   3.763  -3.356
   29   3HG1  VAL   4          3HG1      VAL   4  11.140   3.577  -4.789
   30   1HG2  VAL   4          1HG2      VAL   4  14.103   3.361  -7.113
   31   2HG2  VAL   4          2HG2      VAL   4  13.124   4.770  -6.702
   32   3HG2  VAL   4          3HG2      VAL   4  12.344   3.239  -7.101
   33    H    SER   5           H        SER   5  14.407   5.436  -2.623
   34    HA   SER   5           HA       SER   5  15.074   3.525  -0.461
   35   1HB   SER   5          2HB       SER   5  14.919   6.469  -0.877
   36   2HB   SER   5          1HB       SER   5  14.636   5.895   0.763
   37    HG   SER   5           HG       SER   5  16.697   5.552   0.906
   38    H    VAL   6           H        VAL   6  13.678   3.413   1.483
   39    HA   VAL   6           HA       VAL   6  10.813   3.272   0.742
   40    HB   VAL   6           HB       VAL   6  12.422   2.417   3.172
   41   1HG1  VAL   6          1HG1      VAL   6   9.530   1.841   2.451
   42   2HG1  VAL   6          2HG1      VAL   6  10.069   2.882   3.768
   43   3HG1  VAL   6          3HG1      VAL   6  10.403   1.152   3.820
   44   1HG2  VAL   6          1HG2      VAL   6  12.933   1.157   1.123
   45   2HG2  VAL   6          2HG2      VAL   6  11.214   0.868   0.856
   46   3HG2  VAL   6          3HG2      VAL   6  12.025   0.145   2.246
   47    H    ILE   7           H        ILE   7   9.240   4.612   1.604
   48    HA   ILE   7           HA       ILE   7  10.170   6.952   3.192
   49    HB   ILE   7           HB       ILE   7   7.960   6.285   1.304
   50   1HG1  ILE   7          2HG1      ILE   7   8.437   8.640   0.602
   51   2HG1  ILE   7          1HG1      ILE   7   9.619   8.754   1.903
   52   1HG2  ILE   7          1HG2      ILE   7   6.550   6.911   3.129
   53   2HG2  ILE   7          2HG2      ILE   7   6.710   8.358   2.136
   54   3HG2  ILE   7          3HG2      ILE   7   7.643   8.203   3.624
   55   1HD1  ILE   7          1HD1      ILE   7  10.508   8.136  -0.434
   56   2HD1  ILE   7          2HD1      ILE   7   9.760   6.563  -0.166
   57   3HD1  ILE   7          3HD1      ILE   7  11.032   7.129   0.914
   58    H    LYS   8           H        LYS   8   7.820   4.253   3.352
   59    HA   LYS   8           HA       LYS   8   7.773   4.587   6.303
   60   1HB   LYS   8          2HB       LYS   8   5.994   6.032   5.170
   61   2HB   LYS   8          1HB       LYS   8   5.218   4.527   4.679
   62   1HG   LYS   8          2HG       LYS   8   4.170   5.189   6.735
   63   2HG   LYS   8          1HG       LYS   8   5.242   3.846   7.131
   64   1HD   LYS   8          2HD       LYS   8   6.950   5.944   7.446
   65   2HD   LYS   8          1HD       LYS   8   5.425   6.699   7.911
   66   1HE   LYS   8          2HE       LYS   8   5.010   4.842   9.520
   67   2HE   LYS   8          1HE       LYS   8   6.585   4.146   9.090
   68   1HZ   LYS   8          1HZ       LYS   8   6.938   5.542  10.964
   69   2HZ   LYS   8          2HZ       LYS   8   6.056   6.820  10.275
   70   3HZ   LYS   8          3HZ       LYS   8   7.560   6.370   9.622
   71    H    GLU   9           H        GLU   9   7.578   2.642   7.327
   72    HA   GLU   9           HA       GLU   9   6.754   0.251   5.713
   73   1HB   GLU   9          2HB       GLU   9   8.539  -0.962   6.768
   74   2HB   GLU   9          1HB       GLU   9   9.239   0.574   6.264
   75   1HG   GLU   9          2HG       GLU   9   8.541   1.358   8.682
   76   2HG   GLU   9          1HG       GLU   9   8.537  -0.370   9.030
   77    H    GLY  10           H        GLY  10   5.171  -1.023   6.691
   78   1HA   GLY  10          2HA       GLY  10   4.781  -1.098   9.564
   79   2HA   GLY  10          1HA       GLY  10   3.566  -0.094   8.782
   80    H    TRP  11           H        TRP  11   2.658  -2.296  10.087
   81    HA   TRP  11           HA       TRP  11   2.343  -4.497   8.109
   82   1HB   TRP  11          2HB       TRP  11   1.866  -4.059  11.042
   83   2HB   TRP  11          1HB       TRP  11   0.996  -5.359  10.227
   84    HD1  TRP  11           HD       TRP  11   4.519  -4.233  11.175
   85    HE1  TRP  11           1HE      TRP  11   6.126  -6.242  10.931
   86    HE3  TRP  11           3HE      TRP  11   1.377  -7.624   9.006
   87    HZ2  TRP  11           2HZ      TRP  11   6.081  -8.919   9.939
   88    HZ3  TRP  11           3HZ      TRP  11   2.185  -9.893   8.421
   89    HH2  TRP  11           HH       TRP  11   4.531 -10.543   8.885
   90    H    LEU  12           H        LEU  12   0.504  -4.681   6.888
   91    HA   LEU  12           HA       LEU  12  -1.888  -3.045   7.675
   92   1HB   LEU  12          2HB       LEU  12  -0.752  -3.647   4.922
   93   2HB   LEU  12          1HB       LEU  12  -2.218  -2.721   5.230
   94    HG   LEU  12           HG       LEU  12   0.568  -1.980   6.181
   95   1HD1  LEU  12          1HD1      LEU  12  -0.069  -1.750   3.679
   96   2HD1  LEU  12          2HD1      LEU  12   0.582  -0.329   4.494
   97   3HD1  LEU  12          3HD1      LEU  12  -1.154  -0.468   4.219
   98   1HD2  LEU  12          1HD2      LEU  12  -1.292   0.179   6.298
   99   2HD2  LEU  12          2HD2      LEU  12  -0.472  -0.614   7.643
  100   3HD2  LEU  12          3HD2      LEU  12  -2.043  -1.201   7.098
  101    H    HIS  13           H        HIS  13  -3.920  -4.027   7.303
  102    HA   HIS  13           HA       HIS  13  -3.870  -6.990   7.057
  103   1HB   HIS  13          2HB       HIS  13  -5.568  -4.871   8.227
  104   2HB   HIS  13          1HB       HIS  13  -6.462  -6.223   7.532
  105    HD1  HIS  13           1HD      HIS  13  -6.325  -8.477   8.721
  106    HD2  HIS  13           2HD      HIS  13  -3.806  -5.611  10.397
  107    HE1  HIS  13           1HE      HIS  13  -5.480  -9.453  10.901
  108    H    LYS  14           H        LYS  14  -4.546  -8.020   5.205
  109    HA   LYS  14           HA       LYS  14  -6.063  -6.411   3.171
  110   1HB   LYS  14          2HB       LYS  14  -3.735  -6.763   2.507
  111   2HB   LYS  14          1HB       LYS  14  -3.882  -8.494   2.819
  112   1HG   LYS  14          2HG       LYS  14  -5.418  -8.791   1.011
  113   2HG   LYS  14          1HG       LYS  14  -5.658  -7.053   0.838
  114   1HD   LYS  14          2HD       LYS  14  -2.999  -7.133   0.456
  115   2HD   LYS  14          1HD       LYS  14  -3.400  -8.759  -0.100
  116   1HE   LYS  14          2HE       LYS  14  -5.284  -6.765  -1.131
  117   2HE   LYS  14          1HE       LYS  14  -3.614  -6.435  -1.630
  118   1HZ   LYS  14          1HZ       LYS  14  -4.796  -8.038  -3.098
  119   2HZ   LYS  14          2HZ       LYS  14  -4.893  -9.117  -1.789
  120   3HZ   LYS  14          3HZ       LYS  14  -3.377  -8.663  -2.412
  121    H    ARG  15           H        ARG  15  -7.833  -7.426   2.250
  122    HA   ARG  15           HA       ARG  15  -8.894  -9.844   3.504
  123   1HB   ARG  15          2HB       ARG  15 -10.483  -8.206   2.917
  124   2HB   ARG  15          1HB       ARG  15  -9.708  -7.879   1.370
  125   1HG   ARG  15          2HG       ARG  15 -10.381 -10.261   0.697
  126   2HG   ARG  15          1HG       ARG  15 -11.409 -10.262   2.131
  127   1HD   ARG  15          2HD       ARG  15 -12.993  -9.246   0.864
  128   2HD   ARG  15          1HD       ARG  15 -11.955  -7.811   0.845
  129    HE   ARG  15           HE       ARG  15 -12.038  -9.917  -1.259
  130   1HH1  ARG  15          1HH2      ARG  15 -10.680  -6.948  -0.024
  131   2HH1  ARG  15          2HH2      ARG  15 -10.041  -6.466  -1.556
  132   1HH2  ARG  15          1HH1      ARG  15 -11.183  -9.285  -3.236
  133   2HH2  ARG  15          2HH1      ARG  15 -10.316  -7.789  -3.370
  134    H    GLY  16           H        GLY  16  -9.190 -11.892   2.414
  135   1HA   GLY  16          2HA       GLY  16  -7.083 -12.769   0.725
  136   2HA   GLY  16          1HA       GLY  16  -8.593 -13.644   0.968
  137    H    GLU  17           H        GLU  17 -10.154 -13.572  -0.657
  138    HA   GLU  17           HA       GLU  17  -9.679 -11.708  -2.959
  139   1HB   GLU  17          2HB       GLU  17 -10.283 -14.680  -3.140
  140   2HB   GLU  17          1HB       GLU  17  -9.965 -13.598  -4.490
  141   1HG   GLU  17          2HG       GLU  17  -7.942 -13.992  -2.284
  142   2HG   GLU  17          1HG       GLU  17  -8.018 -15.081  -3.665
  143    H    TYR  18           H        TYR  18 -11.905 -14.310  -1.929
  144    HA   TYR  18           HA       TYR  18 -14.214 -12.538  -2.644
  145   1HB   TYR  18          2HB       TYR  18 -15.403 -14.704  -3.017
  146   2HB   TYR  18          1HB       TYR  18 -13.977 -14.540  -4.037
  147    HD1  TYR  18           1HD      TYR  18 -15.400 -16.228  -1.076
  148    HD2  TYR  18           2HD      TYR  18 -12.009 -15.939  -3.699
  149    HE1  TYR  18           1HE      TYR  18 -14.491 -18.333  -0.133
  150    HE2  TYR  18           2HE      TYR  18 -11.101 -18.044  -2.754
  151    HH   TYR  18           HH       TYR  18 -12.713 -20.226  -1.244
  152    H    ILE  19           H        ILE  19 -12.873 -14.703  -0.164
  153    HA   ILE  19           HA       ILE  19 -15.174 -14.749   1.567
  154    HB   ILE  19           HB       ILE  19 -13.135 -16.274   1.538
  155   1HG1  ILE  19          2HG1      ILE  19 -13.510 -15.113   4.292
  156   2HG1  ILE  19          1HG1      ILE  19 -14.854 -15.915   3.479
  157   1HG2  ILE  19          1HG2      ILE  19 -11.701 -13.954   1.719
  158   2HG2  ILE  19          2HG2      ILE  19 -11.069 -15.541   2.157
  159   3HG2  ILE  19          3HG2      ILE  19 -11.713 -14.474   3.405
  160   1HD1  ILE  19          1HD1      ILE  19 -13.880 -17.703   4.608
  161   2HD1  ILE  19          2HD1      ILE  19 -12.246 -17.070   4.410
  162   3HD1  ILE  19          3HD1      ILE  19 -13.076 -17.810   3.041
  163    H    LYS  20           H        LYS  20 -15.222 -13.630   3.752
  164    HA   LYS  20           HA       LYS  20 -14.368 -10.784   3.445
  165   1HB   LYS  20          2HB       LYS  20 -16.339 -12.067   5.369
  166   2HB   LYS  20          1HB       LYS  20 -16.168 -10.346   5.035
  167   1HG   LYS  20          2HG       LYS  20 -16.921 -12.395   2.930
  168   2HG   LYS  20          1HG       LYS  20 -18.098 -11.446   3.836
  169   1HD   LYS  20          2HD       LYS  20 -16.706  -9.390   3.032
  170   2HD   LYS  20          1HD       LYS  20 -16.072 -10.504   1.819
  171   1HE   LYS  20          2HE       LYS  20 -18.439 -11.049   1.156
  172   2HE   LYS  20          1HE       LYS  20 -18.989  -9.777   2.265
  173   1HZ   LYS  20          1HZ       LYS  20 -17.482  -8.226   1.105
  174   2HZ   LYS  20          2HZ       LYS  20 -18.694  -8.837   0.084
  175   3HZ   LYS  20          3HZ       LYS  20 -17.111  -9.443  -0.017
  176    H    THR  21           H        THR  21 -12.230 -12.387   4.141
  177    HA   THR  21           HA       THR  21 -11.900 -11.896   7.088
  178    HB   THR  21           HB       THR  21 -10.488 -13.970   5.394
  179    HG1  THR  21           1HG      THR  21 -12.875 -14.168   6.916
  180   1HG2  THR  21          1HG2      THR  21  -9.436 -13.356   7.546
  181   2HG2  THR  21          2HG2      THR  21 -10.034 -15.015   7.567
  182   3HG2  THR  21          3HG2      THR  21 -10.942 -13.740   8.380
  183    H    TRP  22           H        TRP  22 -10.108 -10.691   7.672
  184    HA   TRP  22           HA       TRP  22  -8.322  -9.743   5.462
  185   1HB   TRP  22          2HB       TRP  22  -9.126  -8.540   8.134
  186   2HB   TRP  22          1HB       TRP  22  -7.996  -7.788   7.008
  187    HD1  TRP  22           HD       TRP  22 -11.678  -8.824   7.304
  188    HE1  TRP  22           1HE      TRP  22 -13.057  -7.471   5.603
  189    HE3  TRP  22           3HE      TRP  22  -7.912  -6.414   4.835
  190    HZ2  TRP  22           2HZ      TRP  22 -12.623  -5.607   3.473
  191    HZ3  TRP  22           3HZ      TRP  22  -8.423  -4.857   2.977
  192    HH2  TRP  22           HH       TRP  22 -10.771  -4.451   2.292
  193    H    ARG  23           H        ARG  23  -6.204 -10.346   5.550
  194    HA   ARG  23           HA       ARG  23  -5.177 -11.599   8.069
  195   1HB   ARG  23          2HB       ARG  23  -4.515 -11.851   5.125
  196   2HB   ARG  23          1HB       ARG  23  -3.484 -12.540   6.379
  197   1HG   ARG  23          2HG       ARG  23  -4.855 -14.312   6.574
  198   2HG   ARG  23          1HG       ARG  23  -6.214 -13.248   6.935
  199   1HD   ARG  23          2HD       ARG  23  -6.735 -12.989   4.586
  200   2HD   ARG  23          1HD       ARG  23  -5.250 -13.836   4.112
  201    HE   ARG  23           HE       ARG  23  -7.688 -15.093   5.159
  202   1HH1  ARG  23          1HH2      ARG  23  -4.249 -15.354   4.678
  203   2HH1  ARG  23          2HH2      ARG  23  -4.250 -17.081   4.762
  204   1HH2  ARG  23          1HH1      ARG  23  -7.667 -17.349   5.269
  205   2HH2  ARG  23          2HH1      ARG  23  -6.173 -18.206   5.094
  206    HA   PRO  24           HA       PRO  24  -2.446  -8.145   8.482
  207   1HB   PRO  24          2HB       PRO  24  -0.648  -9.265  10.216
  208   2HB   PRO  24          1HB       PRO  24  -2.266  -8.729  10.711
  209   1HG   PRO  24          2HG       PRO  24  -1.273 -11.471  10.132
  210   2HG   PRO  24          1HG       PRO  24  -2.421 -10.920  11.361
  211   1HD   PRO  24          2HD       PRO  24  -3.152 -12.137   9.022
  212   2HD   PRO  24          1HD       PRO  24  -4.196 -11.026   9.934
  213    H    ARG  25           H        ARG  25  -0.833  -7.490   7.116
  214    HA   ARG  25           HA       ARG  25   1.327  -9.409   6.349
  215   1HB   ARG  25          2HB       ARG  25  -0.653  -7.943   4.616
  216   2HB   ARG  25          1HB       ARG  25   0.936  -8.359   3.977
  217   1HG   ARG  25          2HG       ARG  25   0.425 -10.564   3.818
  218   2HG   ARG  25          1HG       ARG  25  -0.400 -10.578   5.377
  219   1HD   ARG  25          2HD       ARG  25  -2.452 -10.155   4.441
  220   2HD   ARG  25          1HD       ARG  25  -1.776  -9.072   3.210
  221    HE   ARG  25           HE       ARG  25  -2.088 -11.971   2.957
  222   1HH1  ARG  25          1HH2      ARG  25  -0.304  -9.159   1.936
  223   2HH1  ARG  25          2HH2      ARG  25   0.136  -9.846   0.410
  224   1HH2  ARG  25          1HH1      ARG  25  -1.524 -12.844   0.958
  225   2HH2  ARG  25          2HH1      ARG  25  -0.552 -11.928  -0.140
  226    H    TYR  26           H        TYR  26   3.338  -8.372   6.064
  227    HA   TYR  26           HA       TYR  26   3.598  -5.652   7.098
  228   1HB   TYR  26          2HB       TYR  26   5.170  -7.610   7.436
  229   2HB   TYR  26          1HB       TYR  26   5.647  -7.438   5.748
  230    HD1  TYR  26           1HD      TYR  26   7.935  -6.804   6.063
  231    HD2  TYR  26           2HD      TYR  26   4.800  -4.622   8.034
  232    HE1  TYR  26           1HE      TYR  26   9.556  -5.040   6.694
  233    HE2  TYR  26           2HE      TYR  26   6.423  -2.858   8.660
  234    HH   TYR  26           HH       TYR  26   9.252  -2.992   8.980
  235    H    PHE  27           H        PHE  27   3.327  -3.843   5.840
  236    HA   PHE  27           HA       PHE  27   3.835  -4.082   2.889
  237   1HB   PHE  27          2HB       PHE  27   1.790  -2.765   4.601
  238   2HB   PHE  27          1HB       PHE  27   2.287  -1.879   3.160
  239    HD1  PHE  27           1HD      PHE  27   1.060  -5.207   4.328
  240    HD2  PHE  27           2HD      PHE  27   1.504  -2.506   1.017
  241    HE1  PHE  27           1HE      PHE  27  -0.341  -6.695   2.927
  242    HE2  PHE  27           2HE      PHE  27   0.102  -3.995  -0.384
  243    HZ   PHE  27           HZ       PHE  27  -0.820  -6.089   0.571
  244    H    LEU  28           H        LEU  28   5.034  -2.428   1.872
  245    HA   LEU  28           HA       LEU  28   6.319  -0.397   3.673
  246   1HB   LEU  28          2HB       LEU  28   7.452  -2.696   2.384
  247   2HB   LEU  28          1HB       LEU  28   8.140  -1.250   1.647
  248    HG   LEU  28           HG       LEU  28   8.276  -0.503   4.227
  249   1HD1  LEU  28          1HD1      LEU  28   8.227  -3.516   4.188
  250   2HD1  LEU  28          2HD1      LEU  28   7.416  -2.413   5.299
  251   3HD1  LEU  28          3HD1      LEU  28   9.161  -2.646   5.406
  252   1HD2  LEU  28          1HD2      LEU  28  10.633  -1.363   4.187
  253   2HD2  LEU  28          2HD2      LEU  28  10.174  -0.533   2.701
  254   3HD2  LEU  28          3HD2      LEU  28  10.227  -2.294   2.745
  255    H    LEU  29           H        LEU  29   6.343   1.636   2.809
  256    HA   LEU  29           HA       LEU  29   5.409   2.015  -0.004
  257   1HB   LEU  29          2HB       LEU  29   4.416   3.093   2.159
  258   2HB   LEU  29          1HB       LEU  29   5.834   4.139   2.105
  259    HG   LEU  29           HG       LEU  29   4.202   3.786  -0.388
  260   1HD1  LEU  29          1HD1      LEU  29   2.856   4.434   1.854
  261   2HD1  LEU  29          2HD1      LEU  29   2.479   5.146   0.285
  262   3HD1  LEU  29          3HD1      LEU  29   3.484   6.028   1.435
  263   1HD2  LEU  29          1HD2      LEU  29   5.439   5.549  -1.090
  264   2HD2  LEU  29          2HD2      LEU  29   6.449   5.264   0.328
  265   3HD2  LEU  29          3HD2      LEU  29   5.142   6.446   0.400
  266    H    LYS  30           H        LYS  30   6.906   2.665  -1.547
  267    HA   LYS  30           HA       LYS  30   9.633   3.444  -0.589
  268   1HB   LYS  30          2HB       LYS  30   8.475   2.069  -2.991
  269   2HB   LYS  30          1HB       LYS  30  10.039   2.869  -3.138
  270   1HG   LYS  30          2HG       LYS  30   9.814   1.254  -0.702
  271   2HG   LYS  30          1HG       LYS  30   9.637   0.302  -2.176
  272   1HD   LYS  30          2HD       LYS  30  11.749   1.913  -2.839
  273   2HD   LYS  30          1HD       LYS  30  12.014   1.697  -1.109
  274   1HE   LYS  30          2HE       LYS  30  11.690  -0.814  -1.502
  275   2HE   LYS  30          1HE       LYS  30  11.809  -0.455  -3.235
  276   1HZ   LYS  30          1HZ       LYS  30  13.823   0.096  -1.125
  277   2HZ   LYS  30          2HZ       LYS  30  13.891   0.821  -2.661
  278   3HZ   LYS  30          3HZ       LYS  30  14.006  -0.868  -2.508
  279    H    SER  31           H        SER  31  10.804   5.016  -2.047
  280    HA   SER  31           HA       SER  31   9.297   7.482  -2.338
  281   1HB   SER  31          2HB       SER  31  11.876   6.799  -1.889
  282   2HB   SER  31          1HB       SER  31  11.962   7.116  -3.619
  283    HG   SER  31           HG       SER  31  12.194   8.920  -1.932
  284    H    ASP  32           H        ASP  32   9.563   4.793  -4.400
  285    HA   ASP  32           HA       ASP  32   9.554   6.264  -6.947
  286   1HB   ASP  32          2HB       ASP  32  10.646   4.106  -6.767
  287   2HB   ASP  32          1HB       ASP  32   9.189   3.371  -6.103
  288    H    GLY  33           H        GLY  33   7.235   5.707  -4.562
  289   1HA   GLY  33          2HA       GLY  33   4.934   6.282  -4.657
  290   2HA   GLY  33          1HA       GLY  33   5.047   6.354  -6.417
  291    H    SER  34           H        SER  34   6.061   3.681  -4.305
  292    HA   SER  34           HA       SER  34   3.836   2.028  -5.424
  293   1HB   SER  34          2HB       SER  34   5.769   0.240  -5.569
  294   2HB   SER  34          1HB       SER  34   5.577   1.432  -6.850
  295    HG   SER  34           HG       SER  34   7.453   2.213  -6.329
  296    H    PHE  35           H        PHE  35   3.223   0.264  -4.102
  297    HA   PHE  35           HA       PHE  35   4.291   0.323  -1.295
  298   1HB   PHE  35          2HB       PHE  35   1.760   0.902  -2.311
  299   2HB   PHE  35          1HB       PHE  35   1.599  -0.760  -1.745
  300    HD1  PHE  35           1HD      PHE  35   3.219  -0.991   0.592
  301    HD2  PHE  35           2HD      PHE  35   0.920   2.387  -0.736
  302    HE1  PHE  35           1HE      PHE  35   3.057  -0.182   2.928
  303    HE2  PHE  35           2HE      PHE  35   0.758   3.195   1.601
  304    HZ   PHE  35           HZ       PHE  35   1.825   1.911   3.432
  305    H    ILE  36           H        ILE  36   5.361  -1.571  -0.818
  306    HA   ILE  36           HA       ILE  36   4.689  -4.018  -2.408
  307    HB   ILE  36           HB       ILE  36   7.088  -2.963  -0.917
  308   1HG1  ILE  36          2HG1      ILE  36   8.163  -3.832  -3.079
  309   2HG1  ILE  36          1HG1      ILE  36   6.523  -4.097  -3.668
  310   1HG2  ILE  36          1HG2      ILE  36   8.127  -5.266  -1.341
  311   2HG2  ILE  36          2HG2      ILE  36   6.479  -5.861  -1.539
  312   3HG2  ILE  36          3HG2      ILE  36   6.986  -5.164   0.000
  313   1HD1  ILE  36          1HD1      ILE  36   6.062  -1.841  -3.813
  314   2HD1  ILE  36          2HD1      ILE  36   7.802  -1.791  -4.095
  315   3HD1  ILE  36          3HD1      ILE  36   7.158  -1.423  -2.496
  316    H    GLY  37           H        GLY  37   3.518  -5.572  -1.409
  317   1HA   GLY  37          2HA       GLY  37   3.242  -5.484   1.558
  318   2HA   GLY  37          1HA       GLY  37   2.059  -6.185   0.456
  319    H    TYR  38           H        TYR  38   3.898  -7.199   2.766
  320    HA   TYR  38           HA       TYR  38   4.939  -9.618   1.319
  321   1HB   TYR  38          2HB       TYR  38   6.119  -7.722   3.126
  322   2HB   TYR  38          1HB       TYR  38   6.072  -9.292   3.926
  323    HD1  TYR  38           1HD      TYR  38   6.739 -11.344   2.323
  324    HD2  TYR  38           2HD      TYR  38   7.951  -7.258   1.767
  325    HE1  TYR  38           1HE      TYR  38   8.668 -12.101   0.960
  326    HE2  TYR  38           2HE      TYR  38   9.880  -8.018   0.406
  327    HH   TYR  38           HH       TYR  38  11.275 -10.253   0.279
  328    H    LYS  39           H        LYS  39   4.349 -11.641   2.176
  329    HA   LYS  39           HA       LYS  39   1.938 -11.817   3.750
  330   1HB   LYS  39          2HB       LYS  39   2.338 -14.230   3.556
  331   2HB   LYS  39          1HB       LYS  39   2.690 -13.444   2.020
  332   1HG   LYS  39          2HG       LYS  39   5.102 -13.451   2.565
  333   2HG   LYS  39          1HG       LYS  39   4.751 -14.233   4.107
  334   1HD   LYS  39          2HD       LYS  39   4.048 -16.235   3.070
  335   2HD   LYS  39          1HD       LYS  39   3.843 -15.453   1.501
  336   1HE   LYS  39          2HE       LYS  39   6.196 -15.316   1.139
  337   2HE   LYS  39          1HE       LYS  39   6.555 -15.662   2.841
  338   1HZ   LYS  39          1HZ       LYS  39   6.773 -17.632   1.365
  339   2HZ   LYS  39          2HZ       LYS  39   5.110 -17.531   1.033
  340   3HZ   LYS  39          3HZ       LYS  39   5.647 -17.846   2.615
  341    H    GLU  40           H        GLU  40   5.379 -12.071   4.582
  342    HA   GLU  40           HA       GLU  40   4.768 -11.725   7.434
  343   1HB   GLU  40          2HB       GLU  40   4.410 -14.176   6.860
  344   2HB   GLU  40          1HB       GLU  40   6.121 -14.261   6.454
  345   1HG   GLU  40          2HG       GLU  40   5.523 -15.007   8.812
  346   2HG   GLU  40          1HG       GLU  40   6.775 -13.773   8.708
  347    H    ARG  41           H        ARG  41   6.888 -11.628   8.700
  348    HA   ARG  41           HA       ARG  41   8.782  -9.854   7.676
  349   1HB   ARG  41          2HB       ARG  41   8.777 -11.981   9.801
  350   2HB   ARG  41          1HB       ARG  41  10.272 -11.104   9.475
  351   1HG   ARG  41          2HG       ARG  41   9.517  -9.354  10.666
  352   2HG   ARG  41          1HG       ARG  41   8.143  -9.199   9.573
  353   1HD   ARG  41          2HD       ARG  41   6.716 -10.113  11.088
  354   2HD   ARG  41          1HD       ARG  41   7.840 -11.431  11.465
  355    HE   ARG  41           HE       ARG  41   7.707  -8.830  12.835
  356   1HH1  ARG  41          1HH2      ARG  41   9.577 -11.675  12.112
  357   2HH1  ARG  41          2HH2      ARG  41  10.589 -11.508  13.502
  358   1HH2  ARG  41          1HH1      ARG  41   9.038  -8.620  14.642
  359   2HH2  ARG  41          2HH1      ARG  41  10.288  -9.783  14.931
  360    HA   PRO  42           HA       PRO  42  10.779 -12.818   4.893
  361   1HB   PRO  42          2HB       PRO  42  11.563 -10.983   3.040
  362   2HB   PRO  42          1HB       PRO  42   9.921 -11.650   3.102
  363   1HG   PRO  42          2HG       PRO  42  10.887  -8.981   3.860
  364   2HG   PRO  42          1HG       PRO  42   9.270  -9.504   3.383
  365   1HD   PRO  42          2HD       PRO  42  10.215  -8.996   6.012
  366   2HD   PRO  42          1HD       PRO  42   8.629  -9.640   5.536
  367    H    GLU  43           H        GLU  43  13.008 -13.261   4.525
  368    HA   GLU  43           HA       GLU  43  15.127 -11.339   4.951
  369   1HB   GLU  43          2HB       GLU  43  14.286 -11.603   7.269
  370   2HB   GLU  43          1HB       GLU  43  14.524 -13.346   7.155
  371   1HG   GLU  43          2HG       GLU  43  16.995 -12.396   6.408
  372   2HG   GLU  43          1HG       GLU  43  16.500 -11.206   7.611
  373    H    ALA  44           H        ALA  44  14.416 -14.813   5.475
  374    HA   ALA  44           HA       ALA  44  15.347 -16.750   4.514
  375   1HB   ALA  44          1HB       ALA  44  16.824 -15.089   2.513
  376   2HB   ALA  44          2HB       ALA  44  15.062 -15.023   2.498
  377   3HB   ALA  44          3HB       ALA  44  15.889 -16.564   2.272
  378    HA   PRO  45           HA       PRO  45  19.315 -16.896   6.427
  379   1HB   PRO  45          2HB       PRO  45  20.149 -19.351   5.545
  380   2HB   PRO  45          1HB       PRO  45  18.913 -19.142   6.801
  381   1HG   PRO  45          2HG       PRO  45  18.590 -19.776   3.913
  382   2HG   PRO  45          1HG       PRO  45  17.684 -20.377   5.310
  383   1HD   PRO  45          2HD       PRO  45  16.761 -18.435   3.623
  384   2HD   PRO  45          1HD       PRO  45  16.262 -18.589   5.321
  385    H    ASP  46           H        ASP  46  19.096 -17.677   2.954
  386    HA   ASP  46           HA       ASP  46  21.427 -15.991   2.359
  387   1HB   ASP  46          2HB       ASP  46  22.549 -18.080   1.253
  388   2HB   ASP  46          1HB       ASP  46  22.686 -17.884   2.998
  389    H    GLN  47           H        GLN  47  18.772 -15.777   1.468
  390    HA   GLN  47           HA       GLN  47  19.116 -15.959  -1.429
  391   1HB   GLN  47          2HB       GLN  47  18.474 -18.250  -0.955
  392   2HB   GLN  47          1HB       GLN  47  17.162 -17.715   0.096
  393   1HG   GLN  47          2HG       GLN  47  16.120 -16.585  -1.903
  394   2HG   GLN  47          1HG       GLN  47  17.356 -17.342  -2.907
  395   1HE2  GLN  47          1HE2      GLN  47  14.238 -17.809  -1.637
  396   2HE2  GLN  47          2HE2      GLN  47  14.131 -19.487  -1.865
  397    H    THR  48           H        THR  48  18.584 -13.767  -1.551
  398    HA   THR  48           HA       THR  48  16.620 -12.349  -0.092
  399    HB   THR  48           HB       THR  48  18.284 -11.235  -1.439
  400    HG1  THR  48           1HG      THR  48  16.413 -10.060  -1.365
  401   1HG2  THR  48          1HG2      THR  48  18.925 -12.370  -3.287
  402   2HG2  THR  48          2HG2      THR  48  17.603 -11.524  -4.093
  403   3HG2  THR  48          3HG2      THR  48  17.354 -13.151  -3.459
  404    H    LEU  49           H        LEU  49  14.413 -11.850  -0.550
  405    HA   LEU  49           HA       LEU  49  13.064 -13.729  -2.463
  406   1HB   LEU  49          2HB       LEU  49  12.444 -12.727   0.308
  407   2HB   LEU  49          1HB       LEU  49  11.136 -13.292  -0.731
  408    HG   LEU  49           HG       LEU  49  13.545 -15.034  -0.560
  409   1HD1  LEU  49          1HD1      LEU  49  13.124 -14.271   1.802
  410   2HD1  LEU  49          2HD1      LEU  49  12.893 -16.002   1.561
  411   3HD1  LEU  49          3HD1      LEU  49  11.494 -14.932   1.670
  412   1HD2  LEU  49          1HD2      LEU  49  11.325 -16.579  -0.202
  413   2HD2  LEU  49          2HD2      LEU  49  11.961 -16.134  -1.785
  414   3HD2  LEU  49          3HD2      LEU  49  10.633 -15.214  -1.078
  415    HA   PRO  50           HA       PRO  50  11.423 -10.097  -4.381
  416   1HB   PRO  50          2HB       PRO  50   9.376 -11.263  -5.773
  417   2HB   PRO  50          1HB       PRO  50  11.079 -11.427  -6.245
  418   1HG   PRO  50          2HG       PRO  50   9.308 -13.359  -4.861
  419   2HG   PRO  50          1HG       PRO  50  10.613 -13.649  -6.019
  420   1HD   PRO  50          2HD       PRO  50  10.819 -13.983  -3.284
  421   2HD   PRO  50          1HD       PRO  50  12.192 -13.753  -4.391
  422    HA   PRO  51           HA       PRO  51   8.017  -8.754  -1.928
  423   1HB   PRO  51          2HB       PRO  51   6.574  -7.210  -3.679
  424   2HB   PRO  51          1HB       PRO  51   8.116  -6.695  -2.968
  425   1HG   PRO  51          2HG       PRO  51   7.572  -7.862  -5.658
  426   2HG   PRO  51          1HG       PRO  51   8.648  -6.529  -5.206
  427   1HD   PRO  51          2HD       PRO  51   9.567  -9.017  -5.712
  428   2HD   PRO  51          1HD       PRO  51  10.333  -7.944  -4.517
  429    H    LEU  52           H        LEU  52   5.918  -9.443  -1.383
  430    HA   LEU  52           HA       LEU  52   4.773 -11.620  -2.991
  431   1HB   LEU  52          2HB       LEU  52   4.936 -10.942  -0.310
  432   2HB   LEU  52          1HB       LEU  52   3.257 -10.569  -0.690
  433    HG   LEU  52           HG       LEU  52   3.440 -12.889   0.065
  434   1HD1  LEU  52          1HD1      LEU  52   3.058 -12.937  -2.934
  435   2HD1  LEU  52          2HD1      LEU  52   1.877 -12.216  -1.840
  436   3HD1  LEU  52          3HD1      LEU  52   2.256 -13.935  -1.722
  437   1HD2  LEU  52          1HD2      LEU  52   4.750 -14.518  -1.309
  438   2HD2  LEU  52          2HD2      LEU  52   5.772 -13.321  -0.516
  439   3HD2  LEU  52          3HD2      LEU  52   5.404 -13.167  -2.234
  440    H    ASN  53           H        ASN  53   3.717  -8.375  -1.913
  441    HA   ASN  53           HA       ASN  53   1.638  -8.414  -4.086
  442   1HB   ASN  53          2HB       ASN  53   1.531  -7.949  -1.200
  443   2HB   ASN  53          1HB       ASN  53   0.852  -6.597  -2.103
  444   1HD2  ASN  53          1HD2      ASN  53   0.756 -10.215  -2.368
  445   2HD2  ASN  53          2HD2      ASN  53  -0.916 -10.285  -2.648
  446    H    ASN  54           H        ASN  54   1.686  -6.625  -5.459
  447    HA   ASN  54           HA       ASN  54   3.601  -4.421  -4.736
  448   1HB   ASN  54          2HB       ASN  54   3.168  -6.101  -7.153
  449   2HB   ASN  54          1HB       ASN  54   3.516  -4.398  -7.451
  450   1HD2  ASN  54          1HD2      ASN  54   5.677  -3.703  -7.182
  451   2HD2  ASN  54          2HD2      ASN  54   6.919  -4.690  -6.580
  452    H    PHE  55           H        PHE  55   2.714  -2.403  -4.690
  453    HA   PHE  55           HA       PHE  55   0.076  -1.949  -6.063
  454   1HB   PHE  55          2HB       PHE  55   0.984  -1.677  -3.275
  455   2HB   PHE  55          1HB       PHE  55   0.169  -0.238  -3.885
  456    HD1  PHE  55           1HD      PHE  55  -0.182  -3.848  -3.187
  457    HD2  PHE  55           2HD      PHE  55  -2.175  -0.276  -4.497
  458    HE1  PHE  55           1HE      PHE  55  -2.375  -4.977  -2.930
  459    HE2  PHE  55           2HE      PHE  55  -4.367  -1.405  -4.241
  460    HZ   PHE  55           HZ       PHE  55  -4.468  -3.757  -3.457
  461    H    SER  56           H        SER  56  -0.237   0.225  -6.869
  462    HA   SER  56           HA       SER  56   2.278   1.862  -7.071
  463   1HB   SER  56          2HB       SER  56   0.078   1.208  -9.046
  464   2HB   SER  56          1HB       SER  56   1.203   2.538  -9.310
  465    HG   SER  56           HG       SER  56   2.755   1.148  -9.701
  466    H    VAL  57           H        VAL  57   2.058   3.880  -6.173
  467    HA   VAL  57           HA       VAL  57  -0.720   4.979  -5.844
  468    HB   VAL  57           HB       VAL  57   0.622   4.142  -3.822
  469   1HG1  VAL  57          1HG1      VAL  57   2.652   5.642  -4.924
  470   2HG1  VAL  57          2HG1      VAL  57   2.600   5.092  -3.250
  471   3HG1  VAL  57          3HG1      VAL  57   2.045   6.714  -3.663
  472   1HG2  VAL  57          1HG2      VAL  57  -1.326   5.789  -3.801
  473   2HG2  VAL  57          2HG2      VAL  57  -0.122   7.074  -3.712
  474   3HG2  VAL  57          3HG2      VAL  57  -0.235   5.881  -2.419
  475    H    ALA  58           H        ALA  58   1.215   5.442  -8.119
  476    HA   ALA  58           HA       ALA  58   2.213   8.188  -7.780
  477   1HB   ALA  58          1HB       ALA  58   1.978   6.235 -10.092
  478   2HB   ALA  58          2HB       ALA  58   3.430   6.641  -9.178
  479   3HB   ALA  58          3HB       ALA  58   2.705   7.834 -10.257
  480    H    GLU  59           H        GLU  59  -0.214   6.674  -9.958
  481    HA   GLU  59           HA       GLU  59  -1.672   9.299 -10.021
  482   1HB   GLU  59          2HB       GLU  59  -2.365   8.585 -12.295
  483   2HB   GLU  59          1HB       GLU  59  -0.609   8.623 -12.149
  484   1HG   GLU  59          2HG       GLU  59  -1.533   6.026 -11.343
  485   2HG   GLU  59          1HG       GLU  59  -2.253   6.420 -12.901
  486    H    CYS  60           H        CYS  60  -2.183   7.440  -7.929
  487    HA   CYS  60           HA       CYS  60  -4.812   6.233  -8.732
  488   1HB   CYS  60          2HB       CYS  60  -2.562   5.067  -7.644
  489   2HB   CYS  60          1HB       CYS  60  -3.534   5.390  -6.209
  490    H    GLN  61           H        GLN  61  -6.573   6.473  -7.207
  491    HA   GLN  61           HA       GLN  61  -6.406   8.967  -5.593
  492   1HB   GLN  61          2HB       GLN  61  -8.218   8.395  -7.315
  493   2HB   GLN  61          1HB       GLN  61  -8.797   7.192  -6.162
  494   1HG   GLN  61          2HG       GLN  61  -9.051   8.973  -4.451
  495   2HG   GLN  61          1HG       GLN  61  -8.518  10.167  -5.634
  496   1HE2  GLN  61          1HE2      GLN  61 -10.878   7.419  -5.733
  497   2HE2  GLN  61          2HE2      GLN  61 -12.136   8.346  -6.393
  498    H    LEU  62           H        LEU  62  -6.774   8.969  -3.336
  499    HA   LEU  62           HA       LEU  62  -6.878   6.272  -2.014
  500   1HB   LEU  62          2HB       LEU  62  -5.009   8.449  -1.899
  501   2HB   LEU  62          1HB       LEU  62  -5.774   8.297  -0.319
  502    HG   LEU  62           HG       LEU  62  -3.795   6.876  -0.390
  503   1HD1  LEU  62          1HD1      LEU  62  -6.047   4.918  -0.726
  504   2HD1  LEU  62          2HD1      LEU  62  -6.113   6.089   0.590
  505   3HD1  LEU  62          3HD1      LEU  62  -4.769   4.953   0.490
  506   1HD2  LEU  62          1HD2      LEU  62  -5.105   5.428  -2.708
  507   2HD2  LEU  62          2HD2      LEU  62  -3.501   5.138  -2.036
  508   3HD2  LEU  62          3HD2      LEU  62  -3.833   6.634  -2.909
  509    H    MET  63           H        MET  63  -8.337   6.034  -0.303
  510    HA   MET  63           HA       MET  63  -9.863   8.423   0.636
  511   1HB   MET  63          2HB       MET  63 -11.074   7.500  -1.282
  512   2HB   MET  63          1HB       MET  63 -10.999   5.883  -0.584
  513   1HG   MET  63          2HG       MET  63 -12.279   6.788   1.407
  514   2HG   MET  63          1HG       MET  63 -12.512   8.277   0.492
  515   1HE   MET  63          1HE       MET  63 -14.185   5.562   1.731
  516   2HE   MET  63          2HE       MET  63 -13.244   4.445   0.747
  517   3HE   MET  63          3HE       MET  63 -14.975   4.610   0.465
  518    H    LYS  64           H        LYS  64 -10.756   8.121   2.750
  519    HA   LYS  64           HA       LYS  64  -9.719   5.722   4.221
  520   1HB   LYS  64          2HB       LYS  64 -10.594   8.514   5.048
  521   2HB   LYS  64          1HB       LYS  64 -10.172   7.256   6.208
  522   1HG   LYS  64          2HG       LYS  64  -8.097   8.231   5.993
  523   2HG   LYS  64          1HG       LYS  64  -7.998   7.095   4.648
  524   1HD   LYS  64          2HD       LYS  64  -7.571   8.904   3.353
  525   2HD   LYS  64          1HD       LYS  64  -9.286   9.274   3.519
  526   1HE   LYS  64          2HE       LYS  64  -8.483  11.261   4.360
  527   2HE   LYS  64          1HE       LYS  64  -8.340  10.319   5.856
  528   1HZ   LYS  64          1HZ       LYS  64  -6.168  10.803   5.703
  529   2HZ   LYS  64          2HZ       LYS  64  -6.270  11.246   4.069
  530   3HZ   LYS  64          3HZ       LYS  64  -6.111   9.612   4.499
  531    H    THR  65           H        THR  65 -11.198   4.403   5.365
  532    HA   THR  65           HA       THR  65 -14.039   5.220   5.561
  533    HB   THR  65           HB       THR  65 -13.964   4.357   3.328
  534    HG1  THR  65           1HG      THR  65 -15.630   3.187   3.753
  535   1HG2  THR  65          1HG2      THR  65 -13.068   1.881   3.113
  536   2HG2  THR  65          2HG2      THR  65 -12.140   2.317   4.547
  537   3HG2  THR  65          3HG2      THR  65 -11.947   3.241   3.058
  538    H    GLU  66           H        GLU  66 -15.329   3.492   6.718
  539    HA   GLU  66           HA       GLU  66 -13.610   1.980   8.666
  540   1HB   GLU  66          2HB       GLU  66 -16.363   3.229   9.000
  541   2HB   GLU  66          1HB       GLU  66 -15.426   2.441  10.270
  542   1HG   GLU  66          2HG       GLU  66 -13.569   4.169   9.595
  543   2HG   GLU  66          1HG       GLU  66 -14.920   5.066   8.900
  544    H    ARG  67           H        ARG  67 -14.939   1.186   5.992
  545    HA   ARG  67           HA       ARG  67 -16.426  -1.206   7.033
  546   1HB   ARG  67          2HB       ARG  67 -17.838   0.651   6.017
  547   2HB   ARG  67          1HB       ARG  67 -17.001   0.354   4.493
  548   1HG   ARG  67          2HG       ARG  67 -17.725  -2.076   4.700
  549   2HG   ARG  67          1HG       ARG  67 -18.761  -1.568   6.033
  550   1HD   ARG  67          2HD       ARG  67 -20.337  -0.907   4.552
  551   2HD   ARG  67          1HD       ARG  67 -19.185   0.229   3.825
  552    HE   ARG  67           HE       ARG  67 -19.677  -2.556   2.926
  553   1HH1  ARG  67          1HH2      ARG  67 -17.817   0.384   2.684
  554   2HH1  ARG  67          2HH2      ARG  67 -17.175  -0.017   1.129
  555   1HH2  ARG  67          1HH1      ARG  67 -18.817  -3.061   0.904
  556   2HH2  ARG  67          2HH1      ARG  67 -17.738  -1.952   0.125
  557    HA   PRO  68           HA       PRO  68 -17.125  -3.058   6.291
  558   1HB   PRO  68          2HB       PRO  68 -16.078  -5.526   6.828
  559   2HB   PRO  68          1HB       PRO  68 -16.866  -5.121   5.290
  560   1HG   PRO  68          2HG       PRO  68 -13.971  -5.298   5.944
  561   2HG   PRO  68          1HG       PRO  68 -14.830  -5.786   4.475
  562   1HD   PRO  68          2HD       PRO  68 -13.382  -3.482   4.690
  563   2HD   PRO  68          1HD       PRO  68 -14.751  -3.688   3.578
  564    H    ARG  69           H        ARG  69 -13.739  -2.881   7.219
  565    HA   ARG  69           HA       ARG  69 -14.535  -3.013  10.111
  566   1HB   ARG  69          2HB       ARG  69 -12.462  -4.258   8.512
  567   2HB   ARG  69          1HB       ARG  69 -11.743  -3.319   9.818
  568   1HG   ARG  69          2HG       ARG  69 -13.403  -4.463  11.379
  569   2HG   ARG  69          1HG       ARG  69 -13.774  -5.550  10.041
  570   1HD   ARG  69          2HD       ARG  69 -12.035  -6.804  10.822
  571   2HD   ARG  69          1HD       ARG  69 -11.000  -5.567  10.090
  572    HE   ARG  69           HE       ARG  69 -12.011  -5.304  12.900
  573   1HH1  ARG  69          1HH2      ARG  69  -9.425  -5.171  10.545
  574   2HH1  ARG  69          2HH2      ARG  69  -8.277  -4.570  11.685
  575   1HH2  ARG  69          1HH1      ARG  69 -10.486  -4.538  14.357
  576   2HH2  ARG  69          2HH1      ARG  69  -8.867  -4.221  13.830
  577    HA   PRO  70           HA       PRO  70 -13.186   1.127  10.664
  578   1HB   PRO  70          2HB       PRO  70 -11.797   1.021  13.024
  579   2HB   PRO  70          1HB       PRO  70 -13.567   0.903  12.928
  580   1HG   PRO  70          2HG       PRO  70 -11.540  -1.269  13.202
  581   2HG   PRO  70          1HG       PRO  70 -13.104  -1.077  14.014
  582   1HD   PRO  70          2HD       PRO  70 -12.756  -2.750  11.923
  583   2HD   PRO  70          1HD       PRO  70 -14.289  -1.898  12.219
  584    H    ASN  71           H        ASN  71 -11.308   2.551  10.617
  585    HA   ASN  71           HA       ASN  71  -9.158   3.181   9.885
  586   1HB   ASN  71          2HB       ASN  71  -8.348   0.496  11.041
  587   2HB   ASN  71          1HB       ASN  71  -7.356   1.945  10.903
  588   1HD2  ASN  71          1HD2      ASN  71  -8.828   3.966  11.989
  589   2HD2  ASN  71          2HD2      ASN  71  -9.307   3.604  13.577
  590    H    THR  72           H        THR  72 -10.556   2.334   7.773
  591    HA   THR  72           HA       THR  72  -8.833   0.316   6.370
  592    HB   THR  72           HB       THR  72 -11.746   1.113   6.095
  593    HG1  THR  72           1HG      THR  72 -11.959  -0.511   7.381
  594   1HG2  THR  72          1HG2      THR  72  -9.956  -0.513   4.310
  595   2HG2  THR  72          2HG2      THR  72 -11.185   0.671   3.868
  596   3HG2  THR  72          3HG2      THR  72 -11.665  -0.924   4.448
  597    H    PHE  73           H        PHE  73  -8.150   0.793   4.253
  598    HA   PHE  73           HA       PHE  73  -8.453   3.652   3.379
  599   1HB   PHE  73          2HB       PHE  73  -6.186   1.948   3.956
  600   2HB   PHE  73          1HB       PHE  73  -6.141   2.428   2.261
  601    HD1  PHE  73           1HD      PHE  73  -4.755   3.294   5.200
  602    HD2  PHE  73           2HD      PHE  73  -7.194   5.096   2.157
  603    HE1  PHE  73           1HE      PHE  73  -3.916   5.532   5.849
  604    HE2  PHE  73           2HE      PHE  73  -6.356   7.334   2.812
  605    HZ   PHE  73           HZ       PHE  73  -4.715   7.552   4.657
  606    H    VAL  74           H        VAL  74  -9.379   3.877   1.377
  607    HA   VAL  74           HA       VAL  74  -9.609   1.457  -0.382
  608    HB   VAL  74           HB       VAL  74 -11.285   3.961  -0.008
  609   1HG1  VAL  74          1HG1      VAL  74 -11.070   2.142  -2.300
  610   2HG1  VAL  74          2HG1      VAL  74 -11.858   3.715  -2.184
  611   3HG1  VAL  74          3HG1      VAL  74 -12.712   2.262  -1.666
  612   1HG2  VAL  74          1HG2      VAL  74 -12.678   2.654   1.220
  613   2HG2  VAL  74          2HG2      VAL  74 -11.300   1.562   1.355
  614   3HG2  VAL  74          3HG2      VAL  74 -12.521   1.293   0.110
  615    H    ILE  75           H        ILE  75  -8.283   1.547  -2.156
  616    HA   ILE  75           HA       ILE  75  -7.531   4.256  -3.212
  617    HB   ILE  75           HB       ILE  75  -5.656   3.028  -2.226
  618   1HG1  ILE  75          2HG1      ILE  75  -5.331   2.696  -5.208
  619   2HG1  ILE  75          1HG1      ILE  75  -5.471   4.300  -4.489
  620   1HG2  ILE  75          1HG2      ILE  75  -6.519   0.748  -2.397
  621   2HG2  ILE  75          2HG2      ILE  75  -4.950   0.844  -3.195
  622   3HG2  ILE  75          3HG2      ILE  75  -6.427   0.820  -4.156
  623   1HD1  ILE  75          1HD1      ILE  75  -3.271   4.212  -4.013
  624   2HD1  ILE  75          2HD1      ILE  75  -3.181   2.534  -4.549
  625   3HD1  ILE  75          3HD1      ILE  75  -3.617   2.905  -2.881
  626    H    ARG  76           H        ARG  76  -8.142   4.679  -5.312
  627    HA   ARG  76           HA       ARG  76  -9.054   2.350  -6.981
  628   1HB   ARG  76          2HB       ARG  76 -10.186   5.158  -6.731
  629   2HB   ARG  76          1HB       ARG  76 -10.797   3.919  -7.827
  630   1HG   ARG  76          2HG       ARG  76 -10.692   2.627  -5.355
  631   2HG   ARG  76          1HG       ARG  76 -11.267   4.246  -4.961
  632   1HD   ARG  76          2HD       ARG  76 -12.477   2.698  -7.260
  633   2HD   ARG  76          1HD       ARG  76 -13.058   2.480  -5.597
  634    HE   ARG  76           HE       ARG  76 -12.848   5.280  -6.115
  635   1HH1  ARG  76          1HH2      ARG  76 -14.718   2.492  -7.029
  636   2HH1  ARG  76          2HH2      ARG  76 -16.133   3.414  -7.401
  637   1HH2  ARG  76          1HH1      ARG  76 -14.698   6.474  -6.605
  638   2HH2  ARG  76          2HH1      ARG  76 -16.123   5.664  -7.163
  639    H    CYS  77           H        CYS  77  -8.198   2.254  -9.025
  640    HA   CYS  77           HA       CYS  77  -6.629   4.616 -10.025
  641   1HB   CYS  77          2HB       CYS  77  -5.981   1.809  -9.541
  642   2HB   CYS  77          1HB       CYS  77  -5.633   2.278 -11.204
  643    H    LEU  78           H        LEU  78  -6.707   4.943 -12.346
  644    HA   LEU  78           HA       LEU  78  -9.196   3.913 -13.600
  645   1HB   LEU  78          2HB       LEU  78  -8.820   5.743 -15.171
  646   2HB   LEU  78          1HB       LEU  78  -8.594   6.343 -13.530
  647    HG   LEU  78           HG       LEU  78  -6.066   5.371 -14.353
  648   1HD1  LEU  78          1HD1      LEU  78  -7.363   7.134 -16.456
  649   2HD1  LEU  78          2HD1      LEU  78  -6.901   5.447 -16.679
  650   3HD1  LEU  78          3HD1      LEU  78  -5.661   6.672 -16.409
  651   1HD2  LEU  78          1HD2      LEU  78  -5.374   7.550 -13.835
  652   2HD2  LEU  78          2HD2      LEU  78  -6.880   7.416 -12.927
  653   3HD2  LEU  78          3HD2      LEU  78  -6.853   8.276 -14.467
  654    H    GLN  79           H        GLN  79  -6.341   2.481 -13.353
  655    HA   GLN  79           HA       GLN  79  -5.919   1.915 -16.252
  656   1HB   GLN  79          2HB       GLN  79  -4.290   2.226 -13.920
  657   2HB   GLN  79          1HB       GLN  79  -4.083   0.575 -14.504
  658   1HG   GLN  79          2HG       GLN  79  -3.992   2.903 -16.418
  659   2HG   GLN  79          1HG       GLN  79  -2.559   2.433 -15.503
  660   1HE2  GLN  79          1HE2      GLN  79  -3.980   1.941 -18.458
  661   2HE2  GLN  79          2HE2      GLN  79  -3.391   0.385 -18.802
  662    H    TRP  80           H        TRP  80  -8.251   0.817 -14.698
  663    HA   TRP  80           HA       TRP  80  -9.403  -1.218 -14.475
  664   1HB   TRP  80          2HB       TRP  80  -7.214  -2.165 -16.360
  665   2HB   TRP  80          1HB       TRP  80  -8.798  -2.906 -16.144
  666    HD1  TRP  80           HD       TRP  80  -7.210  -0.993 -18.607
  667    HE1  TRP  80           1HE      TRP  80  -8.797   0.608 -19.858
  668    HE3  TRP  80           3HE      TRP  80 -11.156  -0.939 -15.362
  669    HZ2  TRP  80           2HZ      TRP  80 -11.393   1.760 -19.528
  670    HZ3  TRP  80           3HZ      TRP  80 -13.168   0.418 -15.855
  671    HH2  TRP  80           HH       TRP  80 -13.293   1.766 -17.931
  672    H    THR  81           H        THR  81  -6.348  -2.948 -14.958
  673    HA   THR  81           HA       THR  81  -5.038  -4.252 -13.498
  674    HB   THR  81           HB       THR  81  -6.244  -2.660 -11.231
  675    HG1  THR  81           1HG      THR  81  -5.687  -0.956 -12.325
  676   1HG2  THR  81          1HG2      THR  81  -3.624  -3.998 -11.849
  677   2HG2  THR  81          2HG2      THR  81  -4.648  -4.169 -10.423
  678   3HG2  THR  81          3HG2      THR  81  -3.699  -2.701 -10.658
  679    H    THR  82           H        THR  82  -5.248  -5.930 -11.775
  680    HA   THR  82           HA       THR  82  -7.903  -7.209 -11.847
  681    HB   THR  82           HB       THR  82  -6.623  -9.022 -10.650
  682    HG1  THR  82           1HG      THR  82  -4.541  -8.690 -10.121
  683   1HG2  THR  82          1HG2      THR  82  -6.668  -8.931 -13.114
  684   2HG2  THR  82          2HG2      THR  82  -5.116  -9.534 -12.532
  685   3HG2  THR  82          3HG2      THR  82  -5.259  -7.871 -13.101
  686    H    VAL  83           H        VAL  83  -8.260  -8.363  -9.425
  687    HA   VAL  83           HA       VAL  83  -9.103  -7.948  -7.262
  688    HB   VAL  83           HB       VAL  83  -6.771  -5.994  -7.308
  689   1HG1  VAL  83          1HG1      VAL  83  -8.080  -5.519  -5.373
  690   2HG1  VAL  83          2HG1      VAL  83  -6.780  -6.570  -4.810
  691   3HG1  VAL  83          3HG1      VAL  83  -8.394  -7.230  -5.075
  692   1HG2  VAL  83          1HG2      VAL  83  -5.928  -8.158  -7.879
  693   2HG2  VAL  83          2HG2      VAL  83  -6.979  -8.956  -6.707
  694   3HG2  VAL  83          3HG2      VAL  83  -5.624  -7.974  -6.151
  695    H    ILE  84           H        ILE  84 -11.066  -6.976  -8.216
  696    HA   ILE  84           HA       ILE  84 -11.360  -4.196  -8.825
  697    HB   ILE  84           HB       ILE  84 -12.887  -6.114  -9.422
  698   1HG1  ILE  84          2HG1      ILE  84 -15.039  -4.733  -8.646
  699   2HG1  ILE  84          1HG1      ILE  84 -13.816  -3.535  -8.223
  700   1HG2  ILE  84          1HG2      ILE  84 -12.805  -6.835  -6.850
  701   2HG2  ILE  84          2HG2      ILE  84 -14.203  -7.196  -7.861
  702   3HG2  ILE  84          3HG2      ILE  84 -14.237  -5.809  -6.772
  703   1HD1  ILE  84          1HD1      ILE  84 -13.880  -4.880 -10.931
  704   2HD1  ILE  84          2HD1      ILE  84 -13.011  -3.418 -10.463
  705   3HD1  ILE  84          3HD1      ILE  84 -14.770  -3.393 -10.598
  706    H    GLU  85           H        GLU  85 -11.980  -2.439  -7.534
  707    HA   GLU  85           HA       GLU  85 -12.135  -1.135  -5.578
  708   1HB   GLU  85          2HB       GLU  85 -14.196  -2.560  -5.485
  709   2HB   GLU  85          1HB       GLU  85 -13.302  -3.730  -4.515
  710   1HG   GLU  85          2HG       GLU  85 -14.510  -2.358  -2.965
  711   2HG   GLU  85          1HG       GLU  85 -12.827  -1.834  -2.882
  712    H    ARG  86           H        ARG  86  -9.697  -1.266  -5.487
  713    HA   ARG  86           HA       ARG  86  -8.359  -3.215  -3.820
  714   1HB   ARG  86          2HB       ARG  86  -7.764  -0.648  -5.205
  715   2HB   ARG  86          1HB       ARG  86  -6.692  -1.078  -3.873
  716   1HG   ARG  86          2HG       ARG  86  -5.593  -2.304  -5.442
  717   2HG   ARG  86          1HG       ARG  86  -6.887  -3.473  -5.186
  718   1HD   ARG  86          2HD       ARG  86  -7.042  -3.222  -7.497
  719   2HD   ARG  86          1HD       ARG  86  -8.127  -1.915  -6.994
  720    HE   ARG  86           HE       ARG  86  -6.433  -0.324  -7.530
  721   1HH1  ARG  86          1HH2      ARG  86  -5.244  -3.594  -7.707
  722   2HH1  ARG  86          2HH2      ARG  86  -3.793  -3.147  -8.530
  723   1HH2  ARG  86          1HH1      ARG  86  -4.530   0.242  -8.607
  724   2HH2  ARG  86          2HH1      ARG  86  -3.385  -0.984  -9.038
  725    H    THR  87           H        THR  87  -9.125  -3.342  -1.703
  726    HA   THR  87           HA       THR  87  -9.092  -0.804  -0.095
  727    HB   THR  87           HB       THR  87 -10.849  -2.124   1.284
  728    HG1  THR  87           1HG      THR  87 -11.759  -3.831   0.313
  729   1HG2  THR  87          1HG2      THR  87 -11.934  -0.434   0.227
  730   2HG2  THR  87          2HG2      THR  87 -12.519  -1.712  -0.835
  731   3HG2  THR  87          3HG2      THR  87 -11.125  -0.740  -1.308
  732    H    PHE  88           H        PHE  88  -7.863  -0.874   1.769
  733    HA   PHE  88           HA       PHE  88  -6.970  -3.530   2.791
  734   1HB   PHE  88          2HB       PHE  88  -4.762  -3.134   2.319
  735   2HB   PHE  88          1HB       PHE  88  -5.424  -2.058   1.096
  736    HD1  PHE  88           1HD      PHE  88  -4.870   0.230   1.116
  737    HD2  PHE  88           2HD      PHE  88  -4.303  -2.116   4.671
  738    HE1  PHE  88           1HE      PHE  88  -3.718   2.142   2.199
  739    HE2  PHE  88           2HE      PHE  88  -3.160  -0.203   5.750
  740    HZ   PHE  88           HZ       PHE  88  -2.862   1.924   4.516
  741    H    HIS  89           H        HIS  89  -6.673  -3.557   5.037
  742    HA   HIS  89           HA       HIS  89  -7.588  -1.114   6.500
  743   1HB   HIS  89          2HB       HIS  89  -7.367  -4.052   7.244
  744   2HB   HIS  89          1HB       HIS  89  -7.986  -2.799   8.317
  745    HD1  HIS  89           1HD      HIS  89 -10.241  -4.319   8.178
  746    HD2  HIS  89           2HD      HIS  89  -9.209  -2.256   4.712
  747    HE1  HIS  89           1HE      HIS  89 -12.304  -4.300   6.711
  748    H    VAL  90           H        VAL  90  -6.368  -0.402   8.382
  749    HA   VAL  90           HA       VAL  90  -3.477  -1.158   8.253
  750    HB   VAL  90           HB       VAL  90  -3.171   0.983   9.496
  751   1HG1  VAL  90          1HG1      VAL  90  -3.016   1.205   7.151
  752   2HG1  VAL  90          2HG1      VAL  90  -4.157   2.463   7.628
  753   3HG1  VAL  90          3HG1      VAL  90  -4.747   0.956   6.926
  754   1HG2  VAL  90          1HG2      VAL  90  -4.972   2.383  10.089
  755   2HG2  VAL  90          2HG2      VAL  90  -5.547   0.779  10.541
  756   3HG2  VAL  90          3HG2      VAL  90  -6.103   1.526   9.044
  757    H    ASP  91           H        ASP  91  -2.318  -1.456  10.300
  758    HA   ASP  91           HA       ASP  91  -3.682  -3.213  12.142
  759   1HB   ASP  91          2HB       ASP  91  -1.489  -3.218  13.264
  760   2HB   ASP  91          1HB       ASP  91  -1.278  -3.322  11.518
  761    H    SER  92           H        SER  92  -3.182   0.264  12.122
  762    HA   SER  92           HA       SER  92  -4.697   0.473  14.669
  763   1HB   SER  92          2HB       SER  92  -1.877   0.607  14.498
  764   2HB   SER  92          1HB       SER  92  -2.423   2.267  14.704
  765    HG   SER  92           HG       SER  92  -2.318   0.283  16.497
  766    HA   PRO  93           HA       PRO  93  -6.351   4.086  12.759
  767   1HB   PRO  93          2HB       PRO  93  -6.627   5.804  14.880
  768   2HB   PRO  93          1HB       PRO  93  -7.685   4.402  14.627
  769   1HG   PRO  93          2HG       PRO  93  -5.343   4.698  16.446
  770   2HG   PRO  93          1HG       PRO  93  -6.900   3.905  16.733
  771   1HD   PRO  93          2HD       PRO  93  -4.644   2.527  16.146
  772   2HD   PRO  93          1HD       PRO  93  -6.263   1.969  15.668
  773    H    ASP  94           H        ASP  94  -3.555   4.570  14.900
  774    HA   ASP  94           HA       ASP  94  -2.795   7.178  13.929
  775   1HB   ASP  94          2HB       ASP  94  -1.499   4.891  15.404
  776   2HB   ASP  94          1HB       ASP  94  -0.515   6.256  14.878
  777    H    GLU  95           H        GLU  95  -2.118   3.865  12.843
  778    HA   GLU  95           HA       GLU  95  -0.004   4.472  11.000
  779   1HB   GLU  95          2HB       GLU  95  -1.471   2.246  11.914
  780   2HB   GLU  95          1HB       GLU  95  -1.731   2.288  10.171
  781   1HG   GLU  95          2HG       GLU  95   0.259   1.111  10.229
  782   2HG   GLU  95          1HG       GLU  95   0.891   2.752  10.143
  783    H    ARG  96           H        ARG  96  -3.560   4.291  10.550
  784    HA   ARG  96           HA       ARG  96  -3.699   4.679   7.755
  785   1HB   ARG  96          2HB       ARG  96  -5.555   4.167   9.361
  786   2HB   ARG  96          1HB       ARG  96  -5.495   5.842   9.908
  787   1HG   ARG  96          2HG       ARG  96  -5.706   6.277   7.259
  788   2HG   ARG  96          1HG       ARG  96  -6.530   4.720   7.351
  789   1HD   ARG  96          2HD       ARG  96  -8.249   6.349   7.700
  790   2HD   ARG  96          1HD       ARG  96  -7.858   5.752   9.325
  791    HE   ARG  96           HE       ARG  96  -6.194   8.011   8.502
  792   1HH1  ARG  96          1HH2      ARG  96  -9.203   7.021   9.956
  793   2HH1  ARG  96          2HH2      ARG  96  -9.400   8.497  10.833
  794   1HH2  ARG  96          1HH1      ARG  96  -6.463   9.928   9.647
  795   2HH2  ARG  96          2HH1      ARG  96  -7.854  10.142  10.657
  796    H    GLU  97           H        GLU  97  -3.415   7.135  10.350
  797    HA   GLU  97           HA       GLU  97  -3.524   9.433   8.596
  798   1HB   GLU  97          2HB       GLU  97  -3.679   9.035  11.252
  799   2HB   GLU  97          1HB       GLU  97  -1.970   9.465  11.152
  800   1HG   GLU  97          2HG       GLU  97  -2.559  11.541   9.950
  801   2HG   GLU  97          1HG       GLU  97  -4.268  11.116  10.054
  802    H    GLU  98           H        GLU  98  -0.863   7.412   9.825
  803    HA   GLU  98           HA       GLU  98   1.293   9.042   8.793
  804   1HB   GLU  98          2HB       GLU  98   1.547   7.391  10.598
  805   2HB   GLU  98          1HB       GLU  98   1.072   6.093   9.503
  806   1HG   GLU  98          2HG       GLU  98   3.414   5.952   9.473
  807   2HG   GLU  98          1HG       GLU  98   3.072   6.918   8.040
  808    H    TRP  99           H        TRP  99  -0.563   6.285   7.489
  809    HA   TRP  99           HA       TRP  99   0.990   5.815   5.131
  810   1HB   TRP  99          2HB       TRP  99  -1.955   5.475   5.778
  811   2HB   TRP  99          1HB       TRP  99  -1.203   4.831   4.321
  812    HD1  TRP  99           HD       TRP  99  -2.343   3.502   7.305
  813    HE1  TRP  99           1HE      TRP  99  -0.924   1.560   8.212
  814    HE3  TRP  99           3HE      TRP  99   1.952   4.226   4.634
  815    HZ2  TRP  99           2HZ      TRP  99   1.687   0.451   7.856
  816    HZ3  TRP  99           3HZ      TRP  99   3.889   2.710   4.941
  817    HH2  TRP  99           HH       TRP  99   3.761   0.825   6.548
  818    H    MET 100           H        MET 100  -1.928   7.862   5.613
  819    HA   MET 100           HA       MET 100  -2.146   8.852   2.955
  820   1HB   MET 100          2HB       MET 100  -3.850   9.113   4.707
  821   2HB   MET 100          1HB       MET 100  -2.763  10.148   5.633
  822   1HG   MET 100          2HG       MET 100  -2.781  11.364   3.148
  823   2HG   MET 100          1HG       MET 100  -4.444  10.806   3.317
  824   1HE   MET 100          1HE       MET 100  -3.607  13.875   3.114
  825   2HE   MET 100          2HE       MET 100  -2.056  13.447   3.831
  826   3HE   MET 100          3HE       MET 100  -3.081  14.646   4.616
  827    H    ARG 101           H        ARG 101  -0.408  10.234   5.769
  828    HA   ARG 101           HA       ARG 101   0.678  12.528   4.458
  829   1HB   ARG 101          2HB       ARG 101   0.570  12.012   6.927
  830   2HB   ARG 101          1HB       ARG 101   1.872  10.848   6.692
  831   1HG   ARG 101          2HG       ARG 101   2.871  12.917   7.443
  832   2HG   ARG 101          1HG       ARG 101   3.272  12.719   5.738
  833   1HD   ARG 101          2HD       ARG 101   2.532  15.045   6.204
  834   2HD   ARG 101          1HD       ARG 101   1.377  14.230   5.136
  835    HE   ARG 101           HE       ARG 101  -0.194  14.184   6.911
  836   1HH1  ARG 101          1HH2      ARG 101   2.981  15.053   8.049
  837   2HH1  ARG 101          2HH2      ARG 101   2.427  15.464   9.635
  838   1HH2  ARG 101          1HH1      ARG 101  -0.897  14.714   8.989
  839   2HH2  ARG 101          2HH1      ARG 101   0.243  15.273  10.167
  840    H    ALA 102           H        ALA 102   1.973   9.218   4.853
  841    HA   ALA 102           HA       ALA 102   4.502   9.681   3.558
  842   1HB   ALA 102          1HB       ALA 102   4.360   7.133   3.330
  843   2HB   ALA 102          2HB       ALA 102   2.756   7.258   4.055
  844   3HB   ALA 102          3HB       ALA 102   4.177   7.768   4.966
  845    H    ILE 103           H        ILE 103   1.336   8.554   2.340
  846    HA   ILE 103           HA       ILE 103   2.136   7.974  -0.350
  847    HB   ILE 103           HB       ILE 103  -0.462   8.813   0.970
  848   1HG1  ILE 103          2HG1      ILE 103   0.186   6.141  -0.259
  849   2HG1  ILE 103          1HG1      ILE 103   0.777   6.534   1.354
  850   1HG2  ILE 103          1HG2      ILE 103  -0.979   9.418  -1.209
  851   2HG2  ILE 103          2HG2      ILE 103  -1.370   7.700  -1.264
  852   3HG2  ILE 103          3HG2      ILE 103   0.167   8.276  -1.911
  853   1HD1  ILE 103          1HD1      ILE 103  -1.859   7.337   1.487
  854   2HD1  ILE 103          2HD1      ILE 103  -1.241   5.794   2.077
  855   3HD1  ILE 103          3HD1      ILE 103  -1.953   5.901   0.467
  856    H    GLN 104           H        GLN 104   0.918  10.970   1.170
  857    HA   GLN 104           HA       GLN 104   0.822  12.551  -1.236
  858   1HB   GLN 104          2HB       GLN 104   0.577  12.862   1.670
  859   2HB   GLN 104          1HB       GLN 104   1.298  14.275   0.900
  860   1HG   GLN 104          2HG       GLN 104  -1.149  13.017  -0.312
  861   2HG   GLN 104          1HG       GLN 104  -1.318  14.092   1.076
  862   1HE2  GLN 104          1HE2      GLN 104  -0.796  14.000  -2.356
  863   2HE2  GLN 104          2HE2      GLN 104  -0.547  15.665  -2.573
  864    H    MET 105           H        MET 105   3.370  12.086   1.241
  865    HA   MET 105           HA       MET 105   5.241  14.001   0.244
  866   1HB   MET 105          2HB       MET 105   5.477  11.384   1.752
  867   2HB   MET 105          1HB       MET 105   6.876  12.410   1.435
  868   1HG   MET 105          2HG       MET 105   4.480  13.753   2.582
  869   2HG   MET 105          1HG       MET 105   5.363  12.668   3.655
  870   1HE   MET 105          1HE       MET 105   7.758  12.826   4.293
  871   2HE   MET 105          2HE       MET 105   6.738  13.854   5.297
  872   3HE   MET 105          3HE       MET 105   8.315  14.436   4.771
  873    H    VAL 106           H        VAL 106   4.856  10.523  -0.509
  874    HA   VAL 106           HA       VAL 106   7.029  10.433  -2.424
  875    HB   VAL 106           HB       VAL 106   4.616   8.708  -1.797
  876   1HG1  VAL 106          1HG1      VAL 106   6.027   6.975  -3.158
  877   2HG1  VAL 106          2HG1      VAL 106   6.731   8.403  -3.917
  878   3HG1  VAL 106          3HG1      VAL 106   4.997   8.108  -4.032
  879   1HG2  VAL 106          1HG2      VAL 106   6.076   8.331  -0.061
  880   2HG2  VAL 106          2HG2      VAL 106   7.481   8.843  -0.996
  881   3HG2  VAL 106          3HG2      VAL 106   6.806   7.230  -1.229
  882    H    ALA 107           H        ALA 107   3.466  10.692  -2.760
  883    HA   ALA 107           HA       ALA 107   3.322  10.791  -5.600
  884   1HB   ALA 107          1HB       ALA 107   1.648  12.247  -3.523
  885   2HB   ALA 107          2HB       ALA 107   1.429  10.560  -3.992
  886   3HB   ALA 107          3HB       ALA 107   1.143  11.846  -5.165
  887    H    ASN 108           H        ASN 108   4.042  13.340  -3.220
  888    HA   ASN 108           HA       ASN 108   3.946  15.566  -5.067
  889   1HB   ASN 108          2HB       ASN 108   4.869  14.963  -2.304
  890   2HB   ASN 108          1HB       ASN 108   5.613  16.362  -3.076
  891   1HD2  ASN 108          1HD2      ASN 108   2.438  14.983  -2.149
  892   2HD2  ASN 108          2HD2      ASN 108   1.618  16.469  -2.155
  893    H    SER 109           H        SER 109   6.360  13.108  -4.402
  894    HA   SER 109           HA       SER 109   8.587  14.650  -5.551
  895   1HB   SER 109          2HB       SER 109   8.860  13.049  -3.685
  896   2HB   SER 109          1HB       SER 109   8.278  11.745  -4.716
  897    HG   SER 109           HG       SER 109  10.678  13.223  -4.856
  898    H    LEU 110           H        LEU 110   6.411  12.003  -6.570
  899    HA   LEU 110           HA       LEU 110   7.650  12.162  -9.298
  900   1HB   LEU 110          2HB       LEU 110   7.022   9.816  -9.527
  901   2HB   LEU 110          1HB       LEU 110   7.913  10.026  -8.022
  902    HG   LEU 110           HG       LEU 110   5.132  10.464  -7.475
  903   1HD1  LEU 110          1HD1      LEU 110   4.645   7.883  -8.002
  904   2HD1  LEU 110          2HD1      LEU 110   5.761   8.208  -9.328
  905   3HD1  LEU 110          3HD1      LEU 110   4.280   9.153  -9.170
  906   1HD2  LEU 110          1HD2      LEU 110   6.877   8.082  -6.784
  907   2HD2  LEU 110          2HD2      LEU 110   5.501   8.698  -5.869
  908   3HD2  LEU 110          3HD2      LEU 110   6.989   9.638  -5.962
  909    H    LYS 111           H        LYS 111   5.593  13.988  -8.454
  910    HA   LYS 111           HA       LYS 111   2.992  13.078  -9.429
  911   1HB   LYS 111          2HB       LYS 111   2.436  15.497  -9.107
  912   2HB   LYS 111          1HB       LYS 111   3.217  14.790  -7.696
  913   1HG   LYS 111          2HG       LYS 111   4.873  16.308  -7.821
  914   2HG   LYS 111          1HG       LYS 111   5.252  15.784  -9.461
  915   1HD   LYS 111          2HD       LYS 111   2.829  17.470  -9.199
  916   2HD   LYS 111          1HD       LYS 111   4.356  18.281  -8.854
  917   1HE   LYS 111          2HE       LYS 111   4.561  18.528 -11.108
  918   2HE   LYS 111          1HE       LYS 111   4.910  16.789 -11.154
  919   1HZ   LYS 111          1HZ       LYS 111   3.005  17.382 -12.567
  920   2HZ   LYS 111          2HZ       LYS 111   2.184  17.982 -11.207
  921   3HZ   LYS 111          3HZ       LYS 111   2.559  16.327 -11.316
  Start of MODEL   17
    1   1H    MET   1          1H        MET   1  20.222  -2.770 -10.568
    2   2H    MET   1          2H        MET   1  20.282  -3.407 -12.141
    3   3H    MET   1          3H        MET   1  18.852  -3.518 -11.231
    4    HA   MET   1           HA       MET   1  20.069  -0.932 -12.068
    5   1HB   MET   1          2HB       MET   1  18.430  -0.988 -13.888
    6   2HB   MET   1          1HB       MET   1  19.432  -2.435 -13.967
    7   1HG   MET   1          2HG       MET   1  17.094  -2.835 -12.263
    8   2HG   MET   1          1HG       MET   1  16.640  -2.366 -13.901
    9   1HE   MET   1          1HE       MET   1  17.300  -3.527 -16.022
   10   2HE   MET   1          2HE       MET   1  15.868  -4.220 -15.265
   11   3HE   MET   1          3HE       MET   1  17.067  -5.281 -16.002
   12    H    ASN   2           H        ASN   2  18.020   0.627 -12.246
   13    HA   ASN   2           HA       ASN   2  16.305   1.787 -11.119
   14   1HB   ASN   2          2HB       ASN   2  15.365  -0.633 -11.565
   15   2HB   ASN   2          1HB       ASN   2  15.530  -0.810  -9.818
   16   1HD2  ASN   2          1HD2      ASN   2  13.994   0.278  -8.478
   17   2HD2  ASN   2          2HD2      ASN   2  12.736   1.236  -9.097
   18    H    GLU   3           H        GLU   3  17.406   3.074  -9.631
   19    HA   GLU   3           HA       GLU   3  18.273   1.862  -7.046
   20   1HB   GLU   3          2HB       GLU   3  19.532   3.541  -8.733
   21   2HB   GLU   3          1HB       GLU   3  18.693   4.739  -7.747
   22   1HG   GLU   3          2HG       GLU   3  20.620   4.482  -6.491
   23   2HG   GLU   3          1HG       GLU   3  19.617   3.231  -5.756
   24    H    VAL   4           H        VAL   4  16.029   1.623  -6.260
   25    HA   VAL   4           HA       VAL   4  14.780   4.233  -5.444
   26    HB   VAL   4           HB       VAL   4  13.658   1.576  -6.344
   27   1HG1  VAL   4          1HG1      VAL   4  12.008   3.807  -5.150
   28   2HG1  VAL   4          2HG1      VAL   4  12.530   2.411  -4.211
   29   3HG1  VAL   4          3HG1      VAL   4  11.475   2.190  -5.605
   30   1HG2  VAL   4          1HG2      VAL   4  12.445   2.982  -7.934
   31   2HG2  VAL   4          2HG2      VAL   4  14.166   3.355  -8.018
   32   3HG2  VAL   4          3HG2      VAL   4  13.070   4.437  -7.160
   33    H    SER   5           H        SER   5  14.806   4.546  -3.267
   34    HA   SER   5           HA       SER   5  15.422   2.295  -1.438
   35   1HB   SER   5          2HB       SER   5  15.308   5.304  -1.305
   36   2HB   SER   5          1HB       SER   5  15.355   4.363   0.183
   37    HG   SER   5           HG       SER   5  17.447   4.972  -0.672
   38    H    VAL   6           H        VAL   6  14.086   2.787   0.837
   39    HA   VAL   6           HA       VAL   6  11.218   2.453   0.072
   40    HB   VAL   6           HB       VAL   6  12.760   1.808   2.609
   41   1HG1  VAL   6          1HG1      VAL   6   9.893   1.385   1.759
   42   2HG1  VAL   6          2HG1      VAL   6  10.499   2.093   3.256
   43   3HG1  VAL   6          3HG1      VAL   6  10.651   0.360   2.976
   44   1HG2  VAL   6          1HG2      VAL   6  11.717   0.018   0.387
   45   2HG2  VAL   6          2HG2      VAL   6  12.540  -0.529   1.848
   46   3HG2  VAL   6          3HG2      VAL   6  13.412   0.430   0.652
   47    H    ILE   7           H        ILE   7   9.641   3.852   0.865
   48    HA   ILE   7           HA       ILE   7  10.618   6.297   2.265
   49    HB   ILE   7           HB       ILE   7   8.395   5.558   0.407
   50   1HG1  ILE   7          2HG1      ILE   7   9.010   7.789  -0.536
   51   2HG1  ILE   7          1HG1      ILE   7  10.191   7.981   0.759
   52   1HG2  ILE   7          1HG2      ILE   7   7.354   7.855   1.053
   53   2HG2  ILE   7          2HG2      ILE   7   8.190   7.629   2.589
   54   3HG2  ILE   7          3HG2      ILE   7   6.980   6.458   2.063
   55   1HD1  ILE   7          1HD1      ILE   7  10.977   7.034  -1.552
   56   2HD1  ILE   7          2HD1      ILE   7  10.264   5.528  -0.977
   57   3HD1  ILE   7          3HD1      ILE   7  11.573   6.286  -0.071
   58    H    LYS   8           H        LYS   8   8.285   3.617   2.625
   59    HA   LYS   8           HA       LYS   8   8.159   4.153   5.520
   60   1HB   LYS   8          2HB       LYS   8   5.633   4.381   5.414
   61   2HB   LYS   8          1HB       LYS   8   6.530   5.743   4.747
   62   1HG   LYS   8          2HG       LYS   8   6.276   4.642   2.464
   63   2HG   LYS   8          1HG       LYS   8   5.144   3.522   3.223
   64   1HD   LYS   8          2HD       LYS   8   3.977   5.681   4.111
   65   2HD   LYS   8          1HD       LYS   8   4.875   6.493   2.827
   66   1HE   LYS   8          2HE       LYS   8   3.740   4.165   1.657
   67   2HE   LYS   8          1HE       LYS   8   2.456   4.944   2.600
   68   1HZ   LYS   8          1HZ       LYS   8   3.128   7.078   1.604
   69   2HZ   LYS   8          2HZ       LYS   8   2.574   5.973   0.440
   70   3HZ   LYS   8          3HZ       LYS   8   4.239   6.260   0.618
   71    H    GLU   9           H        GLU   9   7.679   2.303   6.658
   72    HA   GLU   9           HA       GLU   9   6.634  -0.074   5.146
   73   1HB   GLU   9          2HB       GLU   9   8.861   0.040   7.214
   74   2HB   GLU   9          1HB       GLU   9   8.288  -1.416   6.402
   75   1HG   GLU   9          2HG       GLU   9   9.792  -1.018   4.776
   76   2HG   GLU   9          1HG       GLU   9   8.857   0.411   4.337
   77    H    GLY  10           H        GLY  10   4.862  -0.953   6.176
   78   1HA   GLY  10          2HA       GLY  10   4.694  -0.960   9.108
   79   2HA   GLY  10          1HA       GLY  10   3.487   0.050   8.324
   80    H    TRP  11           H        TRP  11   3.030  -2.382   9.882
   81    HA   TRP  11           HA       TRP  11   2.345  -4.531   8.012
   82   1HB   TRP  11          2HB       TRP  11   1.880  -3.949  10.944
   83   2HB   TRP  11          1HB       TRP  11   1.210  -5.384  10.170
   84    HD1  TRP  11           HD       TRP  11   4.523  -3.773  11.161
   85    HE1  TRP  11           1HE      TRP  11   6.381  -5.559  11.065
   86    HE3  TRP  11           3HE      TRP  11   1.927  -7.640   9.064
   87    HZ2  TRP  11           2HZ      TRP  11   6.719  -8.266  10.214
   88    HZ3  TRP  11           3HZ      TRP  11   3.043  -9.808   8.623
   89    HH2  TRP  11           HH       TRP  11   5.437 -10.124   9.196
   90    H    LEU  12           H        LEU  12   0.526  -4.511   6.769
   91    HA   LEU  12           HA       LEU  12  -1.840  -2.923   7.723
   92   1HB   LEU  12          2HB       LEU  12  -0.882  -3.415   4.880
   93   2HB   LEU  12          1HB       LEU  12  -2.205  -2.359   5.367
   94    HG   LEU  12           HG       LEU  12   0.701  -1.993   6.169
   95   1HD1  LEU  12          1HD1      LEU  12  -0.393   0.167   4.631
   96   2HD1  LEU  12          2HD1      LEU  12  -0.654  -1.339   3.751
   97   3HD1  LEU  12          3HD1      LEU  12   0.974  -0.874   4.240
   98   1HD2  LEU  12          1HD2      LEU  12  -1.555  -1.110   7.482
   99   2HD2  LEU  12          2HD2      LEU  12  -1.199   0.243   6.411
  100   3HD2  LEU  12          3HD2      LEU  12   0.020  -0.324   7.551
  101    H    HIS  13           H        HIS  13  -3.935  -3.802   7.001
  102    HA   HIS  13           HA       HIS  13  -3.851  -6.781   6.726
  103   1HB   HIS  13          2HB       HIS  13  -5.858  -4.767   7.756
  104   2HB   HIS  13          1HB       HIS  13  -6.290  -6.456   7.485
  105    HD1  HIS  13           1HD      HIS  13  -5.789  -8.025   9.367
  106    HD2  HIS  13           2HD      HIS  13  -3.509  -4.546   9.616
  107    HE1  HIS  13           1HE      HIS  13  -4.515  -8.159  11.550
  108    H    LYS  14           H        LYS  14  -4.478  -7.677   4.813
  109    HA   LYS  14           HA       LYS  14  -6.081  -6.008   2.892
  110   1HB   LYS  14          2HB       LYS  14  -3.632  -6.376   2.381
  111   2HB   LYS  14          1HB       LYS  14  -3.971  -8.103   2.287
  112   1HG   LYS  14          2HG       LYS  14  -5.918  -6.770   0.686
  113   2HG   LYS  14          1HG       LYS  14  -4.339  -6.109   0.260
  114   1HD   LYS  14          2HD       LYS  14  -4.705  -9.085   0.537
  115   2HD   LYS  14          1HD       LYS  14  -5.167  -8.269  -0.958
  116   1HE   LYS  14          2HE       LYS  14  -2.861  -7.305  -1.111
  117   2HE   LYS  14          1HE       LYS  14  -2.410  -8.238   0.329
  118   1HZ   LYS  14          1HZ       LYS  14  -3.639  -9.460  -2.082
  119   2HZ   LYS  14          2HZ       LYS  14  -2.932 -10.263  -0.763
  120   3HZ   LYS  14          3HZ       LYS  14  -1.960  -9.380  -1.846
  121    H    ARG  15           H        ARG  15  -7.904  -7.017   2.040
  122    HA   ARG  15           HA       ARG  15  -8.736  -9.601   3.146
  123   1HB   ARG  15          2HB       ARG  15 -10.804  -9.113   1.893
  124   2HB   ARG  15          1HB       ARG  15 -10.279  -7.692   2.788
  125   1HG   ARG  15          2HG       ARG  15  -9.903  -6.494   0.898
  126   2HG   ARG  15          1HG       ARG  15  -9.162  -7.860   0.067
  127   1HD   ARG  15          2HD       ARG  15 -12.143  -7.812   0.555
  128   2HD   ARG  15          1HD       ARG  15 -11.443  -6.989  -0.850
  129    HE   ARG  15           HE       ARG  15 -11.467  -9.902  -0.386
  130   1HH1  ARG  15          1HH2      ARG  15 -10.143  -7.201  -2.138
  131   2HH1  ARG  15          2HH2      ARG  15  -9.564  -8.177  -3.441
  132   1HH2  ARG  15          1HH1      ARG  15 -10.708 -11.168  -2.089
  133   2HH2  ARG  15          2HH1      ARG  15  -9.882 -10.417  -3.416
  134    H    GLY  16           H        GLY  16  -9.044 -11.549   1.921
  135   1HA   GLY  16          2HA       GLY  16  -7.942 -11.539  -0.853
  136   2HA   GLY  16          1HA       GLY  16  -7.314 -12.690   0.325
  137    H    GLU  17           H        GLU  17  -8.557 -13.464  -2.090
  138    HA   GLU  17           HA       GLU  17 -10.144 -15.001  -2.898
  139   1HB   GLU  17          2HB       GLU  17 -10.201 -15.403   0.096
  140   2HB   GLU  17          1HB       GLU  17 -11.176 -16.395  -0.984
  141   1HG   GLU  17          2HG       GLU  17  -9.384 -17.684  -1.390
  142   2HG   GLU  17          1HG       GLU  17  -8.560 -16.291  -2.090
  143    H    TYR  18           H        TYR  18 -12.601 -15.713  -2.404
  144    HA   TYR  18           HA       TYR  18 -14.213 -13.308  -2.692
  145   1HB   TYR  18          2HB       TYR  18 -16.058 -15.000  -2.856
  146   2HB   TYR  18          1HB       TYR  18 -14.702 -15.371  -3.915
  147    HD1  TYR  18           1HD      TYR  18 -16.138 -16.158  -0.547
  148    HD2  TYR  18           2HD      TYR  18 -13.579 -17.446  -3.752
  149    HE1  TYR  18           1HE      TYR  18 -15.891 -18.372   0.538
  150    HE2  TYR  18           2HE      TYR  18 -13.334 -19.660  -2.663
  151    HH   TYR  18           HH       TYR  18 -13.593 -20.414   0.036
  152    H    ILE  19           H        ILE  19 -13.167 -15.162   0.033
  153    HA   ILE  19           HA       ILE  19 -15.439 -14.664   1.775
  154    HB   ILE  19           HB       ILE  19 -13.656 -16.485   1.921
  155   1HG1  ILE  19          2HG1      ILE  19 -13.890 -14.864   4.466
  156   2HG1  ILE  19          1HG1      ILE  19 -15.256 -15.752   3.790
  157   1HG2  ILE  19          1HG2      ILE  19 -11.858 -14.491   1.727
  158   2HG2  ILE  19          2HG2      ILE  19 -11.493 -16.015   2.535
  159   3HG2  ILE  19          3HG2      ILE  19 -11.956 -14.604   3.484
  160   1HD1  ILE  19          1HD1      ILE  19 -12.865 -16.765   5.183
  161   2HD1  ILE  19          2HD1      ILE  19 -13.269 -17.648   3.711
  162   3HD1  ILE  19          3HD1      ILE  19 -14.458 -17.499   5.005
  163    H    LYS  20           H        LYS  20 -15.387 -13.190   3.644
  164    HA   LYS  20           HA       LYS  20 -14.028 -10.623   2.993
  165   1HB   LYS  20          2HB       LYS  20 -15.676  -9.719   4.635
  166   2HB   LYS  20          1HB       LYS  20 -16.457 -10.634   3.348
  167   1HG   LYS  20          2HG       LYS  20 -17.225 -12.214   4.785
  168   2HG   LYS  20          1HG       LYS  20 -15.689 -12.296   5.648
  169   1HD   LYS  20          2HD       LYS  20 -16.319 -10.057   6.707
  170   2HD   LYS  20          1HD       LYS  20 -17.937 -10.311   6.050
  171   1HE   LYS  20          2HE       LYS  20 -17.376 -12.754   7.254
  172   2HE   LYS  20          1HE       LYS  20 -16.667 -11.575   8.375
  173   1HZ   LYS  20          1HZ       LYS  20 -19.059 -11.939   8.778
  174   2HZ   LYS  20          2HZ       LYS  20 -19.399 -11.374   7.212
  175   3HZ   LYS  20          3HZ       LYS  20 -18.713 -10.330   8.367
  176    H    THR  21           H        THR  21 -12.139 -12.375   3.888
  177    HA   THR  21           HA       THR  21 -11.775 -11.799   6.809
  178    HB   THR  21           HB       THR  21 -10.244 -13.754   5.080
  179    HG1  THR  21           1HG      THR  21 -12.621 -14.230   6.554
  180   1HG2  THR  21          1HG2      THR  21 -10.043 -14.919   7.313
  181   2HG2  THR  21          2HG2      THR  21 -10.791 -13.500   8.045
  182   3HG2  THR  21          3HG2      THR  21  -9.235 -13.354   7.226
  183    H    TRP  22           H        TRP  22  -9.900 -10.718   7.485
  184    HA   TRP  22           HA       TRP  22  -8.163  -9.589   5.312
  185   1HB   TRP  22          2HB       TRP  22  -9.066  -8.496   7.997
  186   2HB   TRP  22          1HB       TRP  22  -7.907  -7.684   6.945
  187    HD1  TRP  22           HD       TRP  22 -11.562  -8.889   6.957
  188    HE1  TRP  22           1HE      TRP  22 -12.895  -7.463   5.281
  189    HE3  TRP  22           3HE      TRP  22  -7.777  -6.104   4.967
  190    HZ2  TRP  22           2HZ      TRP  22 -12.426  -5.400   3.356
  191    HZ3  TRP  22           3HZ      TRP  22  -8.245  -4.418   3.217
  192    HH2  TRP  22           HH       TRP  22 -10.562  -4.063   2.408
  193    H    ARG  23           H        ARG  23  -5.989 -10.013   5.469
  194    HA   ARG  23           HA       ARG  23  -4.990 -11.320   7.983
  195   1HB   ARG  23          2HB       ARG  23  -4.349 -11.611   5.041
  196   2HB   ARG  23          1HB       ARG  23  -3.268 -12.238   6.287
  197   1HG   ARG  23          2HG       ARG  23  -5.470 -13.329   7.242
  198   2HG   ARG  23          1HG       ARG  23  -6.062 -13.106   5.596
  199   1HD   ARG  23          2HD       ARG  23  -3.456 -14.188   5.333
  200   2HD   ARG  23          1HD       ARG  23  -4.264 -15.141   6.589
  201    HE   ARG  23           HE       ARG  23  -5.266 -14.756   3.806
  202   1HH1  ARG  23          1HH2      ARG  23  -5.511 -16.289   6.936
  203   2HH1  ARG  23          2HH2      ARG  23  -6.697 -17.426   6.405
  204   1HH2  ARG  23          1HH1      ARG  23  -6.808 -16.246   3.145
  205   2HH2  ARG  23          2HH1      ARG  23  -7.429 -17.407   4.270
  206    HA   PRO  24           HA       PRO  24  -2.351  -7.762   8.353
  207   1HB   PRO  24          2HB       PRO  24  -0.626  -8.784  10.223
  208   2HB   PRO  24          1HB       PRO  24  -2.262  -8.223  10.621
  209   1HG   PRO  24          2HG       PRO  24  -1.263 -10.997  10.201
  210   2HG   PRO  24          1HG       PRO  24  -2.425 -10.384  11.388
  211   1HD   PRO  24          2HD       PRO  24  -3.161 -11.706   9.128
  212   2HD   PRO  24          1HD       PRO  24  -4.180 -10.480   9.917
  213    H    ARG  25           H        ARG  25  -0.697  -7.214   6.980
  214    HA   ARG  25           HA       ARG  25   1.470  -9.201   6.415
  215   1HB   ARG  25          2HB       ARG  25  -0.435  -7.801   4.552
  216   2HB   ARG  25          1HB       ARG  25   1.176  -8.235   3.983
  217   1HG   ARG  25          2HG       ARG  25   0.791 -10.548   4.295
  218   2HG   ARG  25          1HG       ARG  25  -0.607 -10.261   5.334
  219   1HD   ARG  25          2HD       ARG  25  -1.837  -9.297   3.398
  220   2HD   ARG  25          1HD       ARG  25  -0.451  -9.663   2.356
  221    HE   ARG  25           HE       ARG  25  -2.188 -11.679   3.694
  222   1HH1  ARG  25          1HH2      ARG  25   0.536 -10.933   1.642
  223   2HH1  ARG  25          2HH2      ARG  25   0.548 -12.495   0.900
  224   1HH2  ARG  25          1HH1      ARG  25  -2.156 -13.703   2.716
  225   2HH2  ARG  25          2HH1      ARG  25  -0.965 -14.062   1.510
  226    H    TYR  26           H        TYR  26   3.503  -8.219   6.147
  227    HA   TYR  26           HA       TYR  26   3.816  -5.476   7.054
  228   1HB   TYR  26          2HB       TYR  26   5.349  -7.555   7.301
  229   2HB   TYR  26          1HB       TYR  26   5.878  -7.197   5.662
  230    HD1  TYR  26           1HD      TYR  26   8.175  -6.819   6.445
  231    HD2  TYR  26           2HD      TYR  26   4.908  -4.430   7.892
  232    HE1  TYR  26           1HE      TYR  26   9.783  -5.161   7.338
  233    HE2  TYR  26           2HE      TYR  26   6.520  -2.770   8.782
  234    HH   TYR  26           HH       TYR  26   9.775  -2.713   7.920
  235    H    PHE  27           H        PHE  27   3.021  -3.922   5.642
  236    HA   PHE  27           HA       PHE  27   3.658  -4.144   2.731
  237   1HB   PHE  27          2HB       PHE  27   1.567  -2.936   4.454
  238   2HB   PHE  27          1HB       PHE  27   2.009  -1.991   3.035
  239    HD1  PHE  27           1HD      PHE  27   1.362  -5.593   3.915
  240    HD2  PHE  27           2HD      PHE  27   0.812  -2.399   1.096
  241    HE1  PHE  27           1HE      PHE  27  -0.002  -7.090   2.485
  242    HE2  PHE  27           2HE      PHE  27  -0.552  -3.896  -0.335
  243    HZ   PHE  27           HZ       PHE  27  -0.957  -6.241   0.359
  244    H    LEU  28           H        LEU  28   5.123  -2.725   1.798
  245    HA   LEU  28           HA       LEU  28   5.932  -0.299   3.357
  246   1HB   LEU  28          2HB       LEU  28   8.299  -0.880   2.879
  247   2HB   LEU  28          1HB       LEU  28   7.505  -2.129   3.833
  248    HG   LEU  28           HG       LEU  28   7.019  -2.829   1.151
  249   1HD1  LEU  28          1HD1      LEU  28   8.993  -1.117   0.839
  250   2HD1  LEU  28          2HD1      LEU  28   9.028  -2.656  -0.019
  251   3HD1  LEU  28          3HD1      LEU  28   9.983  -2.444   1.448
  252   1HD2  LEU  28          1HD2      LEU  28   9.102  -3.866   3.100
  253   2HD2  LEU  28          2HD2      LEU  28   8.486  -4.741   1.699
  254   3HD2  LEU  28          3HD2      LEU  28   7.411  -4.364   3.046
  255    H    LEU  29           H        LEU  29   6.164   1.506   2.069
  256    HA   LEU  29           HA       LEU  29   5.800   1.130  -0.872
  257   1HB   LEU  29          2HB       LEU  29   4.363   2.632   0.663
  258   2HB   LEU  29          1HB       LEU  29   5.748   3.726   0.669
  259    HG   LEU  29           HG       LEU  29   5.019   2.755  -2.014
  260   1HD1  LEU  29          1HD1      LEU  29   2.968   3.872  -0.231
  261   2HD1  LEU  29          2HD1      LEU  29   2.786   3.040  -1.775
  262   3HD1  LEU  29          3HD1      LEU  29   3.153   4.764  -1.740
  263   1HD2  LEU  29          1HD2      LEU  29   6.526   4.775  -0.998
  264   2HD2  LEU  29          2HD2      LEU  29   5.017   5.637  -1.302
  265   3HD2  LEU  29          3HD2      LEU  29   5.837   4.803  -2.621
  266    H    LYS  30           H        LYS  30   7.383   1.670  -2.318
  267    HA   LYS  30           HA       LYS  30  10.022   2.539  -1.233
  268   1HB   LYS  30          2HB       LYS  30   8.972   0.996  -3.561
  269   2HB   LYS  30          1HB       LYS  30  10.483   1.869  -3.801
  270   1HG   LYS  30          2HG       LYS  30  10.686   0.611  -1.269
  271   2HG   LYS  30          1HG       LYS  30  10.041  -0.598  -2.379
  272   1HD   LYS  30          2HD       LYS  30  11.880  -0.143  -3.959
  273   2HD   LYS  30          1HD       LYS  30  12.524   1.077  -2.861
  274   1HE   LYS  30          2HE       LYS  30  12.952  -0.609  -1.149
  275   2HE   LYS  30          1HE       LYS  30  12.179  -1.858  -2.144
  276   1HZ   LYS  30          1HZ       LYS  30  14.712  -1.613  -2.304
  277   2HZ   LYS  30          2HZ       LYS  30  14.395  -0.207  -3.208
  278   3HZ   LYS  30          3HZ       LYS  30  13.837  -1.720  -3.754
  279    H    SER  31           H        SER  31  11.299   3.873  -3.004
  280    HA   SER  31           HA       SER  31  10.046   6.463  -3.264
  281   1HB   SER  31          2HB       SER  31  12.224   7.031  -3.559
  282   2HB   SER  31          1HB       SER  31  12.596   5.330  -3.312
  283    HG   SER  31           HG       SER  31  13.330   6.449  -5.341
  284    H    ASP  32           H        ASP  32   9.841   3.666  -5.252
  285    HA   ASP  32           HA       ASP  32   9.491   5.076  -7.804
  286   1HB   ASP  32          2HB       ASP  32  10.396   2.680  -7.226
  287   2HB   ASP  32          1HB       ASP  32   8.690   2.238  -7.183
  288    H    GLY  33           H        GLY  33   7.534   4.747  -5.089
  289   1HA   GLY  33          2HA       GLY  33   5.264   5.334  -4.828
  290   2HA   GLY  33          1HA       GLY  33   5.138   5.498  -6.583
  291    H    SER  34           H        SER  34   6.291   2.696  -4.733
  292    HA   SER  34           HA       SER  34   3.923   1.140  -5.712
  293   1HB   SER  34          2HB       SER  34   5.854   0.790  -7.176
  294   2HB   SER  34          1HB       SER  34   6.874   0.432  -5.787
  295    HG   SER  34           HG       SER  34   6.012  -1.506  -5.652
  296    H    PHE  35           H        PHE  35   2.995  -0.058  -4.107
  297    HA   PHE  35           HA       PHE  35   4.308  -0.160  -1.442
  298   1HB   PHE  35          2HB       PHE  35   1.669   0.110  -2.490
  299   2HB   PHE  35          1HB       PHE  35   1.712  -1.407  -1.595
  300    HD1  PHE  35           1HD      PHE  35   3.456  -1.006   0.629
  301    HD2  PHE  35           2HD      PHE  35   0.771   1.809  -1.193
  302    HE1  PHE  35           1HE      PHE  35   3.329   0.256   2.761
  303    HE2  PHE  35           2HE      PHE  35   0.647   3.071   0.937
  304    HZ   PHE  35           HZ       PHE  35   1.927   2.294   2.915
  305    H    ILE  36           H        ILE  36   5.345  -2.014  -0.798
  306    HA   ILE  36           HA       ILE  36   4.885  -4.521  -2.369
  307    HB   ILE  36           HB       ILE  36   7.095  -3.661  -0.460
  308   1HG1  ILE  36          2HG1      ILE  36   7.144  -2.318  -2.490
  309   2HG1  ILE  36          1HG1      ILE  36   8.447  -3.502  -2.571
  310   1HG2  ILE  36          1HG2      ILE  36   6.964  -6.060  -0.477
  311   2HG2  ILE  36          2HG2      ILE  36   8.301  -5.615  -1.536
  312   3HG2  ILE  36          3HG2      ILE  36   6.751  -6.096  -2.227
  313   1HD1  ILE  36          1HD1      ILE  36   5.851  -3.442  -4.088
  314   2HD1  ILE  36          2HD1      ILE  36   6.667  -4.981  -3.808
  315   3HD1  ILE  36          3HD1      ILE  36   7.487  -3.695  -4.694
  316    H    GLY  37           H        GLY  37   3.642  -6.052  -1.396
  317   1HA   GLY  37          2HA       GLY  37   3.105  -5.850   1.517
  318   2HA   GLY  37          1HA       GLY  37   2.156  -6.783   0.361
  319    H    TYR  38           H        TYR  38   3.993  -7.271   2.924
  320    HA   TYR  38           HA       TYR  38   5.361  -9.706   1.819
  321   1HB   TYR  38          2HB       TYR  38   6.234  -7.487   3.402
  322   2HB   TYR  38          1HB       TYR  38   6.298  -8.927   4.417
  323    HD1  TYR  38           1HD      TYR  38   7.807  -7.136   1.660
  324    HD2  TYR  38           2HD      TYR  38   7.541 -10.973   3.575
  325    HE1  TYR  38           1HE      TYR  38   9.882  -7.856   0.509
  326    HE2  TYR  38           2HE      TYR  38   9.614 -11.692   2.421
  327    HH   TYR  38           HH       TYR  38  10.787 -10.684  -0.049
  328    H    LYS  39           H        LYS  39   5.091 -11.664   3.004
  329    HA   LYS  39           HA       LYS  39   2.626 -11.865   4.584
  330   1HB   LYS  39          2HB       LYS  39   3.082 -14.250   4.453
  331   2HB   LYS  39          1HB       LYS  39   3.446 -13.540   2.883
  332   1HG   LYS  39          2HG       LYS  39   5.837 -13.498   3.423
  333   2HG   LYS  39          1HG       LYS  39   5.503 -14.120   5.039
  334   1HD   LYS  39          2HD       LYS  39   4.779 -16.227   4.190
  335   2HD   LYS  39          1HD       LYS  39   4.676 -15.611   2.541
  336   1HE   LYS  39          2HE       LYS  39   6.799 -16.339   2.211
  337   2HE   LYS  39          1HE       LYS  39   7.343 -15.131   3.391
  338   1HZ   LYS  39          1HZ       LYS  39   7.969 -17.311   4.160
  339   2HZ   LYS  39          2HZ       LYS  39   6.378 -17.883   3.990
  340   3HZ   LYS  39          3HZ       LYS  39   6.744 -16.713   5.169
  341    H    GLU  40           H        GLU  40   6.098 -11.791   5.211
  342    HA   GLU  40           HA       GLU  40   5.534 -11.741   8.143
  343   1HB   GLU  40          2HB       GLU  40   6.726 -13.854   6.592
  344   2HB   GLU  40          1HB       GLU  40   7.951 -13.183   7.670
  345   1HG   GLU  40          2HG       GLU  40   5.178 -14.010   8.578
  346   2HG   GLU  40          1HG       GLU  40   6.601 -15.045   8.698
  347    H    ARG  41           H        ARG  41   8.310 -11.665   8.868
  348    HA   ARG  41           HA       ARG  41   9.201  -9.103   7.577
  349   1HB   ARG  41          2HB       ARG  41   8.299  -9.609  10.178
  350   2HB   ARG  41          1HB       ARG  41  10.053  -9.549  10.338
  351   1HG   ARG  41          2HG       ARG  41  10.126  -7.368   9.261
  352   2HG   ARG  41          1HG       ARG  41   8.396  -7.438   8.929
  353   1HD   ARG  41          2HD       ARG  41   8.784  -6.044  10.918
  354   2HD   ARG  41          1HD       ARG  41   7.982  -7.545  11.412
  355    HE   ARG  41           HE       ARG  41  10.005  -8.267  12.430
  356   1HH1  ARG  41          1HH2      ARG  41  10.515  -5.450  10.447
  357   2HH1  ARG  41          2HH2      ARG  41  12.097  -5.149  11.077
  358   1HH2  ARG  41          1HH1      ARG  41  12.066  -7.860  13.240
  359   2HH2  ARG  41          2HH1      ARG  41  12.974  -6.511  12.649
  360    HA   PRO  42           HA       PRO  42  12.596 -12.357   7.558
  361   1HB   PRO  42          2HB       PRO  42  12.823 -12.705   4.860
  362   2HB   PRO  42          1HB       PRO  42  11.715 -13.662   5.861
  363   1HG   PRO  42          2HG       PRO  42  11.142 -11.382   4.057
  364   2HG   PRO  42          1HG       PRO  42  10.162 -12.807   4.423
  365   1HD   PRO  42          2HD       PRO  42   9.756 -10.285   5.483
  366   2HD   PRO  42          1HD       PRO  42   9.154 -11.800   6.187
  367    H    GLU  43           H        GLU  43  14.644 -11.465   7.632
  368    HA   GLU  43           HA       GLU  43  15.188  -9.050   5.929
  369   1HB   GLU  43          2HB       GLU  43  16.174  -9.840   8.691
  370   2HB   GLU  43          1HB       GLU  43  16.707  -8.405   7.815
  371   1HG   GLU  43          2HG       GLU  43  13.771  -8.902   8.287
  372   2HG   GLU  43          1HG       GLU  43  14.765  -8.156   9.537
  373    H    ALA  44           H        ALA  44  16.953 -11.643   7.686
  374    HA   ALA  44           HA       ALA  44  18.782 -12.975   7.028
  375   1HB   ALA  44          1HB       ALA  44  17.134 -12.793   4.865
  376   2HB   ALA  44          2HB       ALA  44  18.633 -13.722   4.865
  377   3HB   ALA  44          3HB       ALA  44  18.608 -12.090   4.199
  378    HA   PRO  45           HA       PRO  45  22.224 -10.249   6.880
  379   1HB   PRO  45          2HB       PRO  45  24.150 -11.757   5.646
  380   2HB   PRO  45          1HB       PRO  45  23.599 -12.057   7.307
  381   1HG   PRO  45          2HG       PRO  45  22.857 -13.455   4.785
  382   2HG   PRO  45          1HG       PRO  45  23.145 -14.119   6.401
  383   1HD   PRO  45          2HD       PRO  45  20.657 -13.720   5.371
  384   2HD   PRO  45          1HD       PRO  45  21.015 -13.668   7.111
  385    H    ASP  46           H        ASP  46  21.707 -11.919   3.750
  386    HA   ASP  46           HA       ASP  46  22.907  -9.685   2.244
  387   1HB   ASP  46          2HB       ASP  46  21.629 -12.343   1.566
  388   2HB   ASP  46          1HB       ASP  46  22.165 -11.217   0.320
  389    H    GLN  47           H        GLN  47  19.736 -10.619   3.339
  390    HA   GLN  47           HA       GLN  47  17.618  -9.654   3.010
  391   1HB   GLN  47          2HB       GLN  47  19.532  -7.635   3.038
  392   2HB   GLN  47          1HB       GLN  47  18.635  -7.310   1.555
  393   1HG   GLN  47          2HG       GLN  47  16.999  -7.985   3.944
  394   2HG   GLN  47          1HG       GLN  47  17.830  -6.430   3.988
  395   1HE2  GLN  47          1HE2      GLN  47  15.452  -8.342   2.126
  396   2HE2  GLN  47          2HE2      GLN  47  14.796  -7.015   1.295
  397    H    THR  48           H        THR  48  18.610 -11.502   1.095
  398    HA   THR  48           HA       THR  48  17.855 -10.409  -1.548
  399    HB   THR  48           HB       THR  48  19.925 -11.765  -1.141
  400    HG1  THR  48           1HG      THR  48  18.024 -13.007  -2.835
  401   1HG2  THR  48          1HG2      THR  48  19.873 -13.779  -0.123
  402   2HG2  THR  48          2HG2      THR  48  18.524 -14.329  -1.116
  403   3HG2  THR  48          3HG2      THR  48  18.219 -13.381   0.340
  404    H    LEU  49           H        LEU  49  15.646 -10.344  -0.119
  405    HA   LEU  49           HA       LEU  49  14.117 -12.860  -0.682
  406   1HB   LEU  49          2HB       LEU  49  13.720 -10.586   1.289
  407   2HB   LEU  49          1HB       LEU  49  12.579 -11.915   1.081
  408    HG   LEU  49           HG       LEU  49  15.277 -12.933   1.397
  409   1HD1  LEU  49          1HD1      LEU  49  14.260 -10.925   3.399
  410   2HD1  LEU  49          2HD1      LEU  49  15.889 -11.115   2.750
  411   3HD1  LEU  49          3HD1      LEU  49  15.268 -12.274   3.924
  412   1HD2  LEU  49          1HD2      LEU  49  14.086 -14.071   3.363
  413   2HD2  LEU  49          2HD2      LEU  49  13.394 -14.355   1.766
  414   3HD2  LEU  49          3HD2      LEU  49  12.640 -13.195   2.859
  415    HA   PRO  50           HA       PRO  50  12.131 -10.355  -3.792
  416   1HB   PRO  50          2HB       PRO  50  10.311 -12.230  -4.601
  417   2HB   PRO  50          1HB       PRO  50  12.020 -12.271  -5.076
  418   1HG   PRO  50          2HG       PRO  50  10.597 -13.844  -2.996
  419   2HG   PRO  50          1HG       PRO  50  11.895 -14.336  -4.094
  420   1HD   PRO  50          2HD       PRO  50  12.270 -13.708  -1.453
  421   2HD   PRO  50          1HD       PRO  50  13.531 -13.577  -2.697
  422    HA   PRO  51           HA       PRO  51   8.547  -8.870  -1.656
  423   1HB   PRO  51          2HB       PRO  51   7.287  -7.570  -3.707
  424   2HB   PRO  51          1HB       PRO  51   8.756  -6.950  -2.930
  425   1HG   PRO  51          2HG       PRO  51   8.439  -8.356  -5.525
  426   2HG   PRO  51          1HG       PRO  51   9.541  -7.047  -5.076
  427   1HD   PRO  51          2HD       PRO  51  10.266  -9.691  -5.277
  428   2HD   PRO  51          1HD       PRO  51  11.123  -8.485  -4.292
  429    H    LEU  52           H        LEU  52   6.938 -10.290  -1.059
  430    HA   LEU  52           HA       LEU  52   5.793 -12.304  -2.749
  431   1HB   LEU  52          2HB       LEU  52   5.390 -11.152  -0.042
  432   2HB   LEU  52          1HB       LEU  52   4.000 -11.999  -0.719
  433    HG   LEU  52           HG       LEU  52   6.160 -13.660  -1.329
  434   1HD1  LEU  52          1HD1      LEU  52   7.363 -12.117   0.395
  435   2HD1  LEU  52          2HD1      LEU  52   7.516 -13.864   0.581
  436   3HD1  LEU  52          3HD1      LEU  52   6.386 -12.965   1.594
  437   1HD2  LEU  52          1HD2      LEU  52   4.450 -13.933   1.151
  438   2HD2  LEU  52          2HD2      LEU  52   5.050 -15.210   0.093
  439   3HD2  LEU  52          3HD2      LEU  52   3.774 -14.130  -0.466
  440    H    ASN  53           H        ASN  53   4.446  -9.171  -1.630
  441    HA   ASN  53           HA       ASN  53   2.382  -9.388  -3.803
  442   1HB   ASN  53          2HB       ASN  53   1.721  -9.460  -1.321
  443   2HB   ASN  53          1HB       ASN  53   2.232  -7.775  -1.244
  444   1HD2  ASN  53          1HD2      ASN  53   1.092  -6.243  -2.810
  445   2HD2  ASN  53          2HD2      ASN  53  -0.509  -6.596  -3.252
  446    H    ASN  54           H        ASN  54   2.374  -7.721  -5.303
  447    HA   ASN  54           HA       ASN  54   4.100  -5.330  -4.711
  448   1HB   ASN  54          2HB       ASN  54   4.756  -7.184  -6.454
  449   2HB   ASN  54          1HB       ASN  54   3.546  -6.401  -7.472
  450   1HD2  ASN  54          1HD2      ASN  54   6.792  -6.150  -6.259
  451   2HD2  ASN  54          2HD2      ASN  54   7.147  -4.634  -6.935
  452    H    PHE  55           H        PHE  55   2.867  -3.518  -4.546
  453    HA   PHE  55           HA       PHE  55   0.361  -3.300  -6.197
  454   1HB   PHE  55          2HB       PHE  55   0.084  -3.542  -3.715
  455   2HB   PHE  55          1HB       PHE  55   1.052  -2.085  -3.494
  456    HD1  PHE  55           1HD      PHE  55   0.212   0.119  -4.314
  457    HD2  PHE  55           2HD      PHE  55  -2.212  -3.427  -4.432
  458    HE1  PHE  55           1HE      PHE  55  -1.809   1.514  -4.642
  459    HE2  PHE  55           2HE      PHE  55  -4.236  -2.030  -4.764
  460    HZ   PHE  55           HZ       PHE  55  -4.033   0.440  -4.869
  461    H    SER  56           H        SER  56   0.026  -1.248  -7.240
  462    HA   SER  56           HA       SER  56   2.423   0.562  -7.236
  463   1HB   SER  56          2HB       SER  56   1.957   0.937  -9.557
  464   2HB   SER  56          1HB       SER  56   1.795  -0.799  -9.308
  465    HG   SER  56           HG       SER  56  -0.223  -0.628  -9.858
  466    H    VAL  57           H        VAL  57   2.086   2.677  -6.643
  467    HA   VAL  57           HA       VAL  57  -0.757   3.586  -6.304
  468    HB   VAL  57           HB       VAL  57   0.958   3.221  -4.342
  469   1HG1  VAL  57          1HG1      VAL  57   2.647   4.726  -4.056
  470   2HG1  VAL  57          2HG1      VAL  57   1.700   6.064  -4.706
  471   3HG1  VAL  57          3HG1      VAL  57   2.499   4.937  -5.800
  472   1HG2  VAL  57          1HG2      VAL  57   0.018   5.572  -3.416
  473   2HG2  VAL  57          2HG2      VAL  57  -1.005   4.148  -3.594
  474   3HG2  VAL  57          3HG2      VAL  57  -1.012   5.399  -4.837
  475    H    ALA  58           H        ALA  58   1.362   3.849  -8.634
  476    HA   ALA  58           HA       ALA  58   1.915   6.692  -8.856
  477   1HB   ALA  58          1HB       ALA  58   2.505   5.990 -11.202
  478   2HB   ALA  58          2HB       ALA  58   1.870   4.386 -10.832
  479   3HB   ALA  58          3HB       ALA  58   3.277   5.001  -9.962
  480    H    GLU  59           H        GLU  59   0.361   8.198  -9.247
  481    HA   GLU  59           HA       GLU  59  -1.600   9.227 -10.053
  482   1HB   GLU  59          2HB       GLU  59  -0.233   8.183 -12.120
  483   2HB   GLU  59          1HB       GLU  59  -1.710   7.232 -12.276
  484   1HG   GLU  59          2HG       GLU  59  -2.958   9.033 -12.913
  485   2HG   GLU  59          1HG       GLU  59  -2.123  10.129 -11.812
  486    H    CYS  60           H        CYS  60  -2.214   7.524  -8.011
  487    HA   CYS  60           HA       CYS  60  -4.597   5.978  -8.985
  488   1HB   CYS  60          2HB       CYS  60  -2.616   5.574  -6.736
  489   2HB   CYS  60          1HB       CYS  60  -4.166   4.735  -6.760
  490    H    GLN  61           H        GLN  61  -6.527   6.154  -7.703
  491    HA   GLN  61           HA       GLN  61  -6.742   8.702  -6.187
  492   1HB   GLN  61          2HB       GLN  61  -8.293   8.043  -8.051
  493   2HB   GLN  61          1HB       GLN  61  -8.835   6.684  -7.069
  494   1HG   GLN  61          2HG       GLN  61  -8.900   9.260  -5.649
  495   2HG   GLN  61          1HG       GLN  61  -9.972   9.196  -7.049
  496   1HE2  GLN  61          1HE2      GLN  61 -10.036   8.652  -3.798
  497   2HE2  GLN  61          2HE2      GLN  61 -11.199   7.418  -3.731
  498    H    LEU  62           H        LEU  62  -6.866   8.706  -3.969
  499    HA   LEU  62           HA       LEU  62  -7.293   6.081  -2.572
  500   1HB   LEU  62          2HB       LEU  62  -5.832   7.055  -0.814
  501   2HB   LEU  62          1HB       LEU  62  -5.021   7.013  -2.377
  502    HG   LEU  62           HG       LEU  62  -6.524   9.494  -1.979
  503   1HD1  LEU  62          1HD1      LEU  62  -4.247   8.851  -0.079
  504   2HD1  LEU  62          2HD1      LEU  62  -5.933   9.093   0.380
  505   3HD1  LEU  62          3HD1      LEU  62  -4.997  10.436  -0.278
  506   1HD2  LEU  62          1HD2      LEU  62  -3.544   9.275  -2.280
  507   2HD2  LEU  62          2HD2      LEU  62  -4.657  10.422  -3.024
  508   3HD2  LEU  62          3HD2      LEU  62  -4.576   8.763  -3.615
  509    H    MET  63           H        MET  63  -8.587   6.111  -0.647
  510    HA   MET  63           HA       MET  63  -9.954   8.615   0.138
  511   1HB   MET  63          2HB       MET  63 -11.251   7.878  -1.772
  512   2HB   MET  63          1HB       MET  63 -11.307   6.227  -1.157
  513   1HG   MET  63          2HG       MET  63 -13.395   7.033  -0.500
  514   2HG   MET  63          1HG       MET  63 -12.435   7.351   0.942
  515   1HE   MET  63          1HE       MET  63 -13.072   8.910  -2.598
  516   2HE   MET  63          2HE       MET  63 -14.069  10.291  -2.148
  517   3HE   MET  63          3HE       MET  63 -14.623   8.658  -1.788
  518    H    LYS  64           H        LYS  64 -10.481   8.521   2.315
  519    HA   LYS  64           HA       LYS  64  -9.844   6.071   3.832
  520   1HB   LYS  64          2HB       LYS  64 -10.905   8.812   4.629
  521   2HB   LYS  64          1HB       LYS  64 -10.335   7.582   5.756
  522   1HG   LYS  64          2HG       LYS  64  -8.183   8.158   5.415
  523   2HG   LYS  64          1HG       LYS  64  -8.374   8.062   3.664
  524   1HD   LYS  64          2HD       LYS  64  -9.738  10.357   4.169
  525   2HD   LYS  64          1HD       LYS  64  -8.536  10.418   5.458
  526   1HE   LYS  64          2HE       LYS  64  -6.721  10.146   3.810
  527   2HE   LYS  64          1HE       LYS  64  -7.918  10.048   2.502
  528   1HZ   LYS  64          1HZ       LYS  64  -7.644  12.323   4.401
  529   2HZ   LYS  64          2HZ       LYS  64  -8.746  12.221   3.111
  530   3HZ   LYS  64          3HZ       LYS  64  -7.079  12.321   2.802
  531    H    THR  65           H        THR  65 -11.451   4.881   5.057
  532    HA   THR  65           HA       THR  65 -14.299   5.645   4.681
  533    HB   THR  65           HB       THR  65 -13.786   4.390   2.686
  534    HG1  THR  65           1HG      THR  65 -15.254   2.776   2.918
  535   1HG2  THR  65          1HG2      THR  65 -11.871   3.165   2.928
  536   2HG2  THR  65          2HG2      THR  65 -13.019   1.870   3.271
  537   3HG2  THR  65          3HG2      THR  65 -12.235   2.728   4.597
  538    H    GLU  66           H        GLU  66 -15.756   4.378   6.015
  539    HA   GLU  66           HA       GLU  66 -14.462   3.356   8.500
  540   1HB   GLU  66          2HB       GLU  66 -16.241   5.243   8.307
  541   2HB   GLU  66          1HB       GLU  66 -17.390   3.936   8.017
  542   1HG   GLU  66          2HG       GLU  66 -16.917   2.931  10.142
  543   2HG   GLU  66          1HG       GLU  66 -15.533   3.992  10.404
  544    H    ARG  67           H        ARG  67 -15.662   2.088   5.634
  545    HA   ARG  67           HA       ARG  67 -16.511  -0.451   6.977
  546   1HB   ARG  67          2HB       ARG  67 -17.700   1.224   4.824
  547   2HB   ARG  67          1HB       ARG  67 -17.800  -0.523   4.602
  548   1HG   ARG  67          2HG       ARG  67 -18.451   0.069   7.327
  549   2HG   ARG  67          1HG       ARG  67 -19.406   1.127   6.289
  550   1HD   ARG  67          2HD       ARG  67 -20.372  -0.724   5.117
  551   2HD   ARG  67          1HD       ARG  67 -19.186  -1.856   5.791
  552    HE   ARG  67           HE       ARG  67 -20.335  -1.794   7.882
  553   1HH1  ARG  67          1HH2      ARG  67 -21.624   0.513   5.609
  554   2HH1  ARG  67          2HH2      ARG  67 -23.031   0.835   6.559
  555   1HH2  ARG  67          1HH1      ARG  67 -22.176  -1.359   9.104
  556   2HH2  ARG  67          2HH1      ARG  67 -23.344  -0.218   8.528
  557    HA   PRO  68           HA       PRO  68 -17.032  -2.446   6.279
  558   1HB   PRO  68          2HB       PRO  68 -15.622  -4.673   7.026
  559   2HB   PRO  68          1HB       PRO  68 -16.447  -4.521   5.462
  560   1HG   PRO  68          2HG       PRO  68 -13.566  -4.178   6.122
  561   2HG   PRO  68          1HG       PRO  68 -14.318  -4.931   4.708
  562   1HD   PRO  68          2HD       PRO  68 -13.264  -2.424   4.676
  563   2HD   PRO  68          1HD       PRO  68 -14.606  -2.932   3.630
  564    H    ARG  69           H        ARG  69 -13.731  -1.660   7.218
  565    HA   ARG  69           HA       ARG  69 -14.614  -1.565  10.088
  566   1HB   ARG  69          2HB       ARG  69 -12.114  -2.470   8.708
  567   2HB   ARG  69          1HB       ARG  69 -11.960  -1.748  10.307
  568   1HG   ARG  69          2HG       ARG  69 -12.353  -3.881  11.018
  569   2HG   ARG  69          1HG       ARG  69 -14.039  -3.441  10.747
  570   1HD   ARG  69          2HD       ARG  69 -14.150  -4.596   8.704
  571   2HD   ARG  69          1HD       ARG  69 -12.389  -4.564   8.484
  572    HE   ARG  69           HE       ARG  69 -12.808  -5.964  10.877
  573   1HH1  ARG  69          1HH2      ARG  69 -13.730  -6.263   7.539
  574   2HH1  ARG  69          2HH2      ARG  69 -13.827  -7.988   7.594
  575   1HH2  ARG  69          1HH1      ARG  69 -12.933  -8.221  10.939
  576   2HH2  ARG  69          2HH1      ARG  69 -13.372  -9.095   9.511
  577    HA   PRO  70           HA       PRO  70 -13.676   2.728   9.987
  578   1HB   PRO  70          2HB       PRO  70 -12.761   3.143  12.535
  579   2HB   PRO  70          1HB       PRO  70 -14.471   2.865  12.153
  580   1HG   PRO  70          2HG       PRO  70 -12.434   0.959  13.199
  581   2HG   PRO  70          1HG       PRO  70 -14.139   1.143  13.641
  582   1HD   PRO  70          2HD       PRO  70 -13.247  -0.819  11.992
  583   2HD   PRO  70          1HD       PRO  70 -14.874  -0.113  11.866
  584    H    ASN  71           H        ASN  71 -11.865   4.229   9.939
  585    HA   ASN  71           HA       ASN  71  -9.633   4.838   9.499
  586   1HB   ASN  71          2HB       ASN  71  -9.271   2.553  11.468
  587   2HB   ASN  71          1HB       ASN  71  -7.952   3.592  10.936
  588   1HD2  ASN  71          1HD2      ASN  71 -10.785   3.428  12.998
  589   2HD2  ASN  71          2HD2      ASN  71 -10.617   4.975  13.675
  590    H    THR  72           H        THR  72 -10.860   3.176   7.571
  591    HA   THR  72           HA       THR  72  -8.700   1.263   6.746
  592    HB   THR  72           HB       THR  72 -11.669   1.531   6.282
  593    HG1  THR  72           1HG      THR  72 -11.575  -0.043   7.629
  594   1HG2  THR  72          1HG2      THR  72 -10.784   1.193   4.044
  595   2HG2  THR  72          2HG2      THR  72 -11.474  -0.325   4.615
  596   3HG2  THR  72          3HG2      THR  72  -9.725  -0.094   4.620
  597    H    PHE  73           H        PHE  73  -7.984   1.379   4.499
  598    HA   PHE  73           HA       PHE  73  -8.437   4.068   3.229
  599   1HB   PHE  73          2HB       PHE  73  -6.088   2.369   3.836
  600   2HB   PHE  73          1HB       PHE  73  -6.077   3.074   2.223
  601    HD1  PHE  73           1HD      PHE  73  -4.366   4.707   2.456
  602    HD2  PHE  73           2HD      PHE  73  -7.595   4.576   5.286
  603    HE1  PHE  73           1HE      PHE  73  -3.618   6.867   3.414
  604    HE2  PHE  73           2HE      PHE  73  -6.847   6.737   6.238
  605    HZ   PHE  73           HZ       PHE  73  -4.856   7.878   5.306
  606    H    VAL  74           H        VAL  74  -9.399   3.981   1.228
  607    HA   VAL  74           HA       VAL  74  -9.365   1.369  -0.256
  608    HB   VAL  74           HB       VAL  74 -11.412   3.597  -0.032
  609   1HG1  VAL  74          1HG1      VAL  74 -11.365   1.179  -1.863
  610   2HG1  VAL  74          2HG1      VAL  74 -11.392   2.874  -2.350
  611   3HG1  VAL  74          3HG1      VAL  74 -12.798   2.161  -1.560
  612   1HG2  VAL  74          1HG2      VAL  74 -11.818   0.651   0.474
  613   2HG2  VAL  74          2HG2      VAL  74 -12.754   2.014   1.090
  614   3HG2  VAL  74          3HG2      VAL  74 -11.141   1.692   1.726
  615    H    ILE  75           H        ILE  75  -8.377   1.432  -2.230
  616    HA   ILE  75           HA       ILE  75  -8.024   4.095  -3.568
  617    HB   ILE  75           HB       ILE  75  -5.918   3.468  -2.578
  618   1HG1  ILE  75          2HG1      ILE  75  -5.725   2.471  -5.430
  619   2HG1  ILE  75          1HG1      ILE  75  -5.956   4.175  -5.040
  620   1HG2  ILE  75          1HG2      ILE  75  -4.884   1.246  -2.990
  621   2HG2  ILE  75          2HG2      ILE  75  -6.343   0.738  -3.839
  622   3HG2  ILE  75          3HG2      ILE  75  -6.409   1.106  -2.116
  623   1HD1  ILE  75          1HD1      ILE  75  -3.790   4.428  -4.457
  624   2HD1  ILE  75          2HD1      ILE  75  -3.511   2.851  -5.193
  625   3HD1  ILE  75          3HD1      ILE  75  -3.815   2.974  -3.460
  626    H    ARG  76           H        ARG  76  -8.896   4.097  -5.612
  627    HA   ARG  76           HA       ARG  76  -9.751   1.520  -6.792
  628   1HB   ARG  76          2HB       ARG  76 -10.949   3.911  -6.598
  629   2HB   ARG  76          1HB       ARG  76 -10.142   4.163  -8.143
  630   1HG   ARG  76          2HG       ARG  76 -11.517   1.555  -7.827
  631   2HG   ARG  76          1HG       ARG  76 -12.567   2.968  -7.905
  632   1HD   ARG  76          2HD       ARG  76 -12.352   2.727 -10.173
  633   2HD   ARG  76          1HD       ARG  76 -10.768   3.487  -9.937
  634    HE   ARG  76           HE       ARG  76  -9.753   1.374 -10.246
  635   1HH1  ARG  76          1HH2      ARG  76 -13.157   1.028  -9.574
  636   2HH1  ARG  76          2HH2      ARG  76 -13.166  -0.670  -9.905
  637   1HH2  ARG  76          1HH1      ARG  76  -9.787  -0.837 -10.671
  638   2HH2  ARG  76          2HH1      ARG  76 -11.269  -1.721 -10.527
  639    H    CYS  77           H        CYS  77  -8.420   4.351  -8.536
  640    HA   CYS  77           HA       CYS  77  -6.750   4.501 -10.188
  641   1HB   CYS  77          2HB       CYS  77  -5.596   3.498  -8.040
  642   2HB   CYS  77          1HB       CYS  77  -5.519   2.023  -9.004
  643    H    LEU  78           H        LEU  78  -5.679   3.139 -12.016
  644    HA   LEU  78           HA       LEU  78  -7.718   1.218 -13.045
  645   1HB   LEU  78          2HB       LEU  78  -5.765   3.169 -14.156
  646   2HB   LEU  78          1HB       LEU  78  -5.988   1.699 -15.101
  647    HG   LEU  78           HG       LEU  78  -7.580   3.341 -15.890
  648   1HD1  LEU  78          1HD1      LEU  78  -8.278   0.819 -15.032
  649   2HD1  LEU  78          2HD1      LEU  78  -9.310   1.876 -15.995
  650   3HD1  LEU  78          3HD1      LEU  78  -9.491   1.826 -14.242
  651   1HD2  LEU  78          1HD2      LEU  78  -7.521   4.675 -13.728
  652   2HD2  LEU  78          2HD2      LEU  78  -8.662   3.505 -13.065
  653   3HD2  LEU  78          3HD2      LEU  78  -9.120   4.495 -14.450
  654    H    GLN  79           H        GLN  79  -6.609  -0.248 -11.277
  655    HA   GLN  79           HA       GLN  79  -3.972  -1.322 -11.915
  656   1HB   GLN  79          2HB       GLN  79  -5.059  -1.155  -9.638
  657   2HB   GLN  79          1HB       GLN  79  -6.158  -2.443 -10.135
  658   1HG   GLN  79          2HG       GLN  79  -4.366  -4.010 -10.378
  659   2HG   GLN  79          1HG       GLN  79  -3.149  -2.738 -10.258
  660   1HE2  GLN  79          1HE2      GLN  79  -4.937  -5.039  -8.433
  661   2HE2  GLN  79          2HE2      GLN  79  -4.532  -4.461  -6.887
  662    H    TRP  80           H        TRP  80  -3.523  -2.980 -13.282
  663    HA   TRP  80           HA       TRP  80  -5.800  -4.568 -14.424
  664   1HB   TRP  80          2HB       TRP  80  -3.034  -3.918 -15.507
  665   2HB   TRP  80          1HB       TRP  80  -4.272  -4.833 -16.365
  666    HD1  TRP  80           HD       TRP  80  -2.912  -1.620 -16.574
  667    HE1  TRP  80           1HE      TRP  80  -4.613   0.182 -17.283
  668    HE3  TRP  80           3HE      TRP  80  -7.276  -4.105 -15.636
  669    HZ2  TRP  80           2HZ      TRP  80  -7.448   0.525 -17.433
  670    HZ3  TRP  80           3HZ      TRP  80  -9.459  -3.016 -16.070
  671    HH2  TRP  80           HH       TRP  80  -9.551  -0.707 -16.967
  672    H    THR  81           H        THR  81  -2.489  -4.769 -13.120
  673    HA   THR  81           HA       THR  81  -2.614  -7.745 -13.132
  674    HB   THR  81           HB       THR  81  -0.167  -7.307 -12.330
  675    HG1  THR  81           1HG      THR  81   0.542  -5.285 -12.493
  676   1HG2  THR  81          1HG2      THR  81  -1.011  -6.319 -15.067
  677   2HG2  THR  81          2HG2      THR  81  -0.848  -8.018 -14.623
  678   3HG2  THR  81          3HG2      THR  81   0.567  -6.967 -14.625
  679    H    THR  82           H        THR  82  -1.226  -8.488 -10.962
  680    HA   THR  82           HA       THR  82  -1.404  -8.879  -8.644
  681    HB   THR  82           HB       THR  82  -2.215  -5.983  -8.391
  682    HG1  THR  82           1HG      THR  82  -0.574  -5.501  -9.600
  683   1HG2  THR  82          1HG2      THR  82  -1.768  -7.619  -6.442
  684   2HG2  THR  82          2HG2      THR  82  -0.952  -6.057  -6.397
  685   3HG2  THR  82          3HG2      THR  82  -0.071  -7.497  -6.906
  686    H    VAL  83           H        VAL  83  -3.656  -9.668 -10.024
  687    HA   VAL  83           HA       VAL  83  -5.940 -10.166  -9.769
  688    HB   VAL  83           HB       VAL  83  -5.539  -9.222  -6.915
  689   1HG1  VAL  83          1HG1      VAL  83  -7.771 -10.122  -7.784
  690   2HG1  VAL  83          2HG1      VAL  83  -7.102 -10.953  -6.380
  691   3HG1  VAL  83          3HG1      VAL  83  -6.958 -11.674  -7.983
  692   1HG2  VAL  83          1HG2      VAL  83  -4.342 -11.594  -8.342
  693   2HG2  VAL  83          2HG2      VAL  83  -4.735 -11.696  -6.626
  694   3HG2  VAL  83          3HG2      VAL  83  -3.578 -10.493  -7.194
  695    H    ILE  84           H        ILE  84  -7.115  -8.258  -7.338
  696    HA   ILE  84           HA       ILE  84  -7.423  -5.757  -8.876
  697    HB   ILE  84           HB       ILE  84  -9.062  -7.438  -9.783
  698   1HG1  ILE  84          2HG1      ILE  84 -11.065  -5.964  -9.561
  699   2HG1  ILE  84          1HG1      ILE  84 -10.239  -5.077  -8.281
  700   1HG2  ILE  84          1HG2      ILE  84 -10.961  -7.342  -7.628
  701   2HG2  ILE  84          2HG2      ILE  84  -9.440  -7.995  -7.021
  702   3HG2  ILE  84          3HG2      ILE  84 -10.239  -8.755  -8.396
  703   1HD1  ILE  84          1HD1      ILE  84  -8.712  -4.118  -9.737
  704   2HD1  ILE  84          2HD1      ILE  84 -10.117  -4.243 -10.796
  705   3HD1  ILE  84          3HD1      ILE  84  -8.827  -5.442 -10.897
  706    H    GLU  85           H        GLU  85  -6.139  -5.951  -6.489
  707    HA   GLU  85           HA       GLU  85  -7.807  -5.729  -4.141
  708   1HB   GLU  85          2HB       GLU  85  -5.143  -6.053  -4.707
  709   2HB   GLU  85          1HB       GLU  85  -5.175  -4.371  -4.180
  710   1HG   GLU  85          2HG       GLU  85  -6.483  -6.599  -2.602
  711   2HG   GLU  85          1HG       GLU  85  -4.816  -6.093  -2.334
  712    H    ARG  86           H        ARG  86  -8.438  -3.849  -3.012
  713    HA   ARG  86           HA       ARG  86  -7.874  -1.173  -4.111
  714   1HB   ARG  86          2HB       ARG  86 -10.314  -0.711  -4.449
  715   2HB   ARG  86          1HB       ARG  86  -9.681  -1.934  -5.545
  716   1HG   ARG  86          2HG       ARG  86 -10.847  -3.653  -4.523
  717   2HG   ARG  86          1HG       ARG  86 -10.869  -2.850  -2.956
  718   1HD   ARG  86          2HD       ARG  86 -12.355  -1.568  -5.227
  719   2HD   ARG  86          1HD       ARG  86 -13.086  -2.955  -4.397
  720    HE   ARG  86           HE       ARG  86 -12.028  -1.111  -2.455
  721   1HH1  ARG  86          1HH2      ARG  86 -14.623  -1.512  -4.742
  722   2HH1  ARG  86          2HH2      ARG  86 -15.733  -0.552  -3.828
  723   1HH2  ARG  86          1HH1      ARG  86 -13.486   0.135  -1.273
  724   2HH2  ARG  86          2HH1      ARG  86 -15.093   0.380  -1.868
  725    H    THR  87           H        THR  87  -9.644  -3.146  -1.701
  726    HA   THR  87           HA       THR  87  -9.761  -0.798   0.135
  727    HB   THR  87           HB       THR  87 -10.854  -3.573   0.632
  728    HG1  THR  87           1HG      THR  87 -12.541  -3.155  -0.633
  729   1HG2  THR  87          1HG2      THR  87 -11.392  -0.780   1.594
  730   2HG2  THR  87          2HG2      THR  87 -11.162  -2.254   2.534
  731   3HG2  THR  87          3HG2      THR  87 -12.674  -1.989   1.665
  732    H    PHE  88           H        PHE  88  -7.949  -0.577   1.419
  733    HA   PHE  88           HA       PHE  88  -6.697  -3.085   2.479
  734   1HB   PHE  88          2HB       PHE  88  -4.775  -2.408   1.511
  735   2HB   PHE  88          1HB       PHE  88  -5.654  -1.079   0.772
  736    HD1  PHE  88           1HD      PHE  88  -4.048  -2.016   4.041
  737    HD2  PHE  88           2HD      PHE  88  -4.983   1.101   1.238
  738    HE1  PHE  88           1HE      PHE  88  -2.743  -0.403   5.396
  739    HE2  PHE  88           2HE      PHE  88  -3.678   2.713   2.596
  740    HZ   PHE  88           HZ       PHE  88  -2.558   1.962   4.675
  741    H    HIS  89           H        HIS  89  -6.498  -3.177   4.676
  742    HA   HIS  89           HA       HIS  89  -7.393  -0.800   6.266
  743   1HB   HIS  89          2HB       HIS  89  -7.246  -3.789   6.760
  744   2HB   HIS  89          1HB       HIS  89  -7.655  -2.636   8.028
  745    HD1  HIS  89           1HD      HIS  89 -10.104  -3.418   8.244
  746    HD2  HIS  89           2HD      HIS  89  -9.114  -2.164   4.397
  747    HE1  HIS  89           1HE      HIS  89 -12.278  -3.246   6.964
  748    H    VAL  90           H        VAL  90  -6.163  -0.218   8.176
  749    HA   VAL  90           HA       VAL  90  -3.266  -0.944   7.989
  750    HB   VAL  90           HB       VAL  90  -2.981   1.173   9.290
  751   1HG1  VAL  90          1HG1      VAL  90  -2.870   1.318   6.886
  752   2HG1  VAL  90          2HG1      VAL  90  -3.820   2.689   7.455
  753   3HG1  VAL  90          3HG1      VAL  90  -4.628   1.289   6.750
  754   1HG2  VAL  90          1HG2      VAL  90  -5.506   0.824  10.153
  755   2HG2  VAL  90          2HG2      VAL  90  -5.833   1.893   8.790
  756   3HG2  VAL  90          3HG2      VAL  90  -4.752   2.414  10.079
  757    H    ASP  91           H        ASP  91  -2.100  -1.153  10.104
  758    HA   ASP  91           HA       ASP  91  -3.326  -3.070  11.847
  759   1HB   ASP  91          2HB       ASP  91  -0.798  -2.069  11.298
  760   2HB   ASP  91          1HB       ASP  91  -1.082  -1.533  12.953
  761    H    SER  92           H        SER  92  -3.133   0.471  12.020
  762    HA   SER  92           HA       SER  92  -5.078   0.463  14.245
  763   1HB   SER  92          2HB       SER  92  -3.631   1.244  15.885
  764   2HB   SER  92          1HB       SER  92  -2.510   0.256  14.956
  765    HG   SER  92           HG       SER  92  -1.445   2.079  14.829
  766    HA   PRO  93           HA       PRO  93  -6.288   4.346  12.541
  767   1HB   PRO  93          2HB       PRO  93  -6.653   5.954  14.738
  768   2HB   PRO  93          1HB       PRO  93  -7.779   4.658  14.285
  769   1HG   PRO  93          2HG       PRO  93  -5.600   4.639  16.326
  770   2HG   PRO  93          1HG       PRO  93  -7.243   3.983  16.427
  771   1HD   PRO  93          2HD       PRO  93  -5.106   2.413  15.958
  772   2HD   PRO  93          1HD       PRO  93  -6.698   2.075  15.244
  773    H    ASP  94           H        ASP  94  -3.755   4.582  15.041
  774    HA   ASP  94           HA       ASP  94  -2.668   7.128  14.275
  775   1HB   ASP  94          2HB       ASP  94  -1.430   4.649  15.534
  776   2HB   ASP  94          1HB       ASP  94  -0.661   6.235  15.501
  777    H    GLU  95           H        GLU  95  -2.033   3.785  13.221
  778    HA   GLU  95           HA       GLU  95   0.180   4.292  11.465
  779   1HB   GLU  95          2HB       GLU  95  -1.537   2.160  12.271
  780   2HB   GLU  95          1HB       GLU  95  -1.579   2.213  10.509
  781   1HG   GLU  95          2HG       GLU  95   1.110   2.569  11.065
  782   2HG   GLU  95          1HG       GLU  95   0.606   1.421  12.302
  783    H    ARG  96           H        ARG  96  -3.339   4.134  10.874
  784    HA   ARG  96           HA       ARG  96  -3.398   4.674   8.092
  785   1HB   ARG  96          2HB       ARG  96  -5.319   3.953   9.391
  786   2HB   ARG  96          1HB       ARG  96  -5.244   5.403  10.385
  787   1HG   ARG  96          2HG       ARG  96  -5.483   6.613   8.028
  788   2HG   ARG  96          1HG       ARG  96  -6.213   5.074   7.574
  789   1HD   ARG  96          2HD       ARG  96  -7.910   6.722   8.416
  790   2HD   ARG  96          1HD       ARG  96  -7.827   5.272   9.431
  791    HE   ARG  96           HE       ARG  96  -6.878   6.577  11.160
  792   1HH1  ARG  96          1HH2      ARG  96  -6.820   8.277   8.123
  793   2HH1  ARG  96          2HH2      ARG  96  -6.199   9.735   8.818
  794   1HH2  ARG  96          1HH1      ARG  96  -6.063   8.477  12.051
  795   2HH2  ARG  96          2HH1      ARG  96  -5.778   9.852  11.038
  796    H    GLU  97           H        GLU  97  -3.221   6.921  10.861
  797    HA   GLU  97           HA       GLU  97  -3.441   9.367   9.359
  798   1HB   GLU  97          2HB       GLU  97  -3.557   8.787  11.926
  799   2HB   GLU  97          1HB       GLU  97  -1.814   9.046  11.876
  800   1HG   GLU  97          2HG       GLU  97  -2.277  11.287  10.786
  801   2HG   GLU  97          1HG       GLU  97  -3.984  11.028  11.142
  802    H    GLU  98           H        GLU  98  -0.637   7.398  10.384
  803    HA   GLU  98           HA       GLU  98   1.416   9.146   9.380
  804   1HB   GLU  98          2HB       GLU  98   1.638   7.210  10.996
  805   2HB   GLU  98          1HB       GLU  98   1.426   6.117   9.629
  806   1HG   GLU  98          2HG       GLU  98   3.444   8.152   9.076
  807   2HG   GLU  98          1HG       GLU  98   3.847   7.205  10.509
  808    H    TRP  99           H        TRP  99  -0.367   6.423   7.907
  809    HA   TRP  99           HA       TRP  99   1.057   6.258   5.443
  810   1HB   TRP  99          2HB       TRP  99  -1.839   5.758   6.196
  811   2HB   TRP  99          1HB       TRP  99  -1.151   5.291   4.643
  812    HD1  TRP  99           HD       TRP  99  -2.058   3.673   7.591
  813    HE1  TRP  99           1HE      TRP  99  -0.562   1.671   8.185
  814    HE3  TRP  99           3HE      TRP  99   1.991   4.690   4.646
  815    HZ2  TRP  99           2HZ      TRP  99   2.004   0.632   7.510
  816    HZ3  TRP  99           3HZ      TRP  99   3.950   3.170   4.650
  817    HH2  TRP  99           HH       TRP  99   3.962   1.145   6.080
  818    H    MET 100           H        MET 100  -1.834   8.193   6.320
  819    HA   MET 100           HA       MET 100  -2.319   9.418   3.810
  820   1HB   MET 100          2HB       MET 100  -3.640   9.429   6.024
  821   2HB   MET 100          1HB       MET 100  -2.591  10.763   6.508
  822   1HG   MET 100          2HG       MET 100  -3.320  12.106   4.635
  823   2HG   MET 100          1HG       MET 100  -4.219  10.750   3.953
  824   1HE   MET 100          1HE       MET 100  -6.194  13.925   5.803
  825   2HE   MET 100          2HE       MET 100  -4.951  13.678   4.580
  826   3HE   MET 100          3HE       MET 100  -4.488  13.885   6.267
  827    H    ARG 101           H        ARG 101  -0.279  10.595   6.521
  828    HA   ARG 101           HA       ARG 101   0.670  12.958   5.177
  829   1HB   ARG 101          2HB       ARG 101   0.689  12.375   7.658
  830   2HB   ARG 101          1HB       ARG 101   2.059  11.319   7.319
  831   1HG   ARG 101          2HG       ARG 101   2.975  13.421   8.035
  832   2HG   ARG 101          1HG       ARG 101   3.224  13.327   6.293
  833   1HD   ARG 101          2HD       ARG 101   2.344  15.568   7.022
  834   2HD   ARG 101          1HD       ARG 101   1.237  14.740   5.910
  835    HE   ARG 101           HE       ARG 101  -0.276  14.422   7.703
  836   1HH1  ARG 101          1HH2      ARG 101   2.851  15.422   8.860
  837   2HH1  ARG 101          2HH2      ARG 101   2.317  15.605  10.494
  838   1HH2  ARG 101          1HH1      ARG 101  -0.957  14.661   9.834
  839   2HH2  ARG 101          2HH1      ARG 101   0.167  15.174  11.047
  840    H    ALA 102           H        ALA 102   2.026   9.663   5.496
  841    HA   ALA 102           HA       ALA 102   4.480  10.184   4.081
  842   1HB   ALA 102          1HB       ALA 102   2.977   7.565   4.244
  843   2HB   ALA 102          2HB       ALA 102   3.802   8.259   5.640
  844   3HB   ALA 102          3HB       ALA 102   4.723   7.814   4.204
  845    H    ILE 103           H        ILE 103   1.264   9.062   3.003
  846    HA   ILE 103           HA       ILE 103   1.988   8.449   0.287
  847    HB   ILE 103           HB       ILE 103  -0.572   9.225   1.715
  848   1HG1  ILE 103          2HG1      ILE 103   0.054   6.604   0.377
  849   2HG1  ILE 103          1HG1      ILE 103   0.739   6.958   1.963
  850   1HG2  ILE 103          1HG2      ILE 103  -1.015   9.934  -0.510
  851   2HG2  ILE 103          2HG2      ILE 103  -1.675   8.301  -0.423
  852   3HG2  ILE 103          3HG2      ILE 103  -0.120   8.582  -1.205
  853   1HD1  ILE 103          1HD1      ILE 103  -2.098   6.478   1.191
  854   2HD1  ILE 103          2HD1      ILE 103  -1.803   7.673   2.453
  855   3HD1  ILE 103          3HD1      ILE 103  -1.238   6.016   2.659
  856    H    GLN 104           H        GLN 104   0.852  11.435   1.877
  857    HA   GLN 104           HA       GLN 104   0.580  13.058  -0.464
  858   1HB   GLN 104          2HB       GLN 104   0.509  13.305   2.391
  859   2HB   GLN 104          1HB       GLN 104   1.555  14.580   1.766
  860   1HG   GLN 104          2HG       GLN 104  -1.069  14.063   0.406
  861   2HG   GLN 104          1HG       GLN 104  -1.056  14.961   1.924
  862   1HE2  GLN 104          1HE2      GLN 104   0.477  14.964  -1.339
  863   2HE2  GLN 104          2HE2      GLN 104   0.708  16.644  -1.392
  864    H    MET 105           H        MET 105   3.380  12.427   1.670
  865    HA   MET 105           HA       MET 105   5.250  14.194   0.415
  866   1HB   MET 105          2HB       MET 105   5.354  11.689   2.077
  867   2HB   MET 105          1HB       MET 105   6.849  12.328   1.395
  868   1HG   MET 105          2HG       MET 105   6.007  14.609   2.388
  869   2HG   MET 105          1HG       MET 105   5.003  13.582   3.410
  870   1HE   MET 105          1HE       MET 105   8.230  14.642   2.122
  871   2HE   MET 105          2HE       MET 105   8.919  13.021   2.111
  872   3HE   MET 105          3HE       MET 105   9.473  14.198   3.299
  873    H    VAL 106           H        VAL 106   4.545  10.730  -0.175
  874    HA   VAL 106           HA       VAL 106   6.452  10.398  -2.316
  875    HB   VAL 106           HB       VAL 106   3.889   8.948  -1.555
  876   1HG1  VAL 106          1HG1      VAL 106   5.963   8.423  -3.657
  877   2HG1  VAL 106          2HG1      VAL 106   4.219   8.170  -3.720
  878   3HG1  VAL 106          3HG1      VAL 106   5.241   7.050  -2.818
  879   1HG2  VAL 106          1HG2      VAL 106   6.583   9.028  -0.474
  880   2HG2  VAL 106          2HG2      VAL 106   6.182   7.401  -1.022
  881   3HG2  VAL 106          3HG2      VAL 106   5.156   8.209   0.161
  882    H    ALA 107           H        ALA 107   2.972  11.208  -2.245
  883    HA   ALA 107           HA       ALA 107   2.474  11.202  -5.052
  884   1HB   ALA 107          1HB       ALA 107   1.320  12.874  -2.796
  885   2HB   ALA 107          2HB       ALA 107   0.742  11.292  -3.318
  886   3HB   ALA 107          3HB       ALA 107   0.577  12.687  -4.385
  887    H    ASN 108           H        ASN 108   3.865  13.711  -2.936
  888    HA   ASN 108           HA       ASN 108   3.794  15.873  -4.840
  889   1HB   ASN 108          2HB       ASN 108   5.533  15.228  -2.439
  890   2HB   ASN 108          1HB       ASN 108   5.592  16.774  -3.284
  891   1HD2  ASN 108          1HD2      ASN 108   4.619  16.116  -0.473
  892   2HD2  ASN 108          2HD2      ASN 108   3.038  16.729  -0.411
  893    H    SER 109           H        SER 109   6.360  13.513  -3.995
  894    HA   SER 109           HA       SER 109   8.217  14.524  -6.009
  895   1HB   SER 109          2HB       SER 109   8.067  12.029  -4.295
  896   2HB   SER 109          1HB       SER 109   9.439  12.406  -5.333
  897    HG   SER 109           HG       SER 109   9.964  14.061  -4.061
  898    H    LEU 110           H        LEU 110   5.454  12.482  -6.165
  899    HA   LEU 110           HA       LEU 110   6.357  10.770  -8.359
  900   1HB   LEU 110          2HB       LEU 110   4.156  11.023  -6.521
  901   2HB   LEU 110          1HB       LEU 110   3.519  10.905  -8.160
  902    HG   LEU 110           HG       LEU 110   4.852   8.870  -8.548
  903   1HD1  LEU 110          1HD1      LEU 110   6.700   9.518  -6.954
  904   2HD1  LEU 110          2HD1      LEU 110   6.149   7.852  -6.774
  905   3HD1  LEU 110          3HD1      LEU 110   5.628   9.082  -5.623
  906   1HD2  LEU 110          1HD2      LEU 110   3.714   7.431  -6.750
  907   2HD2  LEU 110          2HD2      LEU 110   2.655   8.441  -7.733
  908   3HD2  LEU 110          3HD2      LEU 110   3.082   8.943  -6.097
  909    H    LYS 111           H        LYS 111   4.905  13.954  -8.096
  910    HA   LYS 111           HA       LYS 111   4.636  14.014 -11.085
  911   1HB   LYS 111          2HB       LYS 111   2.839  15.238  -8.963
  912   2HB   LYS 111          1HB       LYS 111   2.630  15.436 -10.704
  913   1HG   LYS 111          2HG       LYS 111   2.381  12.984 -10.948
  914   2HG   LYS 111          1HG       LYS 111   2.557  12.800  -9.202
  915   1HD   LYS 111          2HD       LYS 111   0.484  14.715 -10.185
  916   2HD   LYS 111          1HD       LYS 111   0.149  12.992 -10.352
  917   1HE   LYS 111          2HE       LYS 111   0.177  12.623  -8.034
  918   2HE   LYS 111          1HE       LYS 111   1.153  14.072  -7.719
  919   1HZ   LYS 111          1HZ       LYS 111  -1.193  14.441  -7.179
  920   2HZ   LYS 111          2HZ       LYS 111  -1.631  14.072  -8.778
  921   3HZ   LYS 111          3HZ       LYS 111  -0.688  15.448  -8.446
  Start of MODEL   18
    1   1H    MET   1          1H        MET   1  11.162   3.884 -15.065
    2   2H    MET   1          2H        MET   1  12.675   4.597 -15.364
    3   3H    MET   1          3H        MET   1  11.288   5.567 -15.236
    4    HA   MET   1           HA       MET   1  12.536   5.755 -13.195
    5   1HB   MET   1          2HB       MET   1   9.920   4.290 -13.346
    6   2HB   MET   1          1HB       MET   1  10.646   4.555 -11.762
    7   1HG   MET   1          2HG       MET   1   9.559   6.555 -11.869
    8   2HG   MET   1          1HG       MET   1  10.932   7.033 -12.866
    9   1HE   MET   1          1HE       MET   1   7.264   7.268 -12.665
   10   2HE   MET   1          2HE       MET   1   7.464   5.518 -12.696
   11   3HE   MET   1          3HE       MET   1   6.612   6.324 -14.010
   12    H    ASN   2           H        ASN   2  13.827   4.755 -11.628
   13    HA   ASN   2           HA       ASN   2  13.822   1.868 -11.179
   14   1HB   ASN   2          2HB       ASN   2  16.014   1.442 -12.180
   15   2HB   ASN   2          1HB       ASN   2  14.949   2.130 -13.403
   16   1HD2  ASN   2          1HD2      ASN   2  17.938   2.592 -11.700
   17   2HD2  ASN   2          2HD2      ASN   2  18.310   4.120 -12.340
   18    H    GLU   3           H        GLU   3  15.763   1.282  -9.714
   19    HA   GLU   3           HA       GLU   3  16.902   1.643  -7.685
   20   1HB   GLU   3          2HB       GLU   3  18.034   3.121  -9.587
   21   2HB   GLU   3          1HB       GLU   3  17.433   4.451  -8.597
   22   1HG   GLU   3          2HG       GLU   3  18.513   2.813  -6.689
   23   2HG   GLU   3          1HG       GLU   3  19.602   2.526  -8.047
   24    H    VAL   4           H        VAL   4  14.420   1.745  -7.003
   25    HA   VAL   4           HA       VAL   4  13.694   4.416  -5.901
   26    HB   VAL   4           HB       VAL   4  12.207   1.774  -6.081
   27   1HG1  VAL   4          1HG1      VAL   4  10.237   3.021  -5.455
   28   2HG1  VAL   4          2HG1      VAL   4  11.134   4.539  -5.474
   29   3HG1  VAL   4          3HG1      VAL   4  11.476   3.329  -4.239
   30   1HG2  VAL   4          1HG2      VAL   4  11.945   4.314  -7.724
   31   2HG2  VAL   4          2HG2      VAL   4  10.996   2.843  -7.931
   32   3HG2  VAL   4          3HG2      VAL   4  12.725   2.833  -8.279
   33    H    SER   5           H        SER   5  14.176   4.853  -3.800
   34    HA   SER   5           HA       SER   5  15.120   2.733  -1.986
   35   1HB   SER   5          2HB       SER   5  15.404   4.786  -0.492
   36   2HB   SER   5          1HB       SER   5  16.286   4.832  -2.016
   37    HG   SER   5           HG       SER   5  15.249   6.656  -2.250
   38    H    VAL   6           H        VAL   6  14.185   2.625   0.273
   39    HA   VAL   6           HA       VAL   6  11.232   2.518   0.142
   40    HB   VAL   6           HB       VAL   6  13.337   1.664   2.151
   41   1HG1  VAL   6          1HG1      VAL   6  10.318   1.393   2.267
   42   2HG1  VAL   6          2HG1      VAL   6  11.350   2.239   3.419
   43   3HG1  VAL   6          3HG1      VAL   6  11.428   0.482   3.291
   44   1HG2  VAL   6          1HG2      VAL   6  12.742  -0.577   1.433
   45   2HG2  VAL   6          2HG2      VAL   6  13.080   0.384  -0.007
   46   3HG2  VAL   6          3HG2      VAL   6  11.413   0.045   0.455
   47    H    ILE   7           H        ILE   7   9.889   3.957   1.186
   48    HA   ILE   7           HA       ILE   7  11.160   6.259   2.587
   49    HB   ILE   7           HB       ILE   7   8.735   5.728   0.947
   50   1HG1  ILE   7          2HG1      ILE   7   9.301   7.881   0.002
   51   2HG1  ILE   7          1HG1      ILE   7  10.387   8.240   1.343
   52   1HG2  ILE   7          1HG2      ILE   7   8.757   7.633   3.291
   53   2HG2  ILE   7          2HG2      ILE   7   7.524   6.450   2.854
   54   3HG2  ILE   7          3HG2      ILE   7   7.730   7.907   1.884
   55   1HD1  ILE   7          1HD1      ILE   7  11.949   6.568   0.650
   56   2HD1  ILE   7          2HD1      ILE   7  11.505   7.449  -0.811
   57   3HD1  ILE   7          3HD1      ILE   7  10.798   5.867  -0.488
   58    H    LYS   8           H        LYS   8   8.655   3.740   3.073
   59    HA   LYS   8           HA       LYS   8   8.914   4.158   6.006
   60   1HB   LYS   8          2HB       LYS   8   6.872   5.294   4.417
   61   2HB   LYS   8          1HB       LYS   8   6.124   3.938   5.261
   62   1HG   LYS   8          2HG       LYS   8   7.166   4.835   7.397
   63   2HG   LYS   8          1HG       LYS   8   7.599   6.282   6.484
   64   1HD   LYS   8          2HD       LYS   8   5.279   6.746   5.986
   65   2HD   LYS   8          1HD       LYS   8   4.772   5.205   6.680
   66   1HE   LYS   8          2HE       LYS   8   6.294   7.181   8.378
   67   2HE   LYS   8          1HE       LYS   8   4.543   7.357   8.152
   68   1HZ   LYS   8          1HZ       LYS   8   4.287   5.012   8.783
   69   2HZ   LYS   8          2HZ       LYS   8   4.976   5.931  10.038
   70   3HZ   LYS   8          3HZ       LYS   8   5.953   4.911   9.090
   71    H    GLU   9           H        GLU   9   7.914   2.388   7.236
   72    HA   GLU   9           HA       GLU   9   7.230  -0.062   5.668
   73   1HB   GLU   9          2HB       GLU   9   8.793  -1.326   7.174
   74   2HB   GLU   9          1HB       GLU   9   9.624  -0.153   6.153
   75   1HG   GLU   9          2HG       GLU   9   9.582   1.472   8.051
   76   2HG   GLU   9          1HG       GLU   9   8.863   0.223   9.066
   77    H    GLY  10           H        GLY  10   5.535  -1.194   6.623
   78   1HA   GLY  10          2HA       GLY  10   5.016  -1.127   9.477
   79   2HA   GLY  10          1HA       GLY  10   3.888  -0.105   8.591
   80    H    TRP  11           H        TRP  11   2.795  -2.226   9.918
   81    HA   TRP  11           HA       TRP  11   2.466  -4.413   7.907
   82   1HB   TRP  11          2HB       TRP  11   2.093  -4.074  10.864
   83   2HB   TRP  11          1HB       TRP  11   1.149  -5.313  10.038
   84    HD1  TRP  11           HD       TRP  11   4.801  -4.249  10.619
   85    HE1  TRP  11           1HE      TRP  11   6.309  -6.323  10.347
   86    HE3  TRP  11           3HE      TRP  11   1.332  -7.681   9.096
   87    HZ2  TRP  11           2HZ      TRP  11   6.081  -9.063   9.586
   88    HZ3  TRP  11           3HZ      TRP  11   2.009 -10.015   8.605
   89    HH2  TRP  11           HH       TRP  11   4.382 -10.708   8.849
   90    H    LEU  12           H        LEU  12   0.570  -4.573   6.756
   91    HA   LEU  12           HA       LEU  12  -1.778  -2.948   7.678
   92   1HB   LEU  12          2HB       LEU  12  -0.539  -3.275   4.933
   93   2HB   LEU  12          1HB       LEU  12  -2.147  -2.600   5.174
   94    HG   LEU  12           HG       LEU  12   0.359  -1.520   6.496
   95   1HD1  LEU  12          1HD1      LEU  12   0.766  -0.276   4.660
   96   2HD1  LEU  12          2HD1      LEU  12  -0.926   0.205   4.536
   97   3HD1  LEU  12          3HD1      LEU  12  -0.382  -1.303   3.802
   98   1HD2  LEU  12          1HD2      LEU  12  -2.510  -1.030   6.761
   99   2HD2  LEU  12          2HD2      LEU  12  -1.620   0.439   6.367
  100   3HD2  LEU  12          3HD2      LEU  12  -1.186  -0.499   7.796
  101    H    HIS  13           H        HIS  13  -3.784  -3.943   7.423
  102    HA   HIS  13           HA       HIS  13  -3.790  -6.861   7.073
  103   1HB   HIS  13          2HB       HIS  13  -5.638  -4.690   7.963
  104   2HB   HIS  13          1HB       HIS  13  -6.365  -6.204   7.428
  105    HD1  HIS  13           1HD      HIS  13  -6.226  -8.180   8.997
  106    HD2  HIS  13           2HD      HIS  13  -3.769  -5.036  10.195
  107    HE1  HIS  13           1HE      HIS  13  -5.350  -8.792  11.293
  108    H    LYS  14           H        LYS  14  -4.578  -7.974   5.314
  109    HA   LYS  14           HA       LYS  14  -5.751  -6.387   3.048
  110   1HB   LYS  14          2HB       LYS  14  -3.315  -7.341   2.966
  111   2HB   LYS  14          1HB       LYS  14  -4.108  -8.901   2.752
  112   1HG   LYS  14          2HG       LYS  14  -4.796  -6.517   1.027
  113   2HG   LYS  14          1HG       LYS  14  -3.485  -7.619   0.612
  114   1HD   LYS  14          2HD       LYS  14  -5.546  -9.353   1.210
  115   2HD   LYS  14          1HD       LYS  14  -6.391  -8.018   0.428
  116   1HE   LYS  14          2HE       LYS  14  -5.101  -8.238  -1.572
  117   2HE   LYS  14          1HE       LYS  14  -3.914  -9.289  -0.776
  118   1HZ   LYS  14          1HZ       LYS  14  -5.822 -10.355  -2.157
  119   2HZ   LYS  14          2HZ       LYS  14  -6.767 -10.046  -0.777
  120   3HZ   LYS  14          3HZ       LYS  14  -5.389 -11.038  -0.667
  121    H    ARG  15           H        ARG  15  -7.693  -7.205   2.256
  122    HA   ARG  15           HA       ARG  15  -9.049  -9.369   3.641
  123   1HB   ARG  15          2HB       ARG  15 -10.047  -7.315   2.523
  124   2HB   ARG  15          1HB       ARG  15  -9.722  -8.090   0.976
  125   1HG   ARG  15          2HG       ARG  15 -11.069  -9.908   2.808
  126   2HG   ARG  15          1HG       ARG  15 -12.005  -8.435   2.560
  127   1HD   ARG  15          2HD       ARG  15 -10.831 -10.036   0.263
  128   2HD   ARG  15          1HD       ARG  15 -12.481 -10.273   0.864
  129    HE   ARG  15           HE       ARG  15 -11.485  -7.889  -0.562
  130   1HH1  ARG  15          1HH2      ARG  15 -13.948  -9.311   1.447
  131   2HH1  ARG  15          2HH2      ARG  15 -15.151  -8.156   0.993
  132   1HH2  ARG  15          1HH1      ARG  15 -13.067  -6.396  -1.151
  133   2HH2  ARG  15          2HH1      ARG  15 -14.656  -6.509  -0.472
  134    H    GLY  16           H        GLY  16  -9.201 -11.527   3.044
  135   1HA   GLY  16          2HA       GLY  16  -7.296 -12.802   1.437
  136   2HA   GLY  16          1HA       GLY  16  -8.862 -13.509   1.823
  137    H    GLU  17           H        GLU  17 -10.723 -12.725   0.402
  138    HA   GLU  17           HA       GLU  17 -10.054 -11.608  -2.224
  139   1HB   GLU  17          2HB       GLU  17  -9.204 -13.980  -2.264
  140   2HB   GLU  17          1HB       GLU  17 -10.858 -14.530  -1.995
  141   1HG   GLU  17          2HG       GLU  17 -10.577 -14.628  -4.347
  142   2HG   GLU  17          1HG       GLU  17 -11.474 -13.134  -4.074
  143    H    TYR  18           H        TYR  18 -12.503 -13.988  -1.105
  144    HA   TYR  18           HA       TYR  18 -14.618 -12.003  -1.852
  145   1HB   TYR  18          2HB       TYR  18 -16.024 -13.994  -2.236
  146   2HB   TYR  18          1HB       TYR  18 -14.534 -14.094  -3.165
  147    HD1  TYR  18           1HD      TYR  18 -12.813 -15.732  -2.626
  148    HD2  TYR  18           2HD      TYR  18 -16.382 -15.416  -0.255
  149    HE1  TYR  18           1HE      TYR  18 -12.295 -17.907  -1.557
  150    HE2  TYR  18           2HE      TYR  18 -15.861 -17.589   0.817
  151    HH   TYR  18           HH       TYR  18 -12.998 -18.972   0.873
  152    H    ILE  19           H        ILE  19 -13.515 -14.191   0.718
  153    HA   ILE  19           HA       ILE  19 -15.830 -13.876   2.425
  154    HB   ILE  19           HB       ILE  19 -14.031 -15.687   2.436
  155   1HG1  ILE  19          2HG1      ILE  19 -14.309 -14.431   5.163
  156   2HG1  ILE  19          1HG1      ILE  19 -15.719 -15.086   4.329
  157   1HG2  ILE  19          1HG2      ILE  19 -12.216 -13.758   2.488
  158   2HG2  ILE  19          2HG2      ILE  19 -11.915 -15.290   3.307
  159   3HG2  ILE  19          3HG2      ILE  19 -12.443 -13.886   4.232
  160   1HD1  ILE  19          1HD1      ILE  19 -13.172 -16.610   4.959
  161   2HD1  ILE  19          2HD1      ILE  19 -14.569 -17.263   4.104
  162   3HD1  ILE  19          3HD1      ILE  19 -14.714 -16.788   5.796
  163    H    LYS  20           H        LYS  20 -15.712 -12.704   4.577
  164    HA   LYS  20           HA       LYS  20 -14.575  -9.989   4.183
  165   1HB   LYS  20          2HB       LYS  20 -16.831 -11.262   5.546
  166   2HB   LYS  20          1HB       LYS  20 -16.015 -10.081   6.571
  167   1HG   LYS  20          2HG       LYS  20 -16.174  -8.414   4.727
  168   2HG   LYS  20          1HG       LYS  20 -17.080  -9.590   3.774
  169   1HD   LYS  20          2HD       LYS  20 -18.914  -9.563   5.276
  170   2HD   LYS  20          1HD       LYS  20 -17.967  -8.789   6.548
  171   1HE   LYS  20          2HE       LYS  20 -17.726  -6.896   4.629
  172   2HE   LYS  20          1HE       LYS  20 -19.309  -7.566   4.185
  173   1HZ   LYS  20          1HZ       LYS  20 -19.498  -5.827   5.889
  174   2HZ   LYS  20          2HZ       LYS  20 -18.513  -6.739   6.932
  175   3HZ   LYS  20          3HZ       LYS  20 -20.037  -7.330   6.463
  176    H    THR  21           H        THR  21 -12.562 -11.892   4.690
  177    HA   THR  21           HA       THR  21 -11.830 -11.391   7.557
  178    HB   THR  21           HB       THR  21 -10.638 -13.470   5.715
  179    HG1  THR  21           1HG      THR  21 -12.238 -14.844   6.272
  180   1HG2  THR  21          1HG2      THR  21  -9.467 -13.029   7.819
  181   2HG2  THR  21          2HG2      THR  21 -10.223 -14.622   7.872
  182   3HG2  THR  21          3HG2      THR  21 -10.965 -13.265   8.720
  183    H    TRP  22           H        TRP  22  -9.928 -10.280   7.941
  184    HA   TRP  22           HA       TRP  22  -8.277  -9.509   5.553
  185   1HB   TRP  22          2HB       TRP  22  -8.971  -7.956   8.074
  186   2HB   TRP  22          1HB       TRP  22  -7.943  -7.362   6.773
  187    HD1  TRP  22           HD       TRP  22 -11.565  -8.566   7.342
  188    HE1  TRP  22           1HE      TRP  22 -13.095  -7.380   5.645
  189    HE3  TRP  22           3HE      TRP  22  -8.065  -6.013   4.638
  190    HZ2  TRP  22           2HZ      TRP  22 -12.866  -5.589   3.428
  191    HZ3  TRP  22           3HZ      TRP  22  -8.751  -4.573   2.742
  192    HH2  TRP  22           HH       TRP  22 -11.146  -4.358   2.134
  193    H    ARG  23           H        ARG  23  -6.233 -10.333   5.684
  194    HA   ARG  23           HA       ARG  23  -5.175 -11.160   8.352
  195   1HB   ARG  23          2HB       ARG  23  -4.417 -11.806   5.483
  196   2HB   ARG  23          1HB       ARG  23  -3.562 -12.440   6.889
  197   1HG   ARG  23          2HG       ARG  23  -6.543 -12.794   6.489
  198   2HG   ARG  23          1HG       ARG  23  -5.356 -13.967   5.918
  199   1HD   ARG  23          2HD       ARG  23  -4.488 -13.709   8.456
  200   2HD   ARG  23          1HD       ARG  23  -6.203 -13.344   8.709
  201    HE   ARG  23           HE       ARG  23  -6.672 -15.490   7.405
  202   1HH1  ARG  23          1HH2      ARG  23  -3.652 -15.024   9.105
  203   2HH1  ARG  23          2HH2      ARG  23  -3.351 -16.716   9.251
  204   1HH2  ARG  23          1HH1      ARG  23  -6.253 -17.684   7.627
  205   2HH2  ARG  23          2HH1      ARG  23  -4.814 -18.215   8.430
  206    HA   PRO  24           HA       PRO  24  -2.426  -7.691   8.319
  207   1HB   PRO  24          2HB       PRO  24  -0.559  -8.639  10.090
  208   2HB   PRO  24          1HB       PRO  24  -2.152  -8.033  10.588
  209   1HG   PRO  24          2HG       PRO  24  -1.234 -10.844  10.207
  210   2HG   PRO  24          1HG       PRO  24  -2.253 -10.154  11.481
  211   1HD   PRO  24          2HD       PRO  24  -3.272 -11.552   9.403
  212   2HD   PRO  24          1HD       PRO  24  -4.153 -10.218  10.184
  213    H    ARG  25           H        ARG  25  -0.660  -7.123   7.080
  214    HA   ARG  25           HA       ARG  25   1.261  -9.245   6.206
  215   1HB   ARG  25          2HB       ARG  25  -0.689  -7.632   4.622
  216   2HB   ARG  25          1HB       ARG  25   0.907  -7.863   3.909
  217   1HG   ARG  25          2HG       ARG  25  -0.042  -9.798   3.135
  218   2HG   ARG  25          1HG       ARG  25   0.417 -10.392   4.731
  219   1HD   ARG  25          2HD       ARG  25  -1.810  -9.963   5.602
  220   2HD   ARG  25          1HD       ARG  25  -2.286  -9.157   4.097
  221    HE   ARG  25           HE       ARG  25  -2.411 -11.272   3.031
  222   1HH1  ARG  25          1HH2      ARG  25  -0.939 -11.519   6.183
  223   2HH1  ARG  25          2HH2      ARG  25  -0.992 -13.250   6.194
  224   1HH2  ARG  25          1HH1      ARG  25  -2.482 -13.511   3.067
  225   2HH2  ARG  25          2HH1      ARG  25  -1.859 -14.375   4.433
  226    H    TYR  26           H        TYR  26   3.379  -8.423   5.883
  227    HA   TYR  26           HA       TYR  26   3.952  -5.813   7.052
  228   1HB   TYR  26          2HB       TYR  26   5.370  -7.904   7.204
  229   2HB   TYR  26          1HB       TYR  26   5.772  -7.685   5.501
  230    HD1  TYR  26           1HD      TYR  26   8.184  -7.502   6.200
  231    HD2  TYR  26           2HD      TYR  26   5.215  -4.669   7.478
  232    HE1  TYR  26           1HE      TYR  26   9.971  -5.898   6.810
  233    HE2  TYR  26           2HE      TYR  26   7.003  -3.069   8.087
  234    HH   TYR  26           HH       TYR  26   9.652  -3.444   8.778
  235    H    PHE  27           H        PHE  27   3.396  -4.036   5.861
  236    HA   PHE  27           HA       PHE  27   3.744  -4.043   2.908
  237   1HB   PHE  27          2HB       PHE  27   2.163  -2.605   4.970
  238   2HB   PHE  27          1HB       PHE  27   2.629  -1.655   3.560
  239    HD1  PHE  27           1HD      PHE  27   1.143  -4.981   4.477
  240    HD2  PHE  27           2HD      PHE  27   1.368  -1.800   1.607
  241    HE1  PHE  27           1HE      PHE  27  -0.656  -6.052   3.151
  242    HE2  PHE  27           2HE      PHE  27  -0.431  -2.868   0.276
  243    HZ   PHE  27           HZ       PHE  27  -1.445  -4.995   1.051
  244    H    LEU  28           H        LEU  28   5.282  -2.809   1.886
  245    HA   LEU  28           HA       LEU  28   7.011  -1.030   3.581
  246   1HB   LEU  28          2HB       LEU  28   7.548  -3.281   1.781
  247   2HB   LEU  28          1HB       LEU  28   8.480  -1.850   1.350
  248    HG   LEU  28           HG       LEU  28   9.712  -3.250   2.963
  249   1HD1  LEU  28          1HD1      LEU  28  10.267  -1.510   4.546
  250   2HD1  LEU  28          2HD1      LEU  28   8.711  -0.719   4.292
  251   3HD1  LEU  28          3HD1      LEU  28   9.908  -0.745   2.998
  252   1HD2  LEU  28          1HD2      LEU  28   8.854  -3.922   5.011
  253   2HD2  LEU  28          2HD2      LEU  28   7.391  -3.960   4.028
  254   3HD2  LEU  28          3HD2      LEU  28   7.706  -2.587   5.089
  255    H    LEU  29           H        LEU  29   6.934   1.080   2.919
  256    HA   LEU  29           HA       LEU  29   5.718   1.740   0.285
  257   1HB   LEU  29          2HB       LEU  29   5.164   2.706   2.658
  258   2HB   LEU  29          1HB       LEU  29   6.611   3.681   2.411
  259    HG   LEU  29           HG       LEU  29   4.566   3.565   0.220
  260   1HD1  LEU  29          1HD1      LEU  29   3.053   4.133   1.902
  261   2HD1  LEU  29          2HD1      LEU  29   3.657   5.723   1.435
  262   3HD1  LEU  29          3HD1      LEU  29   4.283   4.930   2.881
  263   1HD2  LEU  29          1HD2      LEU  29   5.659   6.154   0.868
  264   2HD2  LEU  29          2HD2      LEU  29   5.884   5.200  -0.598
  265   3HD2  LEU  29          3HD2      LEU  29   6.968   4.975   0.775
  266    H    LYS  30           H        LYS  30   6.922   2.583  -1.390
  267    HA   LYS  30           HA       LYS  30   9.838   3.079  -0.878
  268   1HB   LYS  30          2HB       LYS  30   8.228   2.032  -3.211
  269   2HB   LYS  30          1HB       LYS  30   9.893   2.575  -3.412
  270   1HG   LYS  30          2HG       LYS  30   9.634   0.832  -1.100
  271   2HG   LYS  30          1HG       LYS  30   9.061   0.036  -2.565
  272   1HD   LYS  30          2HD       LYS  30  11.641   1.559  -2.675
  273   2HD   LYS  30          1HD       LYS  30  11.630  -0.033  -1.916
  274   1HE   LYS  30          2HE       LYS  30  10.494  -0.916  -4.017
  275   2HE   LYS  30          1HE       LYS  30  10.845   0.652  -4.767
  276   1HZ   LYS  30          1HZ       LYS  30  13.197   0.335  -4.027
  277   2HZ   LYS  30          2HZ       LYS  30  12.685  -0.768  -5.217
  278   3HZ   LYS  30          3HZ       LYS  30  12.796  -1.260  -3.595
  279    H    SER  31           H        SER  31  10.778   4.628  -2.612
  280    HA   SER  31           HA       SER  31   9.420   7.199  -2.433
  281   1HB   SER  31          2HB       SER  31  11.959   6.500  -2.499
  282   2HB   SER  31          1HB       SER  31  11.742   6.583  -4.245
  283    HG   SER  31           HG       SER  31  11.064   8.724  -4.010
  284    H    ASP  32           H        ASP  32   8.986   4.605  -4.569
  285    HA   ASP  32           HA       ASP  32   8.580   6.142  -7.032
  286   1HB   ASP  32          2HB       ASP  32   9.373   3.817  -7.011
  287   2HB   ASP  32          1HB       ASP  32   7.916   3.307  -6.161
  288    H    GLY  33           H        GLY  33   6.813   5.968  -4.203
  289   1HA   GLY  33          2HA       GLY  33   4.641   6.776  -3.767
  290   2HA   GLY  33          1HA       GLY  33   4.376   6.924  -5.508
  291    H    SER  34           H        SER  34   5.470   4.044  -3.766
  292    HA   SER  34           HA       SER  34   2.838   2.729  -4.080
  293   1HB   SER  34          2HB       SER  34   4.044   0.905  -5.436
  294   2HB   SER  34          1HB       SER  34   3.748   2.426  -6.272
  295    HG   SER  34           HG       SER  34   5.826   2.608  -6.482
  296    H    PHE  35           H        PHE  35   2.629   0.983  -2.640
  297    HA   PHE  35           HA       PHE  35   5.078   0.233  -1.092
  298   1HB   PHE  35          2HB       PHE  35   3.326  -0.023   0.844
  299   2HB   PHE  35          1HB       PHE  35   3.929   1.576   0.437
  300    HD1  PHE  35           1HD      PHE  35   2.512   3.168  -0.853
  301    HD2  PHE  35           2HD      PHE  35   1.033  -0.648   0.445
  302    HE1  PHE  35           1HE      PHE  35   0.185   3.939  -1.234
  303    HE2  PHE  35           2HE      PHE  35  -1.291   0.120   0.064
  304    HZ   PHE  35           HZ       PHE  35  -1.716   2.414  -0.774
  305    H    ILE  36           H        ILE  36   5.393  -1.943  -0.854
  306    HA   ILE  36           HA       ILE  36   3.330  -3.754  -2.040
  307    HB   ILE  36           HB       ILE  36   6.327  -3.829  -1.651
  308   1HG1  ILE  36          2HG1      ILE  36   5.919  -4.509  -4.199
  309   2HG1  ILE  36          1HG1      ILE  36   4.386  -3.683  -3.927
  310   1HG2  ILE  36          1HG2      ILE  36   4.457  -6.096  -1.789
  311   2HG2  ILE  36          2HG2      ILE  36   6.156  -6.067  -1.317
  312   3HG2  ILE  36          3HG2      ILE  36   5.716  -6.143  -3.022
  313   1HD1  ILE  36          1HD1      ILE  36   6.776  -2.452  -4.596
  314   2HD1  ILE  36          2HD1      ILE  36   6.677  -2.204  -2.853
  315   3HD1  ILE  36          3HD1      ILE  36   5.370  -1.646  -3.899
  316    H    GLY  37           H        GLY  37   2.304  -5.218  -0.762
  317   1HA   GLY  37          2HA       GLY  37   3.096  -5.415   2.095
  318   2HA   GLY  37          1HA       GLY  37   1.528  -5.870   1.432
  319    H    TYR  38           H        TYR  38   3.907  -7.284   2.924
  320    HA   TYR  38           HA       TYR  38   4.112  -9.661   1.103
  321   1HB   TYR  38          2HB       TYR  38   6.047  -8.140   2.310
  322   2HB   TYR  38          1HB       TYR  38   5.824  -9.412   3.508
  323    HD1  TYR  38           1HD      TYR  38   6.231 -11.778   2.929
  324    HD2  TYR  38           2HD      TYR  38   6.963  -8.616   0.117
  325    HE1  TYR  38           1HE      TYR  38   7.571 -13.328   1.536
  326    HE2  TYR  38           2HE      TYR  38   8.300 -10.166  -1.277
  327    HH   TYR  38           HH       TYR  38   9.631 -12.316  -0.860
  328    H    LYS  39           H        LYS  39   3.435 -11.683   1.927
  329    HA   LYS  39           HA       LYS  39   1.413 -11.867   3.889
  330   1HB   LYS  39          2HB       LYS  39   2.358 -13.520   2.075
  331   2HB   LYS  39          1HB       LYS  39   3.377 -14.097   3.393
  332   1HG   LYS  39          2HG       LYS  39   1.381 -14.536   4.763
  333   2HG   LYS  39          1HG       LYS  39   0.349 -13.925   3.470
  334   1HD   LYS  39          2HD       LYS  39   0.322 -16.291   3.215
  335   2HD   LYS  39          1HD       LYS  39   1.431 -15.708   1.975
  336   1HE   LYS  39          2HE       LYS  39   3.268 -16.062   3.833
  337   2HE   LYS  39          1HE       LYS  39   2.060 -17.152   4.540
  338   1HZ   LYS  39          1HZ       LYS  39   3.105 -17.230   1.756
  339   2HZ   LYS  39          2HZ       LYS  39   1.826 -18.192   2.328
  340   3HZ   LYS  39          3HZ       LYS  39   3.387 -18.378   2.972
  341    H    GLU  40           H        GLU  40   4.930 -12.234   4.252
  342    HA   GLU  40           HA       GLU  40   4.661 -11.796   7.184
  343   1HB   GLU  40          2HB       GLU  40   4.764 -14.309   6.270
  344   2HB   GLU  40          1HB       GLU  40   6.490 -13.958   6.195
  345   1HG   GLU  40          2HG       GLU  40   6.692 -14.151   8.430
  346   2HG   GLU  40          1HG       GLU  40   5.374 -13.011   8.698
  347    H    ARG  41           H        ARG  41   7.354 -12.094   7.845
  348    HA   ARG  41           HA       ARG  41   8.556  -9.727   6.658
  349   1HB   ARG  41          2HB       ARG  41   9.364 -11.864   8.633
  350   2HB   ARG  41          1HB       ARG  41  10.523 -10.640   8.114
  351   1HG   ARG  41          2HG       ARG  41   9.632  -9.210   9.607
  352   2HG   ARG  41          1HG       ARG  41   8.120  -9.258   8.703
  353   1HD   ARG  41          2HD       ARG  41   7.286 -10.067  10.684
  354   2HD   ARG  41          1HD       ARG  41   7.943 -11.604  10.100
  355    HE   ARG  41           HE       ARG  41   9.290  -9.776  12.034
  356   1HH1  ARG  41          1HH2      ARG  41   9.182 -12.798  10.290
  357   2HH1  ARG  41          2HH2      ARG  41  10.417 -13.524  11.252
  358   1HH2  ARG  41          1HH1      ARG  41  10.896 -10.748  13.270
  359   2HH2  ARG  41          2HH1      ARG  41  11.383 -12.375  12.929
  360    HA   PRO  42           HA       PRO  42  10.212 -12.251   3.319
  361   1HB   PRO  42          2HB       PRO  42  10.925 -10.177   1.706
  362   2HB   PRO  42          1HB       PRO  42   9.265 -10.783   1.833
  363   1HG   PRO  42          2HG       PRO  42  10.478  -8.348   2.993
  364   2HG   PRO  42          1HG       PRO  42   8.819  -8.636   2.450
  365   1HD   PRO  42          2HD       PRO  42   9.683  -8.630   5.095
  366   2HD   PRO  42          1HD       PRO  42   8.161  -9.326   4.503
  367    H    GLU  43           H        GLU  43  12.277 -12.967   3.027
  368    HA   GLU  43           HA       GLU  43  14.646 -11.341   3.068
  369   1HB   GLU  43          2HB       GLU  43  14.265 -11.067   5.409
  370   2HB   GLU  43          1HB       GLU  43  13.772 -12.747   5.605
  371   1HG   GLU  43          2HG       GLU  43  16.019 -12.478   6.501
  372   2HG   GLU  43          1HG       GLU  43  16.110 -13.448   5.033
  373    H    ALA  44           H        ALA  44  13.498 -14.564   4.106
  374    HA   ALA  44           HA       ALA  44  14.093 -16.734   3.398
  375   1HB   ALA  44          1HB       ALA  44  15.555 -15.735   1.025
  376   2HB   ALA  44          2HB       ALA  44  13.895 -15.162   1.171
  377   3HB   ALA  44          3HB       ALA  44  14.229 -16.892   1.121
  378    HA   PRO  45           HA       PRO  45  18.247 -17.301   4.730
  379   1HB   PRO  45          2HB       PRO  45  18.841 -19.752   3.660
  380   2HB   PRO  45          1HB       PRO  45  17.750 -19.537   5.044
  381   1HG   PRO  45          2HG       PRO  45  17.106 -20.017   2.182
  382   2HG   PRO  45          1HG       PRO  45  16.304 -20.624   3.638
  383   1HD   PRO  45          2HD       PRO  45  15.353 -18.553   2.121
  384   2HD   PRO  45          1HD       PRO  45  15.000 -18.761   3.851
  385    H    ASP  46           H        ASP  46  17.738 -18.137   1.280
  386    HA   ASP  46           HA       ASP  46  19.918 -16.367   0.441
  387   1HB   ASP  46          2HB       ASP  46  20.817 -18.682   1.336
  388   2HB   ASP  46          1HB       ASP  46  20.256 -19.287  -0.223
  389    H    GLN  47           H        GLN  47  17.320 -16.137  -0.312
  390    HA   GLN  47           HA       GLN  47  17.371 -16.473  -3.182
  391   1HB   GLN  47          2HB       GLN  47  16.947 -18.803  -2.543
  392   2HB   GLN  47          1HB       GLN  47  15.610 -18.300  -1.507
  393   1HG   GLN  47          2HG       GLN  47  15.203 -17.190  -4.123
  394   2HG   GLN  47          1HG       GLN  47  15.525 -18.915  -4.290
  395   1HE2  GLN  47          1HE2      GLN  47  14.287 -20.162  -2.251
  396   2HE2  GLN  47          2HE2      GLN  47  12.644 -19.747  -2.142
  397    H    THR  48           H        THR  48  16.585 -14.386  -3.415
  398    HA   THR  48           HA       THR  48  14.621 -13.129  -1.757
  399    HB   THR  48           HB       THR  48  16.147 -11.886  -3.184
  400    HG1  THR  48           1HG      THR  48  14.164 -10.885  -2.880
  401   1HG2  THR  48          1HG2      THR  48  15.396 -13.876  -5.091
  402   2HG2  THR  48          2HG2      THR  48  16.663 -12.658  -5.222
  403   3HG2  THR  48          3HG2      THR  48  15.026 -12.293  -5.770
  404    H    LEU  49           H        LEU  49  12.455 -13.408  -1.698
  405    HA   LEU  49           HA       LEU  49  11.128 -15.120  -3.741
  406   1HB   LEU  49          2HB       LEU  49  10.384 -14.153  -0.962
  407   2HB   LEU  49          1HB       LEU  49   9.342 -15.175  -1.949
  408    HG   LEU  49           HG       LEU  49  12.076 -16.203  -1.781
  409   1HD1  LEU  49          1HD1      LEU  49  11.941 -16.899   0.576
  410   2HD1  LEU  49          2HD1      LEU  49  10.436 -16.000   0.764
  411   3HD1  LEU  49          3HD1      LEU  49  11.944 -15.139   0.454
  412   1HD2  LEU  49          1HD2      LEU  49   9.324 -17.295  -1.113
  413   2HD2  LEU  49          2HD2      LEU  49  10.799 -18.260  -1.131
  414   3HD2  LEU  49          3HD2      LEU  49  10.208 -17.525  -2.621
  415    HA   PRO  50           HA       PRO  50   8.896 -11.734  -5.458
  416   1HB   PRO  50          2HB       PRO  50   6.533 -12.940  -6.133
  417   2HB   PRO  50          1HB       PRO  50   8.049 -13.219  -7.012
  418   1HG   PRO  50          2HG       PRO  50   6.707 -14.913  -4.969
  419   2HG   PRO  50          1HG       PRO  50   7.587 -15.387  -6.430
  420   1HD   PRO  50          2HD       PRO  50   8.639 -15.512  -3.910
  421   2HD   PRO  50          1HD       PRO  50   9.614 -15.328  -5.383
  422    HA   PRO  51           HA       PRO  51   6.350 -10.031  -2.281
  423   1HB   PRO  51          2HB       PRO  51   4.942  -8.171  -3.718
  424   2HB   PRO  51          1HB       PRO  51   6.653  -7.973  -3.287
  425   1HG   PRO  51          2HG       PRO  51   5.440  -8.851  -5.861
  426   2HG   PRO  51          1HG       PRO  51   6.833  -7.796  -5.571
  427   1HD   PRO  51          2HD       PRO  51   7.065 -10.407  -6.296
  428   2HD   PRO  51          1HD       PRO  51   8.278  -9.555  -5.316
  429    H    LEU  52           H        LEU  52   4.142 -10.043  -1.508
  430    HA   LEU  52           HA       LEU  52   2.368 -11.929  -2.992
  431   1HB   LEU  52          2HB       LEU  52   3.134 -12.309  -0.616
  432   2HB   LEU  52          1HB       LEU  52   2.219 -10.876  -0.150
  433    HG   LEU  52           HG       LEU  52   0.449 -12.452  -1.690
  434   1HD1  LEU  52          1HD1      LEU  52   2.026 -14.072   0.330
  435   2HD1  LEU  52          2HD1      LEU  52   1.869 -14.396  -1.397
  436   3HD1  LEU  52          3HD1      LEU  52   0.471 -14.572  -0.337
  437   1HD2  LEU  52          1HD2      LEU  52  -0.857 -12.441   0.308
  438   2HD2  LEU  52          2HD2      LEU  52   0.087 -10.953   0.363
  439   3HD2  LEU  52          3HD2      LEU  52   0.576 -12.344   1.332
  440    H    ASN  53           H        ASN  53   2.474  -8.614  -1.741
  441    HA   ASN  53           HA       ASN  53  -0.148  -8.074  -3.093
  442   1HB   ASN  53          2HB       ASN  53  -0.081  -8.400  -0.497
  443   2HB   ASN  53          1HB       ASN  53   0.679  -6.808  -0.483
  444   1HD2  ASN  53          1HD2      ASN  53  -0.611  -4.968  -1.274
  445   2HD2  ASN  53          2HD2      ASN  53  -2.297  -5.086  -1.408
  446    H    ASN  54           H        ASN  54  -0.041  -6.243  -4.399
  447    HA   ASN  54           HA       ASN  54   2.289  -4.397  -3.982
  448   1HB   ASN  54          2HB       ASN  54   2.521  -4.284  -6.373
  449   2HB   ASN  54          1HB       ASN  54   2.356  -5.990  -5.968
  450   1HD2  ASN  54          1HD2      ASN  54   0.361  -7.079  -6.586
  451   2HD2  ASN  54          2HD2      ASN  54  -0.759  -6.360  -7.637
  452    H    PHE  55           H        PHE  55   1.842  -2.205  -3.992
  453    HA   PHE  55           HA       PHE  55  -0.920  -1.309  -4.742
  454   1HB   PHE  55          2HB       PHE  55   0.329  -1.499  -2.128
  455   2HB   PHE  55          1HB       PHE  55  -0.079   0.175  -2.494
  456    HD1  PHE  55           1HD      PHE  55  -1.465  -3.275  -2.293
  457    HD2  PHE  55           2HD      PHE  55  -2.342   0.924  -2.497
  458    HE1  PHE  55           1HE      PHE  55  -3.845  -3.746  -1.773
  459    HE2  PHE  55           2HE      PHE  55  -4.719   0.451  -1.977
  460    HZ   PHE  55           HZ       PHE  55  -5.470  -1.881  -1.615
  461    H    SER  56           H        SER  56  -0.826   0.550  -5.994
  462    HA   SER  56           HA       SER  56   1.677   2.203  -5.871
  463   1HB   SER  56          2HB       SER  56   0.864   0.549  -7.933
  464   2HB   SER  56          1HB       SER  56   0.239   2.116  -8.439
  465    HG   SER  56           HG       SER  56   2.853   1.230  -8.135
  466    H    VAL  57           H        VAL  57   1.255   4.333  -5.452
  467    HA   VAL  57           HA       VAL  57  -1.477   5.401  -6.081
  468    HB   VAL  57           HB       VAL  57  -1.109   4.757  -3.684
  469   1HG1  VAL  57          1HG1      VAL  57   0.975   6.962  -3.789
  470   2HG1  VAL  57          2HG1      VAL  57   1.301   5.244  -3.560
  471   3HG1  VAL  57          3HG1      VAL  57   0.422   6.145  -2.327
  472   1HG2  VAL  57          1HG2      VAL  57  -2.160   6.679  -2.809
  473   2HG2  VAL  57          2HG2      VAL  57  -2.557   6.740  -4.525
  474   3HG2  VAL  57          3HG2      VAL  57  -1.274   7.763  -3.881
  475    H    ALA  58           H        ALA  58   1.238   5.674  -7.473
  476    HA   ALA  58           HA       ALA  58   2.128   8.428  -7.036
  477   1HB   ALA  58          1HB       ALA  58   3.168   7.776  -9.410
  478   2HB   ALA  58          2HB       ALA  58   2.648   6.161  -8.933
  479   3HB   ALA  58          3HB       ALA  58   3.786   7.054  -7.925
  480    H    GLU  59           H        GLU  59   0.757   6.933  -9.996
  481    HA   GLU  59           HA       GLU  59  -0.620   9.520 -10.600
  482   1HB   GLU  59          2HB       GLU  59   1.059   7.895 -12.073
  483   2HB   GLU  59          1HB       GLU  59  -0.531   7.366 -12.622
  484   1HG   GLU  59          2HG       GLU  59  -1.134   9.726 -13.097
  485   2HG   GLU  59          1HG       GLU  59   0.482  10.226 -12.596
  486    H    CYS  60           H        CYS  60  -1.655   7.536  -8.644
  487    HA   CYS  60           HA       CYS  60  -4.149   6.662 -10.069
  488   1HB   CYS  60          2HB       CYS  60  -2.237   5.353  -8.247
  489   2HB   CYS  60          1HB       CYS  60  -3.922   5.118  -7.788
  490    H    GLN  61           H        GLN  61  -5.806   6.138  -8.010
  491    HA   GLN  61           HA       GLN  61  -5.880   8.651  -6.368
  492   1HB   GLN  61          2HB       GLN  61  -7.491   8.861  -8.110
  493   2HB   GLN  61          1HB       GLN  61  -7.982   7.174  -7.966
  494   1HG   GLN  61          2HG       GLN  61  -8.324   8.626  -5.454
  495   2HG   GLN  61          1HG       GLN  61  -9.241   9.356  -6.773
  496   1HE2  GLN  61          1HE2      GLN  61  -9.435   6.955  -4.421
  497   2HE2  GLN  61          2HE2      GLN  61 -10.627   5.987  -5.140
  498    H    LEU  62           H        LEU  62  -6.071   8.267  -4.189
  499    HA   LEU  62           HA       LEU  62  -7.047   5.570  -3.291
  500   1HB   LEU  62          2HB       LEU  62  -4.524   6.116  -3.196
  501   2HB   LEU  62          1HB       LEU  62  -4.943   7.251  -1.912
  502    HG   LEU  62           HG       LEU  62  -6.220   4.673  -1.481
  503   1HD1  LEU  62          1HD1      LEU  62  -4.096   3.458  -0.928
  504   2HD1  LEU  62          2HD1      LEU  62  -3.198   4.746  -1.731
  505   3HD1  LEU  62          3HD1      LEU  62  -4.308   3.736  -2.656
  506   1HD2  LEU  62          1HD2      LEU  62  -4.801   4.955   0.676
  507   2HD2  LEU  62          2HD2      LEU  62  -6.045   6.160   0.348
  508   3HD2  LEU  62          3HD2      LEU  62  -4.354   6.524   0.004
  509    H    MET  63           H        MET  63  -8.544   5.616  -1.622
  510    HA   MET  63           HA       MET  63  -9.077   8.233  -0.264
  511   1HB   MET  63          2HB       MET  63 -11.426   7.977  -0.729
  512   2HB   MET  63          1HB       MET  63 -10.582   7.701  -2.251
  513   1HG   MET  63          2HG       MET  63 -10.611   5.173  -1.388
  514   2HG   MET  63          1HG       MET  63 -12.019   5.751  -0.496
  515   1HE   MET  63          1HE       MET  63 -11.364   4.320  -4.433
  516   2HE   MET  63          2HE       MET  63 -12.579   3.503  -3.456
  517   3HE   MET  63          3HE       MET  63 -11.000   3.865  -2.764
  518    H    LYS  64           H        LYS  64  -9.938   8.025   1.876
  519    HA   LYS  64           HA       LYS  64  -9.391   5.407   3.165
  520   1HB   LYS  64          2HB       LYS  64  -9.479   6.722   5.219
  521   2HB   LYS  64          1HB       LYS  64  -8.521   7.605   4.033
  522   1HG   LYS  64          2HG       LYS  64  -9.886   9.367   4.374
  523   2HG   LYS  64          1HG       LYS  64 -11.164   8.445   3.585
  524   1HD   LYS  64          2HD       LYS  64 -12.274   8.212   5.529
  525   2HD   LYS  64          1HD       LYS  64 -10.844   7.548   6.315
  526   1HE   LYS  64          2HE       LYS  64 -11.169   9.497   7.571
  527   2HE   LYS  64          1HE       LYS  64 -10.068  10.099   6.317
  528   1HZ   LYS  64          1HZ       LYS  64 -13.040  10.166   6.173
  529   2HZ   LYS  64          2HZ       LYS  64 -11.973  10.752   4.986
  530   3HZ   LYS  64          3HZ       LYS  64 -12.050  11.500   6.509
  531    H    THR  65           H        THR  65 -11.013   4.378   4.540
  532    HA   THR  65           HA       THR  65 -13.809   5.347   4.341
  533    HB   THR  65           HB       THR  65 -13.291   4.047   2.266
  534    HG1  THR  65           1HG      THR  65 -15.151   2.890   2.380
  535   1HG2  THR  65          1HG2      THR  65 -13.111   1.511   2.641
  536   2HG2  THR  65          2HG2      THR  65 -12.680   1.903   4.304
  537   3HG2  THR  65          3HG2      THR  65 -11.667   2.466   2.976
  538    H    GLU  66           H        GLU  66 -15.293   3.838   5.612
  539    HA   GLU  66           HA       GLU  66 -13.820   2.695   7.964
  540   1HB   GLU  66          2HB       GLU  66 -15.749   3.403   9.266
  541   2HB   GLU  66          1HB       GLU  66 -15.216   4.763   8.280
  542   1HG   GLU  66          2HG       GLU  66 -16.978   3.644   6.562
  543   2HG   GLU  66          1HG       GLU  66 -17.705   3.144   8.088
  544    H    ARG  67           H        ARG  67 -14.848   1.367   5.321
  545    HA   ARG  67           HA       ARG  67 -16.230  -0.882   6.712
  546   1HB   ARG  67          2HB       ARG  67 -17.923  -0.953   5.001
  547   2HB   ARG  67          1HB       ARG  67 -17.819   0.717   5.552
  548   1HG   ARG  67          2HG       ARG  67 -15.924   0.454   3.464
  549   2HG   ARG  67          1HG       ARG  67 -17.395  -0.339   2.903
  550   1HD   ARG  67          2HD       ARG  67 -17.402   2.426   4.156
  551   2HD   ARG  67          1HD       ARG  67 -17.292   2.158   2.407
  552    HE   ARG  67           HE       ARG  67 -19.652   1.642   4.085
  553   1HH1  ARG  67          1HH2      ARG  67 -17.981   0.991   1.099
  554   2HH1  ARG  67          2HH2      ARG  67 -19.418   0.518   0.263
  555   1HH2  ARG  67          1HH1      ARG  67 -21.516   1.021   2.978
  556   2HH2  ARG  67          2HH1      ARG  67 -21.410   0.534   1.320
  557    HA   PRO  68           HA       PRO  68 -17.137  -2.764   5.959
  558   1HB   PRO  68          2HB       PRO  68 -16.216  -5.212   6.774
  559   2HB   PRO  68          1HB       PRO  68 -16.914  -4.922   5.169
  560   1HG   PRO  68          2HG       PRO  68 -14.057  -5.118   5.980
  561   2HG   PRO  68          1HG       PRO  68 -14.863  -5.737   4.530
  562   1HD   PRO  68          2HD       PRO  68 -13.359  -3.470   4.546
  563   2HD   PRO  68          1HD       PRO  68 -14.720  -3.729   3.433
  564    H    ARG  69           H        ARG  69 -13.829  -2.458   7.013
  565    HA   ARG  69           HA       ARG  69 -14.726  -2.367   9.879
  566   1HB   ARG  69          2HB       ARG  69 -11.974  -2.953   8.724
  567   2HB   ARG  69          1HB       ARG  69 -12.438  -3.071  10.419
  568   1HG   ARG  69          2HG       ARG  69 -13.736  -4.707   8.220
  569   2HG   ARG  69          1HG       ARG  69 -12.385  -5.285   9.193
  570   1HD   ARG  69          2HD       ARG  69 -13.834  -4.731  11.251
  571   2HD   ARG  69          1HD       ARG  69 -15.190  -4.615  10.111
  572    HE   ARG  69           HE       ARG  69 -13.942  -7.002   9.424
  573   1HH1  ARG  69          1HH2      ARG  69 -15.286  -5.633  12.328
  574   2HH1  ARG  69          2HH2      ARG  69 -15.717  -7.167  12.994
  575   1HH2  ARG  69          1HH1      ARG  69 -14.511  -9.004  10.312
  576   2HH2  ARG  69          2HH1      ARG  69 -15.276  -9.069  11.864
  577    HA   PRO  70           HA       PRO  70 -13.476   1.853   9.968
  578   1HB   PRO  70          2HB       PRO  70 -12.283   2.076  12.428
  579   2HB   PRO  70          1HB       PRO  70 -14.039   1.922  12.209
  580   1HG   PRO  70          2HG       PRO  70 -12.034  -0.164  12.930
  581   2HG   PRO  70          1HG       PRO  70 -13.661   0.107  13.577
  582   1HD   PRO  70          2HD       PRO  70 -13.125  -1.819  11.757
  583   2HD   PRO  70          1HD       PRO  70 -14.686  -0.968  11.818
  584    H    ASN  71           H        ASN  71 -11.561   3.282   9.924
  585    HA   ASN  71           HA       ASN  71  -9.351   3.793   9.280
  586   1HB   ASN  71          2HB       ASN  71  -9.275   1.690  11.356
  587   2HB   ASN  71          1HB       ASN  71  -7.804   1.802  10.395
  588   1HD2  ASN  71          1HD2      ASN  71  -9.577   3.285  12.963
  589   2HD2  ASN  71          2HD2      ASN  71  -8.603   4.663  13.130
  590    H    THR  72           H        THR  72 -10.448   2.864   7.109
  591    HA   THR  72           HA       THR  72  -8.701   0.621   6.136
  592    HB   THR  72           HB       THR  72 -11.602   1.309   5.613
  593    HG1  THR  72           1HG      THR  72 -11.900  -0.243   6.977
  594   1HG2  THR  72          1HG2      THR  72 -10.840   0.638   3.475
  595   2HG2  THR  72          2HG2      THR  72 -11.463  -0.847   4.192
  596   3HG2  THR  72          3HG2      THR  72  -9.726  -0.548   4.152
  597    H    PHE  73           H        PHE  73  -7.950   0.779   3.980
  598    HA   PHE  73           HA       PHE  73  -8.168   3.500   2.718
  599   1HB   PHE  73          2HB       PHE  73  -5.944   1.704   3.458
  600   2HB   PHE  73          1HB       PHE  73  -5.819   2.354   1.827
  601    HD1  PHE  73           1HD      PHE  73  -3.790   3.611   2.527
  602    HD2  PHE  73           2HD      PHE  73  -7.620   4.330   4.335
  603    HE1  PHE  73           1HE      PHE  73  -2.957   5.754   3.451
  604    HE2  PHE  73           2HE      PHE  73  -6.785   6.472   5.255
  605    HZ   PHE  73           HZ       PHE  73  -4.454   7.182   4.813
  606    H    VAL  74           H        VAL  74  -8.973   3.485   0.647
  607    HA   VAL  74           HA       VAL  74  -8.952   0.894  -0.878
  608    HB   VAL  74           HB       VAL  74 -11.088   3.056  -0.768
  609   1HG1  VAL  74          1HG1      VAL  74 -10.965   1.869  -2.937
  610   2HG1  VAL  74          2HG1      VAL  74 -12.436   1.452  -2.059
  611   3HG1  VAL  74          3HG1      VAL  74 -11.081   0.326  -2.091
  612   1HG2  VAL  74          1HG2      VAL  74 -11.659   0.292   0.140
  613   2HG2  VAL  74          2HG2      VAL  74 -12.191   1.830   0.817
  614   3HG2  VAL  74          3HG2      VAL  74 -10.580   1.218   1.184
  615    H    ILE  75           H        ILE  75  -8.457   1.083  -3.105
  616    HA   ILE  75           HA       ILE  75  -7.921   3.843  -4.144
  617    HB   ILE  75           HB       ILE  75  -5.801   2.996  -3.431
  618   1HG1  ILE  75          2HG1      ILE  75  -5.512   2.055  -6.220
  619   2HG1  ILE  75          1HG1      ILE  75  -6.274   3.636  -6.051
  620   1HG2  ILE  75          1HG2      ILE  75  -6.341   0.669  -3.069
  621   2HG2  ILE  75          2HG2      ILE  75  -4.987   0.738  -4.196
  622   3HG2  ILE  75          3HG2      ILE  75  -6.614   0.413  -4.792
  623   1HD1  ILE  75          1HD1      ILE  75  -3.677   2.878  -4.688
  624   2HD1  ILE  75          2HD1      ILE  75  -4.401   4.484  -4.788
  625   3HD1  ILE  75          3HD1      ILE  75  -3.758   3.714  -6.238
  626    H    ARG  76           H        ARG  76  -9.311   4.062  -5.844
  627    HA   ARG  76           HA       ARG  76 -10.225   1.739  -7.402
  628   1HB   ARG  76          2HB       ARG  76 -10.742   4.723  -7.406
  629   2HB   ARG  76          1HB       ARG  76 -11.440   3.664  -8.629
  630   1HG   ARG  76          2HG       ARG  76 -11.808   2.554  -5.972
  631   2HG   ARG  76          1HG       ARG  76 -12.476   4.182  -6.072
  632   1HD   ARG  76          2HD       ARG  76 -13.605   3.431  -8.257
  633   2HD   ARG  76          1HD       ARG  76 -13.176   1.779  -7.775
  634    HE   ARG  76           HE       ARG  76 -14.735   1.919  -5.994
  635   1HH1  ARG  76          1HH2      ARG  76 -14.132   5.053  -7.395
  636   2HH1  ARG  76          2HH2      ARG  76 -15.432   5.812  -6.544
  637   1HH2  ARG  76          1HH1      ARG  76 -16.425   2.927  -4.895
  638   2HH2  ARG  76          2HH1      ARG  76 -16.730   4.615  -5.138
  639    H    CYS  77           H        CYS  77  -9.258   4.855  -8.812
  640    HA   CYS  77           HA       CYS  77  -7.745   5.403 -10.528
  641   1HB   CYS  77          2HB       CYS  77  -6.309   3.990  -8.851
  642   2HB   CYS  77          1HB       CYS  77  -6.412   2.739 -10.089
  643    H    LEU  78           H        LEU  78  -8.157   5.287 -12.685
  644    HA   LEU  78           HA       LEU  78  -8.885   4.472 -14.771
  645   1HB   LEU  78          2HB       LEU  78  -6.939   2.796 -13.706
  646   2HB   LEU  78          1HB       LEU  78  -8.219   1.674 -14.163
  647    HG   LEU  78           HG       LEU  78  -6.696   1.983 -16.047
  648   1HD1  LEU  78          1HD1      LEU  78  -9.225   1.829 -16.390
  649   2HD1  LEU  78          2HD1      LEU  78  -8.303   2.507 -17.731
  650   3HD1  LEU  78          3HD1      LEU  78  -9.197   3.573 -16.650
  651   1HD2  LEU  78          1HD2      LEU  78  -6.088   4.075 -16.923
  652   2HD2  LEU  78          2HD2      LEU  78  -6.092   4.377 -15.185
  653   3HD2  LEU  78          3HD2      LEU  78  -7.458   4.895 -16.174
  654    H    GLN  79           H        GLN  79 -11.162   4.838 -14.081
  655    HA   GLN  79           HA       GLN  79 -12.633   2.348 -13.317
  656   1HB   GLN  79          2HB       GLN  79 -14.462   4.010 -12.790
  657   2HB   GLN  79          1HB       GLN  79 -12.987   4.254 -11.859
  658   1HG   GLN  79          2HG       GLN  79 -12.323   6.110 -13.222
  659   2HG   GLN  79          1HG       GLN  79 -13.556   5.750 -14.430
  660   1HE2  GLN  79          1HE2      GLN  79 -15.872   6.081 -13.741
  661   2HE2  GLN  79          2HE2      GLN  79 -16.215   7.205 -12.517
  662    H    TRP  80           H        TRP  80 -12.115   1.786 -15.738
  663    HA   TRP  80           HA       TRP  80 -13.899   3.140 -17.686
  664   1HB   TRP  80          2HB       TRP  80 -11.499   1.440 -17.674
  665   2HB   TRP  80          1HB       TRP  80 -12.653   0.995 -18.930
  666    HD1  TRP  80           HD       TRP  80 -10.874   4.160 -17.598
  667    HE1  TRP  80           1HE      TRP  80 -10.495   5.761 -19.583
  668    HE3  TRP  80           3HE      TRP  80 -13.212   1.537 -21.305
  669    HZ2  TRP  80           2HZ      TRP  80 -11.103   5.908 -22.375
  670    HZ3  TRP  80           3HZ      TRP  80 -13.298   2.430 -23.615
  671    HH2  TRP  80           HH       TRP  80 -12.247   4.611 -24.154
  672    H    THR  81           H        THR  81 -13.249  -0.319 -16.961
  673    HA   THR  81           HA       THR  81 -16.200  -0.824 -17.002
  674    HB   THR  81           HB       THR  81 -15.485  -2.922 -18.380
  675    HG1  THR  81           1HG      THR  81 -13.389  -2.962 -18.563
  676   1HG2  THR  81          1HG2      THR  81 -15.227  -0.204 -19.691
  677   2HG2  THR  81          2HG2      THR  81 -16.766  -0.934 -19.234
  678   3HG2  THR  81          3HG2      THR  81 -15.751  -1.705 -20.453
  679    H    THR  82           H        THR  82 -15.920  -1.043 -14.645
  680    HA   THR  82           HA       THR  82 -15.540  -2.262 -12.662
  681    HB   THR  82           HB       THR  82 -15.543  -4.516 -14.706
  682    HG1  THR  82           1HG      THR  82 -17.629  -3.276 -13.232
  683   1HG2  THR  82          1HG2      THR  82 -16.624  -5.672 -12.608
  684   2HG2  THR  82          2HG2      THR  82 -15.762  -4.420 -11.712
  685   3HG2  THR  82          3HG2      THR  82 -14.868  -5.551 -12.728
  686    H    VAL  83           H        VAL  83 -13.337  -1.208 -12.617
  687    HA   VAL  83           HA       VAL  83 -11.029  -2.774 -13.530
  688    HB   VAL  83           HB       VAL  83 -11.217  -0.255 -13.434
  689   1HG1  VAL  83          1HG1      VAL  83 -12.366  -0.066 -11.273
  690   2HG1  VAL  83          2HG1      VAL  83 -10.844   0.823 -11.233
  691   3HG1  VAL  83          3HG1      VAL  83 -10.965  -0.754 -10.451
  692   1HG2  VAL  83          1HG2      VAL  83  -9.028  -1.631 -13.395
  693   2HG2  VAL  83          2HG2      VAL  83  -8.949  -1.207 -11.683
  694   3HG2  VAL  83          3HG2      VAL  83  -8.932   0.062 -12.908
  695    H    ILE  84           H        ILE  84  -9.337  -3.511 -11.974
  696    HA   ILE  84           HA       ILE  84 -10.472  -5.092  -9.815
  697    HB   ILE  84           HB       ILE  84  -8.026  -5.659  -9.457
  698   1HG1  ILE  84          2HG1      ILE  84  -7.278  -4.285 -11.974
  699   2HG1  ILE  84          1HG1      ILE  84  -7.523  -3.218 -10.592
  700   1HG2  ILE  84          1HG2      ILE  84  -9.129  -5.782 -12.279
  701   2HG2  ILE  84          2HG2      ILE  84  -9.377  -6.971 -11.001
  702   3HG2  ILE  84          3HG2      ILE  84  -7.772  -6.743 -11.694
  703   1HD1  ILE  84          1HD1      ILE  84  -5.981  -4.650  -9.254
  704   2HD1  ILE  84          2HD1      ILE  84  -5.188  -3.930 -10.656
  705   3HD1  ILE  84          3HD1      ILE  84  -5.680  -5.623 -10.694
  706    H    GLU  85           H        GLU  85 -11.411  -3.424  -8.438
  707    HA   GLU  85           HA       GLU  85 -10.006  -1.226  -7.283
  708   1HB   GLU  85          2HB       GLU  85 -12.519  -2.624  -7.047
  709   2HB   GLU  85          1HB       GLU  85 -11.908  -2.250  -5.436
  710   1HG   GLU  85          2HG       GLU  85 -11.693  -0.082  -7.458
  711   2HG   GLU  85          1HG       GLU  85 -13.321  -0.480  -6.908
  712    H    ARG  86           H        ARG  86  -8.718  -1.058  -5.424
  713    HA   ARG  86           HA       ARG  86  -7.966  -3.643  -4.085
  714   1HB   ARG  86          2HB       ARG  86  -6.458  -1.741  -5.525
  715   2HB   ARG  86          1HB       ARG  86  -6.039  -1.492  -3.830
  716   1HG   ARG  86          2HG       ARG  86  -4.533  -3.167  -4.438
  717   2HG   ARG  86          1HG       ARG  86  -5.865  -4.114  -3.776
  718   1HD   ARG  86          2HD       ARG  86  -5.487  -5.213  -5.821
  719   2HD   ARG  86          1HD       ARG  86  -6.739  -4.047  -6.286
  720    HE   ARG  86           HE       ARG  86  -5.104  -2.804  -7.465
  721   1HH1  ARG  86          1HH2      ARG  86  -3.624  -5.193  -5.407
  722   2HH1  ARG  86          2HH2      ARG  86  -2.033  -4.902  -6.019
  723   1HH2  ARG  86          1HH1      ARG  86  -3.025  -2.449  -8.259
  724   2HH2  ARG  86          2HH1      ARG  86  -1.694  -3.366  -7.637
  725    H    THR  87           H        THR  87  -8.477  -3.726  -1.936
  726    HA   THR  87           HA       THR  87  -8.694  -1.149  -0.409
  727    HB   THR  87           HB       THR  87 -10.515  -3.580  -0.287
  728    HG1  THR  87           1HG      THR  87 -11.059  -2.510  -2.093
  729   1HG2  THR  87          1HG2      THR  87 -10.411  -0.973   1.220
  730   2HG2  THR  87          2HG2      THR  87 -10.555  -2.609   1.860
  731   3HG2  THR  87          3HG2      THR  87 -11.925  -1.859   1.040
  732    H    PHE  88           H        PHE  88  -7.705  -1.218   1.611
  733    HA   PHE  88           HA       PHE  88  -7.056  -3.858   2.805
  734   1HB   PHE  88          2HB       PHE  88  -4.754  -3.586   2.669
  735   2HB   PHE  88          1HB       PHE  88  -5.251  -2.803   1.174
  736    HD1  PHE  88           1HD      PHE  88  -4.669  -0.555   0.756
  737    HD2  PHE  88           2HD      PHE  88  -4.454  -2.097   4.760
  738    HE1  PHE  88           1HE      PHE  88  -3.561   1.536   1.506
  739    HE2  PHE  88           2HE      PHE  88  -3.359  -0.006   5.505
  740    HZ   PHE  88           HZ       PHE  88  -2.904   1.806   3.886
  741    H    HIS  89           H        HIS  89  -6.591  -3.720   5.081
  742    HA   HIS  89           HA       HIS  89  -7.636  -1.227   6.373
  743   1HB   HIS  89          2HB       HIS  89  -7.443  -4.140   7.207
  744   2HB   HIS  89          1HB       HIS  89  -7.996  -2.863   8.288
  745    HD1  HIS  89           1HD      HIS  89 -10.269  -4.413   8.169
  746    HD2  HIS  89           2HD      HIS  89  -9.317  -2.218   4.757
  747    HE1  HIS  89           1HE      HIS  89 -12.384  -4.286   6.781
  748    H    VAL  90           H        VAL  90  -6.480  -0.427   8.279
  749    HA   VAL  90           HA       VAL  90  -3.566  -1.047   8.181
  750    HB   VAL  90           HB       VAL  90  -3.413   1.039   9.562
  751   1HG1  VAL  90          1HG1      VAL  90  -4.440   2.534   7.714
  752   2HG1  VAL  90          2HG1      VAL  90  -4.876   1.019   6.927
  753   3HG1  VAL  90          3HG1      VAL  90  -3.182   1.392   7.246
  754   1HG2  VAL  90          1HG2      VAL  90  -6.087   0.505  10.142
  755   2HG2  VAL  90          2HG2      VAL  90  -6.167   1.874   9.033
  756   3HG2  VAL  90          3HG2      VAL  90  -5.225   1.996  10.519
  757    H    ASP  91           H        ASP  91  -2.385  -1.466  10.170
  758    HA   ASP  91           HA       ASP  91  -3.759  -3.291  11.972
  759   1HB   ASP  91          2HB       ASP  91  -1.029  -2.287  11.417
  760   2HB   ASP  91          1HB       ASP  91  -1.304  -2.812  13.078
  761    H    SER  92           H        SER  92  -2.945   0.131  12.078
  762    HA   SER  92           HA       SER  92  -4.385   0.379  14.661
  763   1HB   SER  92          2HB       SER  92  -2.419   1.754  15.523
  764   2HB   SER  92          1HB       SER  92  -2.110   0.027  15.371
  765    HG   SER  92           HG       SER  92  -0.736   1.961  14.304
  766    HA   PRO  93           HA       PRO  93  -5.811   4.144  12.891
  767   1HB   PRO  93          2HB       PRO  93  -5.789   5.880  15.022
  768   2HB   PRO  93          1HB       PRO  93  -6.996   4.591  14.825
  769   1HG   PRO  93          2HG       PRO  93  -4.517   4.617  16.490
  770   2HG   PRO  93          1HG       PRO  93  -6.137   4.021  16.892
  771   1HD   PRO  93          2HD       PRO  93  -4.151   2.353  16.183
  772   2HD   PRO  93          1HD       PRO  93  -5.844   2.041  15.732
  773    H    ASP  94           H        ASP  94  -2.918   4.515  14.948
  774    HA   ASP  94           HA       ASP  94  -1.980   6.983  13.825
  775   1HB   ASP  94          2HB       ASP  94  -0.986   4.752  15.505
  776   2HB   ASP  94          1HB       ASP  94   0.267   5.643  14.641
  777    H    GLU  95           H        GLU  95  -1.669   3.601  12.794
  778    HA   GLU  95           HA       GLU  95   0.413   4.013  10.838
  779   1HB   GLU  95          2HB       GLU  95  -1.449   1.931  11.733
  780   2HB   GLU  95          1HB       GLU  95  -1.145   1.864   9.997
  781   1HG   GLU  95          2HG       GLU  95   1.370   2.190  10.735
  782   2HG   GLU  95          1HG       GLU  95   0.786   1.549  12.269
  783    H    ARG  96           H        ARG  96  -3.173   3.839  10.514
  784    HA   ARG  96           HA       ARG  96  -3.330   4.281   7.714
  785   1HB   ARG  96          2HB       ARG  96  -5.117   3.722   9.518
  786   2HB   ARG  96          1HB       ARG  96  -5.244   5.468   9.725
  787   1HG   ARG  96          2HG       ARG  96  -5.337   5.247   6.994
  788   2HG   ARG  96          1HG       ARG  96  -6.158   3.766   7.487
  789   1HD   ARG  96          2HD       ARG  96  -7.873   5.446   7.329
  790   2HD   ARG  96          1HD       ARG  96  -7.555   5.254   9.064
  791    HE   ARG  96           HE       ARG  96  -5.854   7.260   7.767
  792   1HH1  ARG  96          1HH2      ARG  96  -8.886   6.626   9.357
  793   2HH1  ARG  96          2HH2      ARG  96  -9.057   8.248   9.934
  794   1HH2  ARG  96          1HH1      ARG  96  -6.092   9.367   8.523
  795   2HH2  ARG  96          2HH1      ARG  96  -7.485   9.797   9.458
  796    H    GLU  97           H        GLU  97  -3.053   6.630  10.388
  797    HA   GLU  97           HA       GLU  97  -3.300   9.007   8.759
  798   1HB   GLU  97          2HB       GLU  97  -3.415   8.524  11.366
  799   2HB   GLU  97          1HB       GLU  97  -1.683   8.856  11.292
  800   1HG   GLU  97          2HG       GLU  97  -2.603  10.979  11.713
  801   2HG   GLU  97          1HG       GLU  97  -2.379  10.987   9.965
  802    H    GLU  98           H        GLU  98  -0.542   7.012   9.811
  803    HA   GLU  98           HA       GLU  98   1.536   8.750   8.810
  804   1HB   GLU  98          2HB       GLU  98   1.321   5.806   9.492
  805   2HB   GLU  98          1HB       GLU  98   2.838   6.538   8.971
  806   1HG   GLU  98          2HG       GLU  98   1.315   7.876  11.170
  807   2HG   GLU  98          1HG       GLU  98   2.201   6.401  11.552
  808    H    TRP  99           H        TRP  99  -0.317   6.061   7.375
  809    HA   TRP  99           HA       TRP  99   1.238   5.821   4.962
  810   1HB   TRP  99          2HB       TRP  99  -1.675   5.219   5.587
  811   2HB   TRP  99          1HB       TRP  99  -0.823   4.646   4.154
  812    HD1  TRP  99           HD       TRP  99  -1.932   3.215   7.116
  813    HE1  TRP  99           1HE      TRP  99  -0.370   1.413   8.074
  814    HE3  TRP  99           3HE      TRP  99   2.347   4.294   4.538
  815    HZ2  TRP  99           2HZ      TRP  99   2.330   0.529   7.779
  816    HZ3  TRP  99           3HZ      TRP  99   4.398   2.951   4.899
  817    HH2  TRP  99           HH       TRP  99   4.394   1.070   6.518
  818    H    MET 100           H        MET 100  -1.773   7.646   5.692
  819    HA   MET 100           HA       MET 100  -2.177   8.778   3.109
  820   1HB   MET 100          2HB       MET 100  -3.215   8.981   5.754
  821   2HB   MET 100          1HB       MET 100  -2.860  10.624   5.220
  822   1HG   MET 100          2HG       MET 100  -4.230   8.811   3.281
  823   2HG   MET 100          1HG       MET 100  -5.180   9.433   4.630
  824   1HE   MET 100          1HE       MET 100  -3.633  11.515   0.942
  825   2HE   MET 100          2HE       MET 100  -4.671  10.095   1.043
  826   3HE   MET 100          3HE       MET 100  -3.023  10.018   1.660
  827    H    ARG 101           H        ARG 101  -0.303  10.030   5.898
  828    HA   ARG 101           HA       ARG 101   0.569  12.462   4.625
  829   1HB   ARG 101          2HB       ARG 101   0.546  11.783   7.098
  830   2HB   ARG 101          1HB       ARG 101   2.013  10.865   6.757
  831   1HG   ARG 101          2HG       ARG 101   2.817  12.955   7.508
  832   2HG   ARG 101          1HG       ARG 101   2.926  13.067   5.752
  833   1HD   ARG 101          2HD       ARG 101   0.987  14.438   5.603
  834   2HD   ARG 101          1HD       ARG 101   0.480  14.035   7.257
  835    HE   ARG 101           HE       ARG 101   3.056  15.140   7.491
  836   1HH1  ARG 101          1HH2      ARG 101  -0.072  16.120   6.326
  837   2HH1  ARG 101          2HH2      ARG 101   0.174  17.787   6.716
  838   1HH2  ARG 101          1HH1      ARG 101   3.365  17.317   7.992
  839   2HH2  ARG 101          2HH1      ARG 101   2.113  18.464   7.654
  840    H    ALA 102           H        ALA 102   2.071   9.229   4.927
  841    HA   ALA 102           HA       ALA 102   4.537   9.876   3.591
  842   1HB   ALA 102          1HB       ALA 102   4.706   7.400   3.440
  843   2HB   ALA 102          2HB       ALA 102   3.002   7.270   3.880
  844   3HB   ALA 102          3HB       ALA 102   4.165   7.914   5.039
  845    H    ILE 103           H        ILE 103   1.438   8.535   2.410
  846    HA   ILE 103           HA       ILE 103   2.212   8.070  -0.304
  847    HB   ILE 103           HB       ILE 103  -0.397   8.710   1.101
  848   1HG1  ILE 103          2HG1      ILE 103   0.380   6.131  -0.247
  849   2HG1  ILE 103          1HG1      ILE 103   0.981   6.499   1.368
  850   1HG2  ILE 103          1HG2      ILE 103  -0.953   9.393  -1.065
  851   2HG2  ILE 103          2HG2      ILE 103  -1.354   7.677  -1.116
  852   3HG2  ILE 103          3HG2      ILE 103   0.159   8.249  -1.819
  853   1HD1  ILE 103          1HD1      ILE 103  -1.573   7.080   1.817
  854   2HD1  ILE 103          2HD1      ILE 103  -0.993   5.419   1.918
  855   3HD1  ILE 103          3HD1      ILE 103  -1.825   5.976   0.466
  856    H    GLN 104           H        GLN 104   0.825  10.946   1.297
  857    HA   GLN 104           HA       GLN 104   0.587  12.568  -1.069
  858   1HB   GLN 104          2HB       GLN 104  -0.455  12.796   1.280
  859   2HB   GLN 104          1HB       GLN 104   1.074  13.532   1.756
  860   1HG   GLN 104          2HG       GLN 104  -0.159  15.409   1.128
  861   2HG   GLN 104          1HG       GLN 104   0.683  15.032  -0.373
  862   1HE2  GLN 104          1HE2      GLN 104  -0.578  14.088  -2.137
  863   2HE2  GLN 104          2HE2      GLN 104  -2.273  14.070  -2.100
  864    H    MET 105           H        MET 105   3.191  12.236   1.368
  865    HA   MET 105           HA       MET 105   4.878  14.333   0.412
  866   1HB   MET 105          2HB       MET 105   5.061  13.126   2.583
  867   2HB   MET 105          1HB       MET 105   5.585  11.681   1.719
  868   1HG   MET 105          2HG       MET 105   7.459  13.146   0.740
  869   2HG   MET 105          1HG       MET 105   7.031  14.322   1.982
  870   1HE   MET 105          1HE       MET 105   7.670  10.878   1.060
  871   2HE   MET 105          2HE       MET 105   8.290  10.009   2.461
  872   3HE   MET 105          3HE       MET 105   9.377  11.012   1.504
  873    H    VAL 106           H        VAL 106   4.821  10.852  -0.441
  874    HA   VAL 106           HA       VAL 106   6.984  11.092  -2.376
  875    HB   VAL 106           HB       VAL 106   4.835   8.983  -1.945
  876   1HG1  VAL 106          1HG1      VAL 106   5.725   8.510  -4.064
  877   2HG1  VAL 106          2HG1      VAL 106   6.749   7.552  -2.996
  878   3HG1  VAL 106          3HG1      VAL 106   7.330   9.092  -3.627
  879   1HG2  VAL 106          1HG2      VAL 106   7.512   9.538  -0.705
  880   2HG2  VAL 106          2HG2      VAL 106   7.009   7.860  -0.913
  881   3HG2  VAL 106          3HG2      VAL 106   6.029   8.962   0.056
  882    H    ALA 107           H        ALA 107   3.416  10.965  -2.580
  883    HA   ALA 107           HA       ALA 107   3.149  10.971  -5.420
  884   1HB   ALA 107          1HB       ALA 107   1.432  12.154  -3.213
  885   2HB   ALA 107          2HB       ALA 107   1.320  10.519  -3.863
  886   3HB   ALA 107          3HB       ALA 107   0.886  11.899  -4.870
  887    H    ASN 108           H        ASN 108   3.618  13.663  -3.113
  888    HA   ASN 108           HA       ASN 108   3.223  15.760  -5.092
  889   1HB   ASN 108          2HB       ASN 108   4.170  15.481  -2.272
  890   2HB   ASN 108          1HB       ASN 108   4.608  16.960  -3.128
  891   1HD2  ASN 108          1HD2      ASN 108   1.803  14.999  -2.090
  892   2HD2  ASN 108          2HD2      ASN 108   0.677  16.264  -2.202
  893    H    SER 109           H        SER 109   5.940  13.748  -4.159
  894    HA   SER 109           HA       SER 109   7.979  15.512  -5.326
  895   1HB   SER 109          2HB       SER 109   7.805  12.890  -3.911
  896   2HB   SER 109          1HB       SER 109   9.222  13.159  -4.921
  897    HG   SER 109           HG       SER 109   9.189  13.909  -2.592
  898    H    LEU 110           H        LEU 110   6.317  12.476  -6.260
  899    HA   LEU 110           HA       LEU 110   7.700  12.613  -8.916
  900   1HB   LEU 110          2HB       LEU 110   7.447  10.269  -8.983
  901   2HB   LEU 110          1HB       LEU 110   7.773  10.597  -7.284
  902    HG   LEU 110           HG       LEU 110   5.015  10.831  -7.415
  903   1HD1  LEU 110          1HD1      LEU 110   4.133   9.504  -9.019
  904   2HD1  LEU 110          2HD1      LEU 110   5.316   8.229  -8.724
  905   3HD1  LEU 110          3HD1      LEU 110   5.717   9.574  -9.791
  906   1HD2  LEU 110          1HD2      LEU 110   6.678   8.363  -6.813
  907   2HD2  LEU 110          2HD2      LEU 110   5.023   8.639  -6.269
  908   3HD2  LEU 110          3HD2      LEU 110   6.329   9.668  -5.680
  909    H    LYS 111           H        LYS 111   4.854  13.700  -7.653
  910    HA   LYS 111           HA       LYS 111   2.775  14.276  -8.593
  911   1HB   LYS 111          2HB       LYS 111   4.391  13.634 -11.087
  912   2HB   LYS 111          1HB       LYS 111   2.811  14.413 -11.114
  913   1HG   LYS 111          2HG       LYS 111   5.063  15.532  -9.447
  914   2HG   LYS 111          1HG       LYS 111   4.904  15.939 -11.156
  915   1HD   LYS 111          2HD       LYS 111   2.900  17.077 -10.843
  916   2HD   LYS 111          1HD       LYS 111   2.500  16.181  -9.378
  917   1HE   LYS 111          2HE       LYS 111   3.841  17.518  -8.027
  918   2HE   LYS 111          1HE       LYS 111   4.939  17.937  -9.358
  919   1HZ   LYS 111          1HZ       LYS 111   2.097  18.796  -9.162
  920   2HZ   LYS 111          2HZ       LYS 111   3.195  19.229 -10.386
  921   3HZ   LYS 111          3HZ       LYS 111   3.430  19.779  -8.796
  Start of MODEL   19
    1   1H    MET   1          1H        MET   1  10.998   4.825 -10.643
    2   2H    MET   1          2H        MET   1  10.095   3.605 -11.402
    3   3H    MET   1          3H        MET   1  11.327   4.407 -12.254
    4    HA   MET   1           HA       MET   1  11.868   2.805  -9.809
    5   1HB   MET   1          2HB       MET   1  10.672   1.675 -11.847
    6   2HB   MET   1          1HB       MET   1  12.231   1.858 -12.651
    7   1HG   MET   1          2HG       MET   1  12.921   0.833 -10.165
    8   2HG   MET   1          1HG       MET   1  11.430  -0.024 -10.555
    9   1HE   MET   1          1HE       MET   1  15.549  -0.291 -12.281
   10   2HE   MET   1          2HE       MET   1  15.058  -0.941 -10.719
   11   3HE   MET   1          3HE       MET   1  14.868   0.780 -11.048
   12    H    ASN   2           H        ASN   2  13.175   5.114  -9.926
   13    HA   ASN   2           HA       ASN   2  15.799   4.493 -11.250
   14   1HB   ASN   2          2HB       ASN   2  14.104   6.974 -11.127
   15   2HB   ASN   2          1HB       ASN   2  15.855   7.138 -11.264
   16   1HD2  ASN   2          1HD2      ASN   2  16.874   6.430 -13.259
   17   2HD2  ASN   2          2HD2      ASN   2  15.964   6.028 -14.634
   18    H    GLU   3           H        GLU   3  16.768   3.682  -9.327
   19    HA   GLU   3           HA       GLU   3  17.797   3.774  -7.202
   20   1HB   GLU   3          2HB       GLU   3  18.435   5.995  -8.745
   21   2HB   GLU   3          1HB       GLU   3  17.952   6.709  -7.206
   22   1HG   GLU   3          2HG       GLU   3  19.640   5.629  -6.018
   23   2HG   GLU   3          1HG       GLU   3  19.793   4.339  -7.211
   24    H    VAL   4           H        VAL   4  15.266   3.357  -6.708
   25    HA   VAL   4           HA       VAL   4  14.100   5.562  -5.090
   26    HB   VAL   4           HB       VAL   4  13.069   2.822  -5.898
   27   1HG1  VAL   4          1HG1      VAL   4  12.100   4.122  -3.833
   28   2HG1  VAL   4          2HG1      VAL   4  10.993   3.436  -5.021
   29   3HG1  VAL   4          3HG1      VAL   4  11.374   5.158  -5.062
   30   1HG2  VAL   4          1HG2      VAL   4  13.285   5.381  -7.306
   31   2HG2  VAL   4          2HG2      VAL   4  11.622   4.799  -7.226
   32   3HG2  VAL   4          3HG2      VAL   4  12.877   3.787  -7.939
   33    H    SER   5           H        SER   5  14.143   5.542  -2.885
   34    HA   SER   5           HA       SER   5  15.243   3.126  -1.495
   35   1HB   SER   5          2HB       SER   5  15.741   4.815   0.288
   36   2HB   SER   5          1HB       SER   5  16.485   5.228  -1.254
   37    HG   SER   5           HG       SER   5  15.417   7.020  -0.332
   38    H    VAL   6           H        VAL   6  14.255   2.856   0.805
   39    HA   VAL   6           HA       VAL   6  11.318   2.798   0.547
   40    HB   VAL   6           HB       VAL   6  13.262   1.890   2.696
   41   1HG1  VAL   6          1HG1      VAL   6  11.205   0.487   3.380
   42   2HG1  VAL   6          2HG1      VAL   6  10.263   1.634   2.426
   43   3HG1  VAL   6          3HG1      VAL   6  11.192   2.196   3.817
   44   1HG2  VAL   6          1HG2      VAL   6  11.696   0.356   0.599
   45   2HG2  VAL   6          2HG2      VAL   6  12.780  -0.350   1.796
   46   3HG2  VAL   6          3HG2      VAL   6  13.425   0.694   0.528
   47    H    ILE   7           H        ILE   7   9.936   4.223   1.547
   48    HA   ILE   7           HA       ILE   7  11.158   6.398   3.187
   49    HB   ILE   7           HB       ILE   7   8.887   6.089   1.279
   50   1HG1  ILE   7          2HG1      ILE   7   9.662   8.391   0.665
   51   2HG1  ILE   7          1HG1      ILE   7  10.858   8.295   1.957
   52   1HG2  ILE   7          1HG2      ILE   7   8.814   7.912   3.690
   53   2HG2  ILE   7          2HG2      ILE   7   7.551   6.832   3.097
   54   3HG2  ILE   7          3HG2      ILE   7   7.946   8.299   2.204
   55   1HD1  ILE   7          1HD1      ILE   7  12.020   6.512   0.888
   56   2HD1  ILE   7          2HD1      ILE   7  11.670   7.671  -0.393
   57   3HD1  ILE   7          3HD1      ILE   7  10.688   6.215  -0.229
   58    H    LYS   8           H        LYS   8   8.582   3.924   3.269
   59    HA   LYS   8           HA       LYS   8   8.544   4.104   6.213
   60   1HB   LYS   8          2HB       LYS   8   6.911   5.781   4.767
   61   2HB   LYS   8          1HB       LYS   8   5.849   4.402   5.048
   62   1HG   LYS   8          2HG       LYS   8   5.891   4.662   7.356
   63   2HG   LYS   8          1HG       LYS   8   7.463   5.462   7.342
   64   1HD   LYS   8          2HD       LYS   8   5.500   6.995   5.843
   65   2HD   LYS   8          1HD       LYS   8   4.956   6.711   7.496
   66   1HE   LYS   8          2HE       LYS   8   7.063   7.617   8.381
   67   2HE   LYS   8          1HE       LYS   8   7.670   7.850   6.729
   68   1HZ   LYS   8          1HZ       LYS   8   6.656   9.888   7.557
   69   2HZ   LYS   8          2HZ       LYS   8   5.198   9.066   7.868
   70   3HZ   LYS   8          3HZ       LYS   8   5.747   9.260   6.269
   71    H    GLU   9           H        GLU   9   7.934   2.149   7.101
   72    HA   GLU   9           HA       GLU   9   6.599   0.129   5.326
   73   1HB   GLU   9          2HB       GLU   9   8.193  -1.532   6.414
   74   2HB   GLU   9          1HB       GLU   9   8.956  -0.375   5.328
   75   1HG   GLU   9          2HG       GLU   9   8.762   0.499   8.153
   76   2HG   GLU   9          1HG       GLU   9   9.829  -0.874   7.864
   77    H    GLY  10           H        GLY  10   5.108  -1.227   6.431
   78   1HA   GLY  10          2HA       GLY  10   4.993  -1.336   9.337
   79   2HA   GLY  10          1HA       GLY  10   3.742  -0.294   8.668
   80    H    TRP  11           H        TRP  11   2.731  -2.329   9.986
   81    HA   TRP  11           HA       TRP  11   2.287  -4.645   8.170
   82   1HB   TRP  11          2HB       TRP  11   1.875  -3.959  11.060
   83   2HB   TRP  11          1HB       TRP  11   0.883  -5.236  10.359
   84    HD1  TRP  11           HD       TRP  11   4.489  -4.373  11.242
   85    HE1  TRP  11           1HE      TRP  11   5.912  -6.525  11.132
   86    HE3  TRP  11           3HE      TRP  11   1.073  -7.590   9.227
   87    HZ2  TRP  11           2HZ      TRP  11   5.631  -9.243  10.296
   88    HZ3  TRP  11           3HZ      TRP  11   1.681  -9.952   8.782
   89    HH2  TRP  11           HH       TRP  11   3.957 -10.779   9.312
   90    H    LEU  12           H        LEU  12   0.293  -5.027   7.182
   91    HA   LEU  12           HA       LEU  12  -1.972  -3.152   7.787
   92   1HB   LEU  12          2HB       LEU  12  -0.694  -3.896   5.146
   93   2HB   LEU  12          1HB       LEU  12  -2.329  -3.248   5.229
   94    HG   LEU  12           HG       LEU  12   0.186  -1.892   6.249
   95   1HD1  LEU  12          1HD1      LEU  12  -1.688  -1.316   3.934
   96   2HD1  LEU  12          2HD1      LEU  12   0.002  -1.806   3.823
   97   3HD1  LEU  12          3HD1      LEU  12  -0.415  -0.223   4.477
   98   1HD2  LEU  12          1HD2      LEU  12  -1.681   0.035   6.321
   99   2HD2  LEU  12          2HD2      LEU  12  -1.377  -1.015   7.705
  100   3HD2  LEU  12          3HD2      LEU  12  -2.728  -1.353   6.622
  101    H    HIS  13           H        HIS  13  -4.064  -4.099   7.461
  102    HA   HIS  13           HA       HIS  13  -4.062  -7.072   7.447
  103   1HB   HIS  13          2HB       HIS  13  -5.701  -4.868   8.516
  104   2HB   HIS  13          1HB       HIS  13  -6.644  -6.223   7.890
  105    HD1  HIS  13           1HD      HIS  13  -6.690  -8.347   9.272
  106    HD2  HIS  13           2HD      HIS  13  -3.771  -5.671  10.577
  107    HE1  HIS  13           1HE      HIS  13  -5.750  -9.301  11.423
  108    H    LYS  14           H        LYS  14  -4.410  -8.087   5.537
  109    HA   LYS  14           HA       LYS  14  -6.221  -6.799   3.517
  110   1HB   LYS  14          2HB       LYS  14  -3.719  -6.842   3.036
  111   2HB   LYS  14          1HB       LYS  14  -3.840  -8.601   2.984
  112   1HG   LYS  14          2HG       LYS  14  -4.325  -8.326   0.787
  113   2HG   LYS  14          1HG       LYS  14  -5.920  -7.822   1.345
  114   1HD   LYS  14          2HD       LYS  14  -4.477  -5.506   1.645
  115   2HD   LYS  14          1HD       LYS  14  -3.731  -6.207   0.207
  116   1HE   LYS  14          2HE       LYS  14  -6.216  -6.602  -0.567
  117   2HE   LYS  14          1HE       LYS  14  -6.583  -5.335   0.618
  118   1HZ   LYS  14          1HZ       LYS  14  -6.070  -4.352  -1.527
  119   2HZ   LYS  14          2HZ       LYS  14  -4.570  -5.149  -1.564
  120   3HZ   LYS  14          3HZ       LYS  14  -4.869  -3.948  -0.399
  121    H    ARG  15           H        ARG  15  -7.852  -8.119   2.747
  122    HA   ARG  15           HA       ARG  15  -8.542 -10.568   4.070
  123   1HB   ARG  15          2HB       ARG  15 -10.307 -10.647   2.322
  124   2HB   ARG  15          1HB       ARG  15 -10.156  -9.037   3.021
  125   1HG   ARG  15          2HG       ARG  15  -9.686  -8.158   1.005
  126   2HG   ARG  15          1HG       ARG  15  -8.343  -9.280   0.794
  127   1HD   ARG  15          2HD       ARG  15  -9.543 -10.562  -0.649
  128   2HD   ARG  15          1HD       ARG  15 -10.933 -10.603   0.450
  129    HE   ARG  15           HE       ARG  15 -11.794  -8.638  -0.586
  130   1HH1  ARG  15          1HH2      ARG  15  -8.592  -9.414  -1.730
  131   2HH1  ARG  15          2HH2      ARG  15  -8.659  -8.280  -3.033
  132   1HH2  ARG  15          1HH1      ARG  15 -11.848  -7.152  -2.278
  133   2HH2  ARG  15          2HH1      ARG  15 -10.481  -6.999  -3.332
  134    H    GLY  16           H        GLY  16  -8.552 -12.735   3.232
  135   1HA   GLY  16          2HA       GLY  16  -6.190 -13.476   1.744
  136   2HA   GLY  16          1HA       GLY  16  -7.469 -14.575   2.253
  137    H    GLU  17           H        GLU  17  -7.341 -15.626   0.163
  138    HA   GLU  17           HA       GLU  17  -7.678 -14.282  -2.347
  139   1HB   GLU  17          2HB       GLU  17  -6.819 -16.628  -1.818
  140   2HB   GLU  17          1HB       GLU  17  -8.506 -17.109  -1.637
  141   1HG   GLU  17          2HG       GLU  17  -8.911 -17.010  -3.882
  142   2HG   GLU  17          1HG       GLU  17  -7.880 -15.596  -4.106
  143    H    TYR  18           H        TYR  18 -10.117 -16.370  -0.712
  144    HA   TYR  18           HA       TYR  18 -12.229 -14.454  -1.634
  145   1HB   TYR  18          2HB       TYR  18 -13.538 -16.381  -2.417
  146   2HB   TYR  18          1HB       TYR  18 -11.964 -16.360  -3.206
  147    HD1  TYR  18           1HD      TYR  18 -14.090 -18.068  -0.731
  148    HD2  TYR  18           2HD      TYR  18 -10.241 -18.012  -2.638
  149    HE1  TYR  18           1HE      TYR  18 -13.635 -20.352   0.120
  150    HE2  TYR  18           2HE      TYR  18  -9.786 -20.296  -1.785
  151    HH   TYR  18           HH       TYR  18 -11.838 -22.372  -0.903
  152    H    ILE  19           H        ILE  19 -10.898 -15.497   1.077
  153    HA   ILE  19           HA       ILE  19 -13.293 -16.511   2.480
  154    HB   ILE  19           HB       ILE  19 -10.851 -17.248   2.797
  155   1HG1  ILE  19          2HG1      ILE  19 -11.131 -17.279   5.356
  156   2HG1  ILE  19          1HG1      ILE  19 -12.629 -16.389   5.085
  157   1HG2  ILE  19          1HG2      ILE  19 -10.576 -14.941   4.684
  158   2HG2  ILE  19          2HG2      ILE  19 -10.225 -14.668   2.978
  159   3HG2  ILE  19          3HG2      ILE  19  -9.324 -15.886   3.879
  160   1HD1  ILE  19          1HD1      ILE  19 -12.268 -18.772   3.370
  161   2HD1  ILE  19          2HD1      ILE  19 -13.702 -18.208   4.226
  162   3HD1  ILE  19          3HD1      ILE  19 -12.460 -19.113   5.089
  163    H    LYS  20           H        LYS  20 -14.281 -15.343   4.258
  164    HA   LYS  20           HA       LYS  20 -14.286 -12.412   3.881
  165   1HB   LYS  20          2HB       LYS  20 -16.181 -14.313   4.409
  166   2HB   LYS  20          1HB       LYS  20 -15.877 -13.694   6.032
  167   1HG   LYS  20          2HG       LYS  20 -16.589 -11.537   5.489
  168   2HG   LYS  20          1HG       LYS  20 -16.281 -11.761   3.766
  169   1HD   LYS  20          2HD       LYS  20 -18.144 -13.572   3.895
  170   2HD   LYS  20          1HD       LYS  20 -18.587 -12.788   5.411
  171   1HE   LYS  20          2HE       LYS  20 -19.237 -10.805   4.357
  172   2HE   LYS  20          1HE       LYS  20 -18.193 -11.096   2.952
  173   1HZ   LYS  20          1HZ       LYS  20 -20.578 -12.718   3.683
  174   2HZ   LYS  20          2HZ       LYS  20 -19.581 -12.965   2.329
  175   3HZ   LYS  20          3HZ       LYS  20 -20.531 -11.560   2.444
  176    H    THR  21           H        THR  21 -11.805 -13.298   4.917
  177    HA   THR  21           HA       THR  21 -11.882 -12.124   7.669
  178    HB   THR  21           HB       THR  21 -10.224 -14.515   6.807
  179    HG1  THR  21           1HG      THR  21 -12.120 -15.447   6.937
  180   1HG2  THR  21          1HG2      THR  21 -10.853 -13.330   9.523
  181   2HG2  THR  21          2HG2      THR  21  -9.305 -13.228   8.684
  182   3HG2  THR  21          3HG2      THR  21  -9.905 -14.790   9.243
  183    H    TRP  22           H        TRP  22 -10.128 -10.766   8.099
  184    HA   TRP  22           HA       TRP  22  -8.274 -10.232   5.813
  185   1HB   TRP  22          2HB       TRP  22  -9.262  -8.585   8.162
  186   2HB   TRP  22          1HB       TRP  22  -8.043  -8.015   7.024
  187    HD1  TRP  22           HD       TRP  22 -11.653  -9.418   6.928
  188    HE1  TRP  22           1HE      TRP  22 -12.905  -8.276   4.988
  189    HE3  TRP  22           3HE      TRP  22  -7.887  -6.556   5.008
  190    HZ2  TRP  22           2HZ      TRP  22 -12.383  -6.394   2.898
  191    HZ3  TRP  22           3HZ      TRP  22  -8.291  -5.101   3.046
  192    HH2  TRP  22           HH       TRP  22 -10.531  -5.014   1.990
  193    H    ARG  23           H        ARG  23  -6.088 -10.532   6.098
  194    HA   ARG  23           HA       ARG  23  -5.130 -11.268   8.849
  195   1HB   ARG  23          2HB       ARG  23  -4.557 -12.247   6.065
  196   2HB   ARG  23          1HB       ARG  23  -3.319 -12.423   7.309
  197   1HG   ARG  23          2HG       ARG  23  -6.162 -13.323   7.786
  198   2HG   ARG  23          1HG       ARG  23  -4.980 -14.379   7.010
  199   1HD   ARG  23          2HD       ARG  23  -3.449 -13.864   9.030
  200   2HD   ARG  23          1HD       ARG  23  -4.915 -13.248   9.818
  201    HE   ARG  23           HE       ARG  23  -4.387 -16.057   9.099
  202   1HH1  ARG  23          1HH2      ARG  23  -6.748 -13.632   9.919
  203   2HH1  ARG  23          2HH2      ARG  23  -7.886 -14.782  10.533
  204   1HH2  ARG  23          1HH1      ARG  23  -5.875 -17.542   9.903
  205   2HH2  ARG  23          2HH1      ARG  23  -7.394 -16.990  10.525
  206    HA   PRO  24           HA       PRO  24  -2.372  -7.845   8.529
  207   1HB   PRO  24          2HB       PRO  24  -0.449  -8.625  10.309
  208   2HB   PRO  24          1HB       PRO  24  -2.058  -8.064  10.803
  209   1HG   PRO  24          2HG       PRO  24  -0.982 -10.822  10.654
  210   2HG   PRO  24          1HG       PRO  24  -2.132 -10.115  11.797
  211   1HD   PRO  24          2HD       PRO  24  -2.812 -11.738   9.668
  212   2HD   PRO  24          1HD       PRO  24  -3.918 -10.613  10.486
  213    H    ARG  25           H        ARG  25  -0.625  -7.273   7.269
  214    HA   ARG  25           HA       ARG  25   1.338  -9.368   6.406
  215   1HB   ARG  25          2HB       ARG  25  -0.573  -7.687   4.805
  216   2HB   ARG  25          1HB       ARG  25   0.991  -8.091   4.099
  217   1HG   ARG  25          2HG       ARG  25  -0.058  -9.992   3.427
  218   2HG   ARG  25          1HG       ARG  25   0.220 -10.519   5.086
  219   1HD   ARG  25          2HD       ARG  25  -1.989  -9.987   5.753
  220   2HD   ARG  25          1HD       ARG  25  -2.252  -8.945   4.342
  221    HE   ARG  25           HE       ARG  25  -2.677 -10.872   3.041
  222   1HH1  ARG  25          1HH2      ARG  25  -1.173 -11.708   6.072
  223   2HH1  ARG  25          2HH2      ARG  25  -1.401 -13.409   5.849
  224   1HH2  ARG  25          1HH1      ARG  25  -2.958 -13.090   2.763
  225   2HH2  ARG  25          2HH1      ARG  25  -2.394 -14.190   3.976
  226    H    TYR  26           H        TYR  26   3.448  -8.497   6.124
  227    HA   TYR  26           HA       TYR  26   3.832  -5.723   7.084
  228   1HB   TYR  26          2HB       TYR  26   5.212  -7.625   7.888
  229   2HB   TYR  26          1HB       TYR  26   5.795  -7.882   6.246
  230    HD1  TYR  26           1HD      TYR  26   5.357  -4.966   8.583
  231    HD2  TYR  26           2HD      TYR  26   7.890  -7.010   5.780
  232    HE1  TYR  26           1HE      TYR  26   7.112  -3.248   8.915
  233    HE2  TYR  26           2HE      TYR  26   9.646  -5.295   6.115
  234    HH   TYR  26           HH       TYR  26   9.718  -3.206   8.647
  235    H    PHE  27           H        PHE  27   3.722  -4.103   5.597
  236    HA   PHE  27           HA       PHE  27   4.731  -4.645   2.825
  237   1HB   PHE  27          2HB       PHE  27   2.886  -3.507   2.026
  238   2HB   PHE  27          1HB       PHE  27   2.201  -4.058   3.552
  239    HD1  PHE  27           1HD      PHE  27   3.393  -1.187   1.638
  240    HD2  PHE  27           2HD      PHE  27   2.073  -2.513   5.499
  241    HE1  PHE  27           1HE      PHE  27   3.063   1.170   2.332
  242    HE2  PHE  27           2HE      PHE  27   1.742  -0.159   6.194
  243    HZ   PHE  27           HZ       PHE  27   2.237   1.682   4.612
  244    H    LEU  28           H        LEU  28   5.645  -2.689   1.741
  245    HA   LEU  28           HA       LEU  28   6.674  -0.606   3.602
  246   1HB   LEU  28          2HB       LEU  28   8.841  -1.296   3.437
  247   2HB   LEU  28          1HB       LEU  28   8.138  -2.838   2.970
  248    HG   LEU  28           HG       LEU  28   8.658  -0.750   0.869
  249   1HD1  LEU  28          1HD1      LEU  28  10.729  -1.098   2.313
  250   2HD1  LEU  28          2HD1      LEU  28  10.921  -1.467   0.599
  251   3HD1  LEU  28          3HD1      LEU  28  10.717  -2.774   1.765
  252   1HD2  LEU  28          1HD2      LEU  28   8.947  -2.774  -0.525
  253   2HD2  LEU  28          2HD2      LEU  28   7.391  -2.802   0.304
  254   3HD2  LEU  28          3HD2      LEU  28   8.726  -3.787   0.901
  255    H    LEU  29           H        LEU  29   6.788   1.397   2.639
  256    HA   LEU  29           HA       LEU  29   6.017   1.580  -0.247
  257   1HB   LEU  29          2HB       LEU  29   4.456   2.640   1.234
  258   2HB   LEU  29          1HB       LEU  29   5.748   3.389   2.170
  259    HG   LEU  29           HG       LEU  29   6.374   4.728   0.146
  260   1HD1  LEU  29          1HD1      LEU  29   5.170   4.639  -1.843
  261   2HD1  LEU  29          2HD1      LEU  29   3.727   3.996  -1.060
  262   3HD1  LEU  29          3HD1      LEU  29   5.113   2.947  -1.350
  263   1HD2  LEU  29          1HD2      LEU  29   3.458   5.230   0.620
  264   2HD2  LEU  29          2HD2      LEU  29   4.801   6.372   0.600
  265   3HD2  LEU  29          3HD2      LEU  29   4.560   5.320   1.995
  266    H    LYS  30           H        LYS  30   7.499   2.387  -1.675
  267    HA   LYS  30           HA       LYS  30  10.066   3.483  -0.598
  268   1HB   LYS  30          2HB       LYS  30   9.190   2.304  -3.254
  269   2HB   LYS  30          1HB       LYS  30  10.794   2.977  -2.979
  270   1HG   LYS  30          2HG       LYS  30  10.959   1.370  -0.985
  271   2HG   LYS  30          1HG       LYS  30   9.538   0.569  -1.656
  272   1HD   LYS  30          2HD       LYS  30  12.165   1.015  -3.111
  273   2HD   LYS  30          1HD       LYS  30  11.608  -0.520  -2.445
  274   1HE   LYS  30          2HE       LYS  30   9.563  -0.327  -3.941
  275   2HE   LYS  30          1HE       LYS  30  10.357   1.052  -4.724
  276   1HZ   LYS  30          1HZ       LYS  30  12.236  -0.307  -5.265
  277   2HZ   LYS  30          2HZ       LYS  30  10.843  -1.115  -5.808
  278   3HZ   LYS  30          3HZ       LYS  30  11.622  -1.622  -4.383
  279    H    SER  31           H        SER  31  11.052   5.148  -2.276
  280    HA   SER  31           HA       SER  31   9.312   7.474  -2.370
  281   1HB   SER  31          2HB       SER  31  11.919   7.161  -2.139
  282   2HB   SER  31          1HB       SER  31  11.887   7.183  -3.899
  283    HG   SER  31           HG       SER  31  10.771   9.159  -2.181
  284    H    ASP  32           H        ASP  32   9.232   4.802  -4.327
  285    HA   ASP  32           HA       ASP  32   9.073   6.065  -6.961
  286   1HB   ASP  32          2HB       ASP  32   9.814   3.685  -6.275
  287   2HB   ASP  32          1HB       ASP  32   8.098   3.334  -6.095
  288    H    GLY  33           H        GLY  33   6.946   5.770  -4.287
  289   1HA   GLY  33          2HA       GLY  33   4.729   6.623  -4.153
  290   2HA   GLY  33          1HA       GLY  33   4.685   6.724  -5.915
  291    H    SER  34           H        SER  34   5.686   3.845  -4.145
  292    HA   SER  34           HA       SER  34   3.081   2.511  -4.535
  293   1HB   SER  34          2HB       SER  34   3.671   1.817  -6.618
  294   2HB   SER  34          1HB       SER  34   5.315   2.404  -6.417
  295    HG   SER  34           HG       SER  34   5.924   0.479  -5.666
  296    H    PHE  35           H        PHE  35   2.880   0.746  -3.127
  297    HA   PHE  35           HA       PHE  35   5.338  -0.120  -1.659
  298   1HB   PHE  35          2HB       PHE  35   3.987  -0.060   0.424
  299   2HB   PHE  35          1HB       PHE  35   4.129   1.525  -0.320
  300    HD1  PHE  35           1HD      PHE  35   1.855  -1.362   0.210
  301    HD2  PHE  35           2HD      PHE  35   2.208   2.693  -1.162
  302    HE1  PHE  35           1HE      PHE  35  -0.615  -1.159   0.172
  303    HE2  PHE  35           2HE      PHE  35  -0.262   2.893  -1.204
  304    HZ   PHE  35           HZ       PHE  35  -1.674   0.969  -0.534
  305    H    ILE  36           H        ILE  36   5.427  -2.311  -1.163
  306    HA   ILE  36           HA       ILE  36   3.217  -3.997  -2.296
  307    HB   ILE  36           HB       ILE  36   6.207  -4.343  -1.959
  308   1HG1  ILE  36          2HG1      ILE  36   5.693  -4.962  -4.509
  309   2HG1  ILE  36          1HG1      ILE  36   4.273  -3.961  -4.210
  310   1HG2  ILE  36          1HG2      ILE  36   4.336  -6.453  -3.052
  311   2HG2  ILE  36          2HG2      ILE  36   4.856  -6.447  -1.368
  312   3HG2  ILE  36          3HG2      ILE  36   6.046  -6.614  -2.656
  313   1HD1  ILE  36          1HD1      ILE  36   6.934  -3.101  -4.750
  314   2HD1  ILE  36          2HD1      ILE  36   6.557  -2.642  -3.091
  315   3HD1  ILE  36          3HD1      ILE  36   5.520  -2.103  -4.412
  316    H    GLY  37           H        GLY  37   2.172  -5.427  -0.945
  317   1HA   GLY  37          2HA       GLY  37   3.013  -5.476   1.910
  318   2HA   GLY  37          1HA       GLY  37   1.407  -5.888   1.313
  319    H    TYR  38           H        TYR  38   4.009  -7.248   2.688
  320    HA   TYR  38           HA       TYR  38   4.039  -9.754   1.067
  321   1HB   TYR  38          2HB       TYR  38   5.713  -8.418   3.154
  322   2HB   TYR  38          1HB       TYR  38   5.762 -10.177   3.096
  323    HD1  TYR  38           1HD      TYR  38   6.461  -7.067   1.236
  324    HD2  TYR  38           2HD      TYR  38   6.725 -11.355   1.205
  325    HE1  TYR  38           1HE      TYR  38   8.010  -6.957  -0.696
  326    HE2  TYR  38           2HE      TYR  38   8.273 -11.246  -0.727
  327    HH   TYR  38           HH       TYR  38   9.634  -9.830  -1.929
  328    H    LYS  39           H        LYS  39   3.276 -11.745   1.958
  329    HA   LYS  39           HA       LYS  39   1.102 -11.773   3.756
  330   1HB   LYS  39          2HB       LYS  39   1.565 -14.208   3.889
  331   2HB   LYS  39          1HB       LYS  39   1.735 -13.618   2.239
  332   1HG   LYS  39          2HG       LYS  39   4.267 -13.298   2.946
  333   2HG   LYS  39          1HG       LYS  39   3.860 -14.506   4.163
  334   1HD   LYS  39          2HD       LYS  39   2.793 -15.282   1.585
  335   2HD   LYS  39          1HD       LYS  39   4.524 -14.974   1.463
  336   1HE   LYS  39          2HE       LYS  39   4.469 -16.391   3.788
  337   2HE   LYS  39          1HE       LYS  39   3.097 -17.123   2.933
  338   1HZ   LYS  39          1HZ       LYS  39   4.531 -17.327   0.958
  339   2HZ   LYS  39          2HZ       LYS  39   5.125 -18.225   2.274
  340   3HZ   LYS  39          3HZ       LYS  39   5.845 -16.744   1.860
  341    H    GLU  40           H        GLU  40   4.568 -11.970   4.432
  342    HA   GLU  40           HA       GLU  40   3.990 -11.652   7.354
  343   1HB   GLU  40          2HB       GLU  40   5.015 -13.914   6.068
  344   2HB   GLU  40          1HB       GLU  40   6.454 -13.095   6.675
  345   1HG   GLU  40          2HG       GLU  40   4.488 -12.973   8.733
  346   2HG   GLU  40          1HG       GLU  40   4.529 -14.636   8.145
  347    H    ARG  41           H        ARG  41   6.776 -11.395   8.049
  348    HA   ARG  41           HA       ARG  41   7.494  -8.906   6.530
  349   1HB   ARG  41          2HB       ARG  41   8.473  -8.178   8.733
  350   2HB   ARG  41          1HB       ARG  41   6.730  -8.428   8.783
  351   1HG   ARG  41          2HG       ARG  41   6.976 -10.553   9.873
  352   2HG   ARG  41          1HG       ARG  41   8.714 -10.570   9.587
  353   1HD   ARG  41          2HD       ARG  41   7.284  -8.521  11.319
  354   2HD   ARG  41          1HD       ARG  41   8.169  -9.927  11.939
  355    HE   ARG  41           HE       ARG  41   9.366  -7.529  10.745
  356   1HH1  ARG  41          1HH2      ARG  41   9.745 -10.902  11.526
  357   2HH1  ARG  41          2HH2      ARG  41  11.473 -10.836  11.482
  358   1HH2  ARG  41          1HH1      ARG  41  11.617  -7.461  10.690
  359   2HH2  ARG  41          2HH1      ARG  41  12.531  -8.896  11.009
  360    HA   PRO  42           HA       PRO  42  11.018 -12.057   6.479
  361   1HB   PRO  42          2HB       PRO  42  11.038 -12.625   3.805
  362   2HB   PRO  42          1HB       PRO  42  10.079 -13.547   4.980
  363   1HG   PRO  42          2HG       PRO  42   9.218 -11.427   3.082
  364   2HG   PRO  42          1HG       PRO  42   8.377 -12.899   3.592
  365   1HD   PRO  42          2HD       PRO  42   7.810 -10.397   4.554
  366   2HD   PRO  42          1HD       PRO  42   7.488 -11.904   5.437
  367    H    GLU  43           H        GLU  43  12.960 -10.974   6.405
  368    HA   GLU  43           HA       GLU  43  13.236  -8.710   4.463
  369   1HB   GLU  43          2HB       GLU  43  14.868  -7.817   6.098
  370   2HB   GLU  43          1HB       GLU  43  13.308  -8.115   6.857
  371   1HG   GLU  43          2HG       GLU  43  14.219 -10.361   7.615
  372   2HG   GLU  43          1HG       GLU  43  15.801  -9.827   7.049
  373    H    ALA  44           H        ALA  44  15.081 -11.433   5.920
  374    HA   ALA  44           HA       ALA  44  16.888 -12.683   5.080
  375   1HB   ALA  44          1HB       ALA  44  15.917 -13.464   3.190
  376   2HB   ALA  44          2HB       ALA  44  16.772 -12.185   2.329
  377   3HB   ALA  44          3HB       ALA  44  15.121 -11.922   2.884
  378    HA   PRO  45           HA       PRO  45  20.377 -10.100   4.356
  379   1HB   PRO  45          2HB       PRO  45  21.876 -11.439   2.490
  380   2HB   PRO  45          1HB       PRO  45  21.724 -11.973   4.176
  381   1HG   PRO  45          2HG       PRO  45  20.329 -12.970   1.743
  382   2HG   PRO  45          1HG       PRO  45  20.963 -13.870   3.128
  383   1HD   PRO  45          2HD       PRO  45  18.324 -13.289   2.809
  384   2HD   PRO  45          1HD       PRO  45  19.091 -13.494   4.398
  385    H    ASP  46           H        ASP  46  18.970 -11.271   1.282
  386    HA   ASP  46           HA       ASP  46  19.545  -8.587   0.065
  387   1HB   ASP  46          2HB       ASP  46  19.341 -11.386  -1.085
  388   2HB   ASP  46          1HB       ASP  46  19.433  -9.939  -2.089
  389    H    GLN  47           H        GLN  47  17.042 -10.300   1.417
  390    HA   GLN  47           HA       GLN  47  14.703 -10.151   1.272
  391   1HB   GLN  47          2HB       GLN  47  15.814  -7.663   0.707
  392   2HB   GLN  47          1HB       GLN  47  14.718  -7.925  -0.649
  393   1HG   GLN  47          2HG       GLN  47  13.926  -8.248   2.260
  394   2HG   GLN  47          1HG       GLN  47  13.633  -6.790   1.312
  395   1HE2  GLN  47          1HE2      GLN  47  12.164  -9.653   2.272
  396   2HE2  GLN  47          2HE2      GLN  47  11.014  -9.789   1.032
  397    H    THR  48           H        THR  48  15.865 -12.036  -0.403
  398    HA   THR  48           HA       THR  48  14.830 -11.665  -3.130
  399    HB   THR  48           HB       THR  48  17.019 -12.733  -2.580
  400    HG1  THR  48           1HG      THR  48  15.157 -14.492  -3.797
  401   1HG2  THR  48          1HG2      THR  48  15.888 -15.324  -1.864
  402   2HG2  THR  48          2HG2      THR  48  15.532 -14.090  -0.655
  403   3HG2  THR  48          3HG2      THR  48  17.204 -14.428  -1.105
  404    H    LEU  49           H        LEU  49  12.666 -11.483  -1.602
  405    HA   LEU  49           HA       LEU  49  11.338 -14.174  -1.713
  406   1HB   LEU  49          2HB       LEU  49  10.920 -11.763   0.085
  407   2HB   LEU  49          1HB       LEU  49   9.876 -13.184   0.093
  408    HG   LEU  49           HG       LEU  49  12.533 -14.155   0.249
  409   1HD1  LEU  49          1HD1      LEU  49  13.212 -13.017   2.415
  410   2HD1  LEU  49          2HD1      LEU  49  11.993 -11.792   2.064
  411   3HD1  LEU  49          3HD1      LEU  49  13.359 -12.018   0.970
  412   1HD2  LEU  49          1HD2      LEU  49  11.702 -14.670   2.659
  413   2HD2  LEU  49          2HD2      LEU  49  10.800 -15.355   1.307
  414   3HD2  LEU  49          3HD2      LEU  49  10.192 -13.923   2.137
  415    HA   PRO  50           HA       PRO  50   8.717 -12.302  -4.746
  416   1HB   PRO  50          2HB       PRO  50   6.633 -14.077  -4.650
  417   2HB   PRO  50          1HB       PRO  50   8.184 -14.443  -5.431
  418   1HG   PRO  50          2HG       PRO  50   7.172 -15.264  -2.757
  419   2HG   PRO  50          1HG       PRO  50   8.133 -16.177  -3.931
  420   1HD   PRO  50          2HD       PRO  50   9.184 -14.999  -1.703
  421   2HD   PRO  50          1HD       PRO  50  10.109 -15.298  -3.190
  422    HA   PRO  51           HA       PRO  51   6.107  -9.843  -2.104
  423   1HB   PRO  51          2HB       PRO  51   4.931  -8.348  -4.075
  424   2HB   PRO  51          1HB       PRO  51   6.586  -8.067  -3.501
  425   1HG   PRO  51          2HG       PRO  51   5.651  -9.514  -5.932
  426   2HG   PRO  51          1HG       PRO  51   7.017  -8.404  -5.736
  427   1HD   PRO  51          2HD       PRO  51   7.313 -11.097  -5.815
  428   2HD   PRO  51          1HD       PRO  51   8.394 -10.035  -4.884
  429    H    LEU  52           H        LEU  52   3.953  -9.991  -1.412
  430    HA   LEU  52           HA       LEU  52   2.259 -12.013  -2.768
  431   1HB   LEU  52          2HB       LEU  52   2.715 -10.966  -0.092
  432   2HB   LEU  52          1HB       LEU  52   0.995 -10.986  -0.469
  433    HG   LEU  52           HG       LEU  52   1.799 -13.117   0.565
  434   1HD1  LEU  52          1HD1      LEU  52   0.820 -14.616  -1.222
  435   2HD1  LEU  52          2HD1      LEU  52   0.766 -13.207  -2.280
  436   3HD1  LEU  52          3HD1      LEU  52  -0.183 -13.231  -0.793
  437   1HD2  LEU  52          1HD2      LEU  52   3.256 -14.597  -0.689
  438   2HD2  LEU  52          2HD2      LEU  52   4.067 -13.040  -0.525
  439   3HD2  LEU  52          3HD2      LEU  52   3.295 -13.476  -2.050
  440    H    ASN  53           H        ASN  53   2.062  -8.584  -1.747
  441    HA   ASN  53           HA       ASN  53  -0.179  -8.228  -3.712
  442   1HB   ASN  53          2HB       ASN  53  -0.447  -8.264  -0.988
  443   2HB   ASN  53          1HB       ASN  53  -0.155  -6.548  -1.270
  444   1HD2  ASN  53          1HD2      ASN  53  -2.204  -9.241  -2.541
  445   2HD2  ASN  53          2HD2      ASN  53  -3.542  -8.253  -2.878
  446    H    ASN  54           H        ASN  54   0.265  -6.597  -5.149
  447    HA   ASN  54           HA       ASN  54   2.475  -4.683  -4.487
  448   1HB   ASN  54          2HB       ASN  54   2.685  -6.222  -6.462
  449   2HB   ASN  54          1HB       ASN  54   1.252  -5.465  -7.157
  450   1HD2  ASN  54          1HD2      ASN  54   4.691  -5.089  -6.665
  451   2HD2  ASN  54          2HD2      ASN  54   4.835  -3.579  -7.425
  452    H    PHE  55           H        PHE  55   1.848  -2.589  -4.081
  453    HA   PHE  55           HA       PHE  55  -0.783  -1.660  -5.198
  454   1HB   PHE  55          2HB       PHE  55   0.224  -1.937  -2.482
  455   2HB   PHE  55          1HB       PHE  55  -0.246  -0.271  -2.816
  456    HD1  PHE  55           1HD      PHE  55  -1.525  -3.702  -3.674
  457    HD2  PHE  55           2HD      PHE  55  -2.445   0.256  -2.285
  458    HE1  PHE  55           1HE      PHE  55  -3.913  -4.328  -3.475
  459    HE2  PHE  55           2HE      PHE  55  -4.835  -0.372  -2.084
  460    HZ   PHE  55           HZ       PHE  55  -5.566  -2.662  -2.680
  461    H    SER  56           H        SER  56  -0.695   0.302  -6.248
  462    HA   SER  56           HA       SER  56   1.767   1.981  -5.893
  463   1HB   SER  56          2HB       SER  56   1.448   2.411  -8.410
  464   2HB   SER  56          1HB       SER  56   2.028   0.813  -7.954
  465    HG   SER  56           HG       SER  56   0.211  -0.028  -8.630
  466    H    VAL  57           H        VAL  57   1.425   4.265  -6.173
  467    HA   VAL  57           HA       VAL  57  -1.416   5.174  -6.403
  468    HB   VAL  57           HB       VAL  57  -0.657   4.823  -4.014
  469   1HG1  VAL  57          1HG1      VAL  57   1.622   5.397  -3.974
  470   2HG1  VAL  57          2HG1      VAL  57   0.853   6.779  -3.195
  471   3HG1  VAL  57          3HG1      VAL  57   1.362   6.887  -4.879
  472   1HG2  VAL  57          1HG2      VAL  57  -1.136   7.746  -4.638
  473   2HG2  VAL  57          2HG2      VAL  57  -1.649   6.845  -3.212
  474   3HG2  VAL  57          3HG2      VAL  57  -2.401   6.525  -4.774
  475    H    ALA  58           H        ALA  58   0.821   5.315  -8.331
  476    HA   ALA  58           HA       ALA  58   1.857   8.062  -8.282
  477   1HB   ALA  58          1HB       ALA  58   1.875   5.832 -10.343
  478   2HB   ALA  58          2HB       ALA  58   3.163   6.213  -9.200
  479   3HB   ALA  58          3HB       ALA  58   2.778   7.338 -10.503
  480    H    GLU  59           H        GLU  59  -0.177   6.296 -10.665
  481    HA   GLU  59           HA       GLU  59  -1.412   8.908 -11.445
  482   1HB   GLU  59          2HB       GLU  59  -1.103   6.200 -12.765
  483   2HB   GLU  59          1HB       GLU  59  -2.117   7.471 -13.445
  484   1HG   GLU  59          2HG       GLU  59   0.167   8.873 -12.969
  485   2HG   GLU  59          1HG       GLU  59   0.837   7.279 -13.318
  486    H    CYS  60           H        CYS  60  -2.108   6.477  -9.309
  487    HA   CYS  60           HA       CYS  60  -4.981   6.210 -10.035
  488   1HB   CYS  60          2HB       CYS  60  -3.256   4.955  -7.873
  489   2HB   CYS  60          1HB       CYS  60  -4.926   4.510  -8.220
  490    H    GLN  61           H        GLN  61  -6.314   6.109  -7.743
  491    HA   GLN  61           HA       GLN  61  -5.666   8.613  -6.220
  492   1HB   GLN  61          2HB       GLN  61  -7.391   8.998  -7.937
  493   2HB   GLN  61          1HB       GLN  61  -8.331   7.643  -7.314
  494   1HG   GLN  61          2HG       GLN  61  -7.733   9.379  -5.121
  495   2HG   GLN  61          1HG       GLN  61  -8.369  10.365  -6.438
  496   1HE2  GLN  61          1HE2      GLN  61  -9.128   7.558  -4.357
  497   2HE2  GLN  61          2HE2      GLN  61 -10.801   7.604  -4.634
  498    H    LEU  62           H        LEU  62  -5.772   8.318  -4.010
  499    HA   LEU  62           HA       LEU  62  -6.908   5.731  -3.008
  500   1HB   LEU  62          2HB       LEU  62  -4.463   6.257  -2.724
  501   2HB   LEU  62          1HB       LEU  62  -4.924   7.634  -1.723
  502    HG   LEU  62           HG       LEU  62  -6.190   5.066  -0.970
  503   1HD1  LEU  62          1HD1      LEU  62  -3.207   5.504  -0.889
  504   2HD1  LEU  62          2HD1      LEU  62  -4.096   4.066  -1.393
  505   3HD1  LEU  62          3HD1      LEU  62  -4.009   4.495   0.315
  506   1HD2  LEU  62          1HD2      LEU  62  -6.600   6.697   0.607
  507   2HD2  LEU  62          2HD2      LEU  62  -5.079   7.532   0.295
  508   3HD2  LEU  62          3HD2      LEU  62  -5.095   6.063   1.271
  509    H    MET  63           H        MET  63  -8.277   5.772  -1.158
  510    HA   MET  63           HA       MET  63  -9.112   8.404  -0.054
  511   1HB   MET  63          2HB       MET  63 -10.576   8.193  -1.923
  512   2HB   MET  63          1HB       MET  63 -10.794   6.465  -1.656
  513   1HG   MET  63          2HG       MET  63 -12.466   6.798  -0.166
  514   2HG   MET  63          1HG       MET  63 -11.586   8.081   0.660
  515   1HE   MET  63          1HE       MET  63 -15.285   8.573  -1.460
  516   2HE   MET  63          2HE       MET  63 -14.833   8.341   0.228
  517   3HE   MET  63          3HE       MET  63 -14.454   7.094  -0.958
  518    H    LYS  64           H        LYS  64  -9.732   8.195   2.104
  519    HA   LYS  64           HA       LYS  64  -9.422   5.559   3.378
  520   1HB   LYS  64          2HB       LYS  64  -9.621   6.864   5.439
  521   2HB   LYS  64          1HB       LYS  64  -8.546   7.706   4.325
  522   1HG   LYS  64          2HG       LYS  64 -11.072   8.690   3.671
  523   2HG   LYS  64          1HG       LYS  64 -11.112   8.565   5.430
  524   1HD   LYS  64          2HD       LYS  64  -8.928   9.789   5.516
  525   2HD   LYS  64          1HD       LYS  64  -9.030  10.018   3.771
  526   1HE   LYS  64          2HE       LYS  64 -11.245  10.910   5.643
  527   2HE   LYS  64          1HE       LYS  64  -9.898  11.971   5.186
  528   1HZ   LYS  64          1HZ       LYS  64 -10.550  11.003   2.803
  529   2HZ   LYS  64          2HZ       LYS  64 -11.255  12.412   3.440
  530   3HZ   LYS  64          3HZ       LYS  64 -12.075  10.928   3.543
  531    H    THR  65           H        THR  65 -11.120   4.416   4.426
  532    HA   THR  65           HA       THR  65 -13.892   5.479   4.192
  533    HB   THR  65           HB       THR  65 -13.454   4.374   2.073
  534    HG1  THR  65           1HG      THR  65 -15.097   2.920   2.139
  535   1HG2  THR  65          1HG2      THR  65 -12.210   2.318   3.850
  536   2HG2  THR  65          2HG2      THR  65 -11.645   2.960   2.308
  537   3HG2  THR  65          3HG2      THR  65 -12.951   1.775   2.344
  538    H    GLU  66           H        GLU  66 -15.446   3.692   5.134
  539    HA   GLU  66           HA       GLU  66 -14.163   2.508   7.579
  540   1HB   GLU  66          2HB       GLU  66 -16.916   3.700   7.110
  541   2HB   GLU  66          1HB       GLU  66 -16.384   2.976   8.628
  542   1HG   GLU  66          2HG       GLU  66 -14.345   4.680   8.256
  543   2HG   GLU  66          1HG       GLU  66 -15.598   5.565   7.384
  544    H    ARG  67           H        ARG  67 -14.991   1.399   4.738
  545    HA   ARG  67           HA       ARG  67 -16.408  -1.004   5.826
  546   1HB   ARG  67          2HB       ARG  67 -17.401   0.959   4.047
  547   2HB   ARG  67          1HB       ARG  67 -17.056  -0.459   3.056
  548   1HG   ARG  67          2HG       ARG  67 -19.191  -0.995   3.765
  549   2HG   ARG  67          1HG       ARG  67 -18.256  -1.723   5.069
  550   1HD   ARG  67          2HD       ARG  67 -18.661   0.137   6.531
  551   2HD   ARG  67          1HD       ARG  67 -19.310   1.119   5.202
  552    HE   ARG  67           HE       ARG  67 -20.787  -1.337   5.388
  553   1HH1  ARG  67          1HH2      ARG  67 -20.299   1.699   7.009
  554   2HH1  ARG  67          2HH2      ARG  67 -21.891   1.731   7.684
  555   1HH2  ARG  67          1HH1      ARG  67 -22.859  -1.288   6.275
  556   2HH2  ARG  67          2HH1      ARG  67 -23.337   0.045   7.272
  557    HA   PRO  68           HA       PRO  68 -16.944  -2.913   5.180
  558   1HB   PRO  68          2HB       PRO  68 -15.830  -5.254   6.049
  559   2HB   PRO  68          1HB       PRO  68 -16.494  -5.036   4.418
  560   1HG   PRO  68          2HG       PRO  68 -13.669  -4.994   5.331
  561   2HG   PRO  68          1HG       PRO  68 -14.364  -5.652   3.845
  562   1HD   PRO  68          2HD       PRO  68 -13.051  -3.259   3.976
  563   2HD   PRO  68          1HD       PRO  68 -14.296  -3.640   2.768
  564    H    ARG  69           H        ARG  69 -13.689  -2.398   6.416
  565    HA   ARG  69           HA       ARG  69 -14.770  -2.362   9.220
  566   1HB   ARG  69          2HB       ARG  69 -12.173  -3.151   7.946
  567   2HB   ARG  69          1HB       ARG  69 -12.138  -2.530   9.596
  568   1HG   ARG  69          2HG       ARG  69 -12.542  -4.715  10.139
  569   2HG   ARG  69          1HG       ARG  69 -14.213  -4.272   9.791
  570   1HD   ARG  69          2HD       ARG  69 -13.901  -5.027   7.433
  571   2HD   ARG  69          1HD       ARG  69 -12.257  -5.542   7.845
  572    HE   ARG  69           HE       ARG  69 -13.156  -7.299   9.183
  573   1HH1  ARG  69          1HH2      ARG  69 -15.638  -5.128   8.065
  574   2HH1  ARG  69          2HH2      ARG  69 -16.919  -6.238   8.393
  575   1HH2  ARG  69          1HH1      ARG  69 -14.837  -8.732   9.606
  576   2HH2  ARG  69          2HH1      ARG  69 -16.471  -8.268   9.272
  577    HA   PRO  70           HA       PRO  70 -13.844   1.936   9.490
  578   1HB   PRO  70          2HB       PRO  70 -12.864   2.170  12.037
  579   2HB   PRO  70          1HB       PRO  70 -14.580   1.892  11.680
  580   1HG   PRO  70          2HG       PRO  70 -12.485  -0.052  12.519
  581   2HG   PRO  70          1HG       PRO  70 -14.179   0.066  13.021
  582   1HD   PRO  70          2HD       PRO  70 -13.305  -1.748  11.204
  583   2HD   PRO  70          1HD       PRO  70 -14.945  -1.062  11.174
  584    H    ASN  71           H        ASN  71 -12.072   3.478   9.502
  585    HA   ASN  71           HA       ASN  71  -9.873   4.166   8.999
  586   1HB   ASN  71          2HB       ASN  71  -9.907   2.520  11.336
  587   2HB   ASN  71          1HB       ASN  71  -8.443   2.126  10.433
  588   1HD2  ASN  71          1HD2      ASN  71  -6.716   3.570  10.664
  589   2HD2  ASN  71          2HD2      ASN  71  -6.846   5.135  11.307
  590    H    THR  72           H        THR  72 -10.829   2.863   6.893
  591    HA   THR  72           HA       THR  72  -8.804   0.776   6.151
  592    HB   THR  72           HB       THR  72 -11.682   1.304   5.377
  593    HG1  THR  72           1HG      THR  72 -11.872  -0.111   6.896
  594   1HG2  THR  72          1HG2      THR  72 -10.760   0.698   3.292
  595   2HG2  THR  72          2HG2      THR  72 -11.323  -0.833   3.960
  596   3HG2  THR  72          3HG2      THR  72  -9.610  -0.420   4.026
  597    H    PHE  73           H        PHE  73  -7.904   0.910   4.004
  598    HA   PHE  73           HA       PHE  73  -8.068   3.644   2.767
  599   1HB   PHE  73          2HB       PHE  73  -5.908   1.888   3.664
  600   2HB   PHE  73          1HB       PHE  73  -5.688   2.390   1.991
  601    HD1  PHE  73           1HD      PHE  73  -3.727   3.754   2.529
  602    HD2  PHE  73           2HD      PHE  73  -7.531   4.523   4.374
  603    HE1  PHE  73           1HE      PHE  73  -2.908   5.962   3.304
  604    HE2  PHE  73           2HE      PHE  73  -6.710   6.730   5.144
  605    HZ   PHE  73           HZ       PHE  73  -4.399   7.449   4.610
  606    H    VAL  74           H        VAL  74  -8.822   3.676   0.693
  607    HA   VAL  74           HA       VAL  74  -8.761   1.127  -0.904
  608    HB   VAL  74           HB       VAL  74 -10.811   3.375  -0.826
  609   1HG1  VAL  74          1HG1      VAL  74 -10.648   2.389  -3.060
  610   2HG1  VAL  74          2HG1      VAL  74 -12.140   1.858  -2.285
  611   3HG1  VAL  74          3HG1      VAL  74 -10.756   0.768  -2.375
  612   1HG2  VAL  74          1HG2      VAL  74 -11.264   0.495  -0.055
  613   2HG2  VAL  74          2HG2      VAL  74 -12.213   1.914   0.382
  614   3HG2  VAL  74          3HG2      VAL  74 -10.634   1.648   1.120
  615    H    ILE  75           H        ILE  75  -7.568   1.324  -2.768
  616    HA   ILE  75           HA       ILE  75  -7.201   4.072  -3.924
  617    HB   ILE  75           HB       ILE  75  -5.240   2.988  -2.691
  618   1HG1  ILE  75          2HG1      ILE  75  -4.611   3.426  -5.606
  619   2HG1  ILE  75          1HG1      ILE  75  -5.171   4.758  -4.594
  620   1HG2  ILE  75          1HG2      ILE  75  -4.030   1.214  -3.804
  621   2HG2  ILE  75          2HG2      ILE  75  -5.146   1.245  -5.168
  622   3HG2  ILE  75          3HG2      ILE  75  -5.698   0.680  -3.591
  623   1HD1  ILE  75          1HD1      ILE  75  -2.595   4.298  -4.801
  624   2HD1  ILE  75          2HD1      ILE  75  -2.919   3.013  -3.638
  625   3HD1  ILE  75          3HD1      ILE  75  -3.280   4.688  -3.224
  626    H    ARG  76           H        ARG  76  -7.469   4.233  -6.170
  627    HA   ARG  76           HA       ARG  76  -7.606   1.801  -7.837
  628   1HB   ARG  76          2HB       ARG  76  -9.825   2.320  -6.497
  629   2HB   ARG  76          1HB       ARG  76 -10.054   3.539  -7.751
  630   1HG   ARG  76          2HG       ARG  76 -10.030   1.899  -9.490
  631   2HG   ARG  76          1HG       ARG  76  -9.420   0.653  -8.401
  632   1HD   ARG  76          2HD       ARG  76 -11.762   1.450  -7.138
  633   2HD   ARG  76          1HD       ARG  76 -12.194   1.520  -8.857
  634    HE   ARG  76           HE       ARG  76 -10.679  -0.870  -8.317
  635   1HH1  ARG  76          1HH2      ARG  76 -13.836   0.553  -7.947
  636   2HH1  ARG  76          2HH2      ARG  76 -14.647  -0.975  -7.878
  637   1HH2  ARG  76          1HH1      ARG  76 -11.740  -2.847  -8.211
  638   2HH2  ARG  76          2HH1      ARG  76 -13.461  -2.896  -8.015
  639    H    CYS  77           H        CYS  77  -7.188   2.288  -9.984
  640    HA   CYS  77           HA       CYS  77  -6.614   5.123 -10.666
  641   1HB   CYS  77          2HB       CYS  77  -5.657   2.475 -11.362
  642   2HB   CYS  77          1HB       CYS  77  -6.084   3.363 -12.825
  643    H    LEU  78           H        LEU  78  -8.635   6.074 -11.093
  644    HA   LEU  78           HA       LEU  78 -10.514   6.645 -12.395
  645   1HB   LEU  78          2HB       LEU  78  -8.660   5.734 -14.135
  646   2HB   LEU  78          1HB       LEU  78  -9.902   4.507 -14.384
  647    HG   LEU  78           HG       LEU  78 -10.518   7.470 -14.435
  648   1HD1  LEU  78          1HD1      LEU  78 -10.493   7.211 -16.933
  649   2HD1  LEU  78          2HD1      LEU  78  -9.759   5.622 -16.717
  650   3HD1  LEU  78          3HD1      LEU  78  -8.896   7.069 -16.198
  651   1HD2  LEU  78          1HD2      LEU  78 -12.430   6.509 -15.880
  652   2HD2  LEU  78          2HD2      LEU  78 -12.500   6.188 -14.147
  653   3HD2  LEU  78          3HD2      LEU  78 -11.946   4.933 -15.254
  654    H    GLN  79           H        GLN  79 -12.197   5.921 -11.080
  655    HA   GLN  79           HA       GLN  79 -12.844   3.143 -10.618
  656   1HB   GLN  79          2HB       GLN  79 -14.361   5.753 -10.313
  657   2HB   GLN  79          1HB       GLN  79 -14.971   4.207  -9.726
  658   1HG   GLN  79          2HG       GLN  79 -13.210   3.980  -8.152
  659   2HG   GLN  79          1HG       GLN  79 -12.240   5.228  -8.936
  660   1HE2  GLN  79          1HE2      GLN  79 -14.504   4.681  -6.418
  661   2HE2  GLN  79          2HE2      GLN  79 -14.873   6.305  -6.087
  662    H    TRP  80           H        TRP  80 -14.678   1.961 -11.471
  663    HA   TRP  80           HA       TRP  80 -15.976   3.070 -13.921
  664   1HB   TRP  80          2HB       TRP  80 -13.921   0.989 -13.725
  665   2HB   TRP  80          1HB       TRP  80 -15.367   0.426 -14.565
  666    HD1  TRP  80           HD       TRP  80 -12.382   2.671 -14.944
  667    HE1  TRP  80           1HE      TRP  80 -12.415   3.773 -17.275
  668    HE3  TRP  80           3HE      TRP  80 -17.077   1.364 -16.472
  669    HZ2  TRP  80           2HZ      TRP  80 -14.196   4.061 -19.494
  670    HZ3  TRP  80           3HZ      TRP  80 -17.915   2.065 -18.697
  671    HH2  TRP  80           HH       TRP  80 -16.482   3.411 -20.208
  672    H    THR  81           H        THR  81 -15.759   0.021 -12.032
  673    HA   THR  81           HA       THR  81 -18.759   0.014 -11.884
  674    HB   THR  81           HB       THR  81 -17.743  -1.638 -13.475
  675    HG1  THR  81           1HG      THR  81 -19.098  -3.164 -12.832
  676   1HG2  THR  81          1HG2      THR  81 -15.616  -2.011 -12.309
  677   2HG2  THR  81          2HG2      THR  81 -16.470  -3.541 -12.513
  678   3HG2  THR  81          3HG2      THR  81 -16.472  -2.733 -10.945
  679    H    THR  82           H        THR  82 -19.295  -1.842 -10.058
  680    HA   THR  82           HA       THR  82 -18.316  -0.732  -7.556
  681    HB   THR  82           HB       THR  82 -19.715  -2.766  -6.695
  682    HG1  THR  82           1HG      THR  82 -20.953  -3.750  -8.231
  683   1HG2  THR  82          1HG2      THR  82 -21.789  -1.572  -7.142
  684   2HG2  THR  82          2HG2      THR  82 -21.039  -0.716  -8.491
  685   3HG2  THR  82          3HG2      THR  82 -20.503  -0.404  -6.840
  686    H    VAL  83           H        VAL  83 -18.479  -4.237  -7.799
  687    HA   VAL  83           HA       VAL  83 -16.890  -5.848  -7.090
  688    HB   VAL  83           HB       VAL  83 -15.273  -4.147  -9.023
  689   1HG1  VAL  83          1HG1      VAL  83 -13.931  -5.847  -7.837
  690   2HG1  VAL  83          2HG1      VAL  83 -14.132  -6.282  -9.533
  691   3HG1  VAL  83          3HG1      VAL  83 -15.095  -7.090  -8.297
  692   1HG2  VAL  83          1HG2      VAL  83 -17.212  -6.434  -9.511
  693   2HG2  VAL  83          2HG2      VAL  83 -16.190  -5.698 -10.745
  694   3HG2  VAL  83          3HG2      VAL  83 -17.458  -4.749  -9.970
  695    H    ILE  84           H        ILE  84 -16.768  -4.892  -4.856
  696    HA   ILE  84           HA       ILE  84 -14.915  -2.908  -4.046
  697    HB   ILE  84           HB       ILE  84 -16.808  -3.994  -2.757
  698   1HG1  ILE  84          2HG1      ILE  84 -15.032  -2.514  -1.734
  699   2HG1  ILE  84          1HG1      ILE  84 -15.783  -3.641  -0.609
  700   1HG2  ILE  84          1HG2      ILE  84 -14.805  -6.105  -1.969
  701   2HG2  ILE  84          2HG2      ILE  84 -15.926  -6.358  -3.306
  702   3HG2  ILE  84          3HG2      ILE  84 -16.545  -6.072  -1.680
  703   1HD1  ILE  84          1HD1      ILE  84 -13.741  -5.189  -1.385
  704   2HD1  ILE  84          2HD1      ILE  84 -13.570  -4.016  -0.080
  705   3HD1  ILE  84          3HD1      ILE  84 -13.004  -3.618  -1.701
  706    H    GLU  85           H        GLU  85 -12.770  -2.924  -4.467
  707    HA   GLU  85           HA       GLU  85 -11.131  -5.271  -3.719
  708   1HB   GLU  85          2HB       GLU  85 -11.905  -4.518  -6.449
  709   2HB   GLU  85          1HB       GLU  85 -10.156  -4.621  -6.247
  710   1HG   GLU  85          2HG       GLU  85 -11.781  -6.819  -5.055
  711   2HG   GLU  85          1HG       GLU  85 -11.660  -6.777  -6.813
  712    H    ARG  86           H        ARG  86  -8.704  -4.632  -4.314
  713    HA   ARG  86           HA       ARG  86  -6.908  -3.179  -3.827
  714   1HB   ARG  86          2HB       ARG  86  -8.528  -2.126  -5.801
  715   2HB   ARG  86          1HB       ARG  86  -8.401  -0.785  -4.663
  716   1HG   ARG  86          2HG       ARG  86  -6.270  -0.383  -5.277
  717   2HG   ARG  86          1HG       ARG  86  -5.825  -2.063  -5.001
  718   1HD   ARG  86          2HD       ARG  86  -7.287  -2.230  -7.343
  719   2HD   ARG  86          1HD       ARG  86  -6.417  -0.696  -7.531
  720    HE   ARG  86           HE       ARG  86  -4.376  -1.888  -7.532
  721   1HH1  ARG  86          1HH2      ARG  86  -7.003  -3.890  -6.424
  722   2HH1  ARG  86          2HH2      ARG  86  -6.048  -5.330  -6.395
  723   1HH2  ARG  86          1HH1      ARG  86  -3.147  -3.769  -7.502
  724   2HH2  ARG  86          2HH1      ARG  86  -3.865  -5.262  -6.998
  725    H    THR  87           H        THR  87  -9.004  -3.587  -1.717
  726    HA   THR  87           HA       THR  87  -8.730  -0.990  -0.234
  727    HB   THR  87           HB       THR  87 -10.787  -3.223  -0.041
  728    HG1  THR  87           1HG      THR  87 -11.270  -2.079  -1.818
  729   1HG2  THR  87          1HG2      THR  87 -10.665  -2.273   2.119
  730   2HG2  THR  87          2HG2      THR  87 -11.984  -1.398   1.341
  731   3HG2  THR  87          3HG2      THR  87 -10.392  -0.651   1.483
  732    H    PHE  88           H        PHE  88  -7.534  -1.090   1.654
  733    HA   PHE  88           HA       PHE  88  -7.111  -3.772   2.903
  734   1HB   PHE  88          2HB       PHE  88  -4.793  -3.518   2.859
  735   2HB   PHE  88          1HB       PHE  88  -5.246  -2.756   1.340
  736    HD1  PHE  88           1HD      PHE  88  -4.619  -1.953   4.950
  737    HD2  PHE  88           2HD      PHE  88  -4.556  -0.561   0.886
  738    HE1  PHE  88           1HE      PHE  88  -3.527   0.143   5.684
  739    HE2  PHE  88           2HE      PHE  88  -3.461   1.537   1.627
  740    HZ   PHE  88           HZ       PHE  88  -2.944   1.883   4.030
  741    H    HIS  89           H        HIS  89  -6.739  -3.693   5.193
  742    HA   HIS  89           HA       HIS  89  -7.713  -1.164   6.479
  743   1HB   HIS  89          2HB       HIS  89  -7.614  -4.018   7.520
  744   2HB   HIS  89          1HB       HIS  89  -8.440  -2.661   8.279
  745    HD1  HIS  89           1HD      HIS  89 -10.269  -4.888   7.714
  746    HD2  HIS  89           2HD      HIS  89  -9.356  -2.106   4.748
  747    HE1  HIS  89           1HE      HIS  89 -12.122  -5.029   6.000
  748    H    VAL  90           H        VAL  90  -6.602  -0.438   8.423
  749    HA   VAL  90           HA       VAL  90  -3.731  -1.272   8.508
  750    HB   VAL  90           HB       VAL  90  -3.516   0.850   9.855
  751   1HG1  VAL  90          1HG1      VAL  90  -3.012   1.147   7.590
  752   2HG1  VAL  90          2HG1      VAL  90  -4.270   2.353   7.860
  753   3HG1  VAL  90          3HG1      VAL  90  -4.667   0.824   7.078
  754   1HG2  VAL  90          1HG2      VAL  90  -6.206   1.746   8.993
  755   2HG2  VAL  90          2HG2      VAL  90  -5.316   2.114  10.468
  756   3HG2  VAL  90          3HG2      VAL  90  -6.185   0.587  10.322
  757    H    ASP  91           H        ASP  91  -2.731  -1.649  10.636
  758    HA   ASP  91           HA       ASP  91  -4.412  -3.259  12.403
  759   1HB   ASP  91          2HB       ASP  91  -1.736  -3.113  11.692
  760   2HB   ASP  91          1HB       ASP  91  -1.732  -2.483  13.338
  761    H    SER  92           H        SER  92  -3.216   0.049  12.386
  762    HA   SER  92           HA       SER  92  -4.633   0.533  14.977
  763   1HB   SER  92          2HB       SER  92  -1.778   0.940  14.213
  764   2HB   SER  92          1HB       SER  92  -2.522   2.200  15.194
  765    HG   SER  92           HG       SER  92  -2.248   0.892  16.805
  766    HA   PRO  93           HA       PRO  93  -6.280   4.039  12.895
  767   1HB   PRO  93          2HB       PRO  93  -6.386   5.906  14.904
  768   2HB   PRO  93          1HB       PRO  93  -7.508   4.534  14.794
  769   1HG   PRO  93          2HG       PRO  93  -5.056   4.842  16.466
  770   2HG   PRO  93          1HG       PRO  93  -6.631   4.150  16.893
  771   1HD   PRO  93          2HD       PRO  93  -4.494   2.611  16.292
  772   2HD   PRO  93          1HD       PRO  93  -6.159   2.121  15.902
  773    H    ASP  94           H        ASP  94  -3.347   4.507  14.805
  774    HA   ASP  94           HA       ASP  94  -2.552   7.033  13.629
  775   1HB   ASP  94          2HB       ASP  94  -0.795   4.873  14.838
  776   2HB   ASP  94          1HB       ASP  94  -0.497   6.610  14.818
  777    H    GLU  95           H        GLU  95  -2.001   3.617  12.810
  778    HA   GLU  95           HA       GLU  95   0.068   3.922  10.872
  779   1HB   GLU  95          2HB       GLU  95  -1.195   1.867  12.016
  780   2HB   GLU  95          1HB       GLU  95  -2.131   1.922  10.523
  781   1HG   GLU  95          2HG       GLU  95  -0.424   0.555   9.804
  782   2HG   GLU  95          1HG       GLU  95   0.321   2.115   9.460
  783    H    ARG  96           H        ARG  96  -3.497   3.902  10.402
  784    HA   ARG  96           HA       ARG  96  -3.524   4.268   7.581
  785   1HB   ARG  96          2HB       ARG  96  -5.465   3.705   8.997
  786   2HB   ARG  96          1HB       ARG  96  -5.395   5.300   9.741
  787   1HG   ARG  96          2HG       ARG  96  -5.443   5.694   6.924
  788   2HG   ARG  96          1HG       ARG  96  -6.703   4.520   7.306
  789   1HD   ARG  96          2HD       ARG  96  -7.930   6.420   7.760
  790   2HD   ARG  96          1HD       ARG  96  -7.088   6.328   9.320
  791    HE   ARG  96           HE       ARG  96  -5.549   7.695   7.238
  792   1HH1  ARG  96          1HH2      ARG  96  -7.901   8.018   9.784
  793   2HH1  ARG  96          2HH2      ARG  96  -7.578   9.700  10.025
  794   1HH2  ARG  96          1HH1      ARG  96  -5.142   9.885   7.565
  795   2HH2  ARG  96          2HH1      ARG  96  -6.015  10.750   8.784
  796    H    GLU  97           H        GLU  97  -3.393   6.697  10.193
  797    HA   GLU  97           HA       GLU  97  -3.479   9.008   8.454
  798   1HB   GLU  97          2HB       GLU  97  -2.248   8.781  11.215
  799   2HB   GLU  97          1HB       GLU  97  -2.993  10.201  10.486
  800   1HG   GLU  97          2HG       GLU  97  -5.033   8.363  10.338
  801   2HG   GLU  97          1HG       GLU  97  -4.248   7.911  11.847
  802    H    GLU  98           H        GLU  98  -0.855   6.983   9.721
  803    HA   GLU  98           HA       GLU  98   1.326   8.731   8.995
  804   1HB   GLU  98          2HB       GLU  98   1.363   6.815  10.624
  805   2HB   GLU  98          1HB       GLU  98   1.234   5.704   9.260
  806   1HG   GLU  98          2HG       GLU  98   3.590   5.992   9.988
  807   2HG   GLU  98          1HG       GLU  98   3.343   6.559   8.337
  808    H    TRP  99           H        TRP  99  -0.375   6.094   7.295
  809    HA   TRP  99           HA       TRP  99   1.365   6.001   4.996
  810   1HB   TRP  99          2HB       TRP  99  -1.585   5.333   5.290
  811   2HB   TRP  99          1HB       TRP  99  -0.517   4.744   4.015
  812    HD1  TRP  99           HD       TRP  99  -2.059   3.202   6.627
  813    HE1  TRP  99           1HE      TRP  99  -0.623   1.492   7.891
  814    HE3  TRP  99           3HE      TRP  99   2.598   4.712   5.169
  815    HZ2  TRP  99           2HZ      TRP  99   2.136   0.860   8.272
  816    HZ3  TRP  99           3HZ      TRP  99   4.613   3.541   6.011
  817    HH2  TRP  99           HH       TRP  99   4.387   1.620   7.559
  818    H    MET 100           H        MET 100  -1.667   7.773   5.666
  819    HA   MET 100           HA       MET 100  -2.037   8.984   3.122
  820   1HB   MET 100          2HB       MET 100  -3.347   8.955   5.476
  821   2HB   MET 100          1HB       MET 100  -2.580  10.536   5.619
  822   1HG   MET 100          2HG       MET 100  -3.729  10.106   2.965
  823   2HG   MET 100          1HG       MET 100  -4.938   9.989   4.244
  824   1HE   MET 100          1HE       MET 100  -6.337  11.897   4.340
  825   2HE   MET 100          2HE       MET 100  -5.844  12.108   2.662
  826   3HE   MET 100          3HE       MET 100  -5.916  13.505   3.733
  827    H    ARG 101           H        ARG 101  -0.143  10.106   5.950
  828    HA   ARG 101           HA       ARG 101   0.774  12.570   4.785
  829   1HB   ARG 101          2HB       ARG 101   0.816  11.461   7.229
  830   2HB   ARG 101          1HB       ARG 101   2.445  11.015   6.722
  831   1HG   ARG 101          2HG       ARG 101   2.926  13.094   7.574
  832   2HG   ARG 101          1HG       ARG 101   2.464  13.590   5.945
  833   1HD   ARG 101          2HD       ARG 101   1.020  14.981   7.082
  834   2HD   ARG 101          1HD       ARG 101   0.013  13.524   7.158
  835    HE   ARG 101           HE       ARG 101   0.580  13.291   9.446
  836   1HH1  ARG 101          1HH2      ARG 101   2.702  15.543   7.852
  837   2HH1  ARG 101          2HH2      ARG 101   3.435  16.074   9.324
  838   1HH2  ARG 101          1HH1      ARG 101   1.546  13.990  11.356
  839   2HH2  ARG 101          2HH1      ARG 101   2.783  15.200  11.303
  840    H    ALA 102           H        ALA 102   2.157   9.277   4.861
  841    HA   ALA 102           HA       ALA 102   4.652   9.877   3.582
  842   1HB   ALA 102          1HB       ALA 102   3.083   7.303   3.339
  843   2HB   ALA 102          2HB       ALA 102   3.833   7.791   4.859
  844   3HB   ALA 102          3HB       ALA 102   4.832   7.507   3.434
  845    H    ILE 103           H        ILE 103   1.487   8.861   2.247
  846    HA   ILE 103           HA       ILE 103   2.308   8.641  -0.495
  847    HB   ILE 103           HB       ILE 103  -0.347   9.293   0.836
  848   1HG1  ILE 103          2HG1      ILE 103   0.439   6.682  -0.445
  849   2HG1  ILE 103          1HG1      ILE 103   0.957   7.043   1.201
  850   1HG2  ILE 103          1HG2      ILE 103  -1.213   8.303  -1.414
  851   2HG2  ILE 103          2HG2      ILE 103   0.379   8.734  -2.039
  852   3HG2  ILE 103          3HG2      ILE 103  -0.683   9.986  -1.391
  853   1HD1  ILE 103          1HD1      ILE 103  -1.522   7.624   1.648
  854   2HD1  ILE 103          2HD1      ILE 103  -1.103   5.919   1.488
  855   3HD1  ILE 103          3HD1      ILE 103  -1.854   6.773   0.140
  856    H    GLN 104           H        GLN 104   0.938  11.371   1.366
  857    HA   GLN 104           HA       GLN 104   0.762  13.273  -0.760
  858   1HB   GLN 104          2HB       GLN 104  -0.203  13.361   1.584
  859   2HB   GLN 104          1HB       GLN 104   1.413  13.761   2.164
  860   1HG   GLN 104          2HG       GLN 104   0.417  15.873   1.884
  861   2HG   GLN 104          1HG       GLN 104   1.332  15.667   0.392
  862   1HE2  GLN 104          1HE2      GLN 104   0.155  15.848  -1.540
  863   2HE2  GLN 104          2HE2      GLN 104  -1.539  15.816  -1.639
  864    H    MET 105           H        MET 105   3.454  12.402   1.404
  865    HA   MET 105           HA       MET 105   5.259  14.493   0.564
  866   1HB   MET 105          2HB       MET 105   5.318  11.938   2.092
  867   2HB   MET 105          1HB       MET 105   6.864  12.501   1.462
  868   1HG   MET 105          2HG       MET 105   5.284  14.651   2.676
  869   2HG   MET 105          1HG       MET 105   5.682  13.365   3.815
  870   1HE   MET 105          1HE       MET 105   8.546  16.041   1.433
  871   2HE   MET 105          2HE       MET 105   6.791  16.160   1.543
  872   3HE   MET 105          3HE       MET 105   7.522  14.839   0.634
  873    H    VAL 106           H        VAL 106   4.858  11.080  -0.461
  874    HA   VAL 106           HA       VAL 106   6.986  11.151  -2.428
  875    HB   VAL 106           HB       VAL 106   4.518   9.395  -2.134
  876   1HG1  VAL 106          1HG1      VAL 106   6.454   7.861  -3.320
  877   2HG1  VAL 106          2HG1      VAL 106   6.759   9.431  -4.062
  878   3HG1  VAL 106          3HG1      VAL 106   5.167   8.686  -4.200
  879   1HG2  VAL 106          1HG2      VAL 106   5.638   8.261  -0.521
  880   2HG2  VAL 106          2HG2      VAL 106   6.705   9.662  -0.434
  881   3HG2  VAL 106          3HG2      VAL 106   7.142   8.283  -1.442
  882    H    ALA 107           H        ALA 107   3.458  11.671  -2.566
  883    HA   ALA 107           HA       ALA 107   3.123  11.925  -5.375
  884   1HB   ALA 107          1HB       ALA 107   1.740  13.434  -3.134
  885   2HB   ALA 107          2HB       ALA 107   1.352  11.782  -3.615
  886   3HB   ALA 107          3HB       ALA 107   1.080  13.114  -4.739
  887    H    ASN 108           H        ASN 108   4.313  14.263  -2.975
  888    HA   ASN 108           HA       ASN 108   4.169  16.664  -4.487
  889   1HB   ASN 108          2HB       ASN 108   5.530  15.585  -2.144
  890   2HB   ASN 108          1HB       ASN 108   6.560  16.723  -3.011
  891   1HD2  ASN 108          1HD2      ASN 108   3.131  16.473  -1.882
  892   2HD2  ASN 108          2HD2      ASN 108   3.003  18.114  -1.469
  893    H    SER 109           H        SER 109   6.742  14.179  -4.380
  894    HA   SER 109           HA       SER 109   8.283  15.534  -6.502
  895   1HB   SER 109          2HB       SER 109   8.572  13.024  -4.844
  896   2HB   SER 109          1HB       SER 109   9.690  13.400  -6.152
  897    HG   SER 109           HG       SER 109  10.396  15.136  -5.065
  898    H    LEU 110           H        LEU 110   5.967  12.902  -6.187
  899    HA   LEU 110           HA       LEU 110   6.514  11.542  -8.669
  900   1HB   LEU 110          2HB       LEU 110   4.732  11.406  -6.445
  901   2HB   LEU 110          1HB       LEU 110   3.739  11.437  -7.900
  902    HG   LEU 110           HG       LEU 110   5.150   9.592  -8.842
  903   1HD1  LEU 110          1HD1      LEU 110   6.565   8.334  -7.188
  904   2HD1  LEU 110          2HD1      LEU 110   6.339   9.662  -6.050
  905   3HD1  LEU 110          3HD1      LEU 110   7.195   9.937  -7.568
  906   1HD2  LEU 110          1HD2      LEU 110   2.993   9.333  -7.394
  907   2HD2  LEU 110          2HD2      LEU 110   4.093   8.738  -6.151
  908   3HD2  LEU 110          3HD2      LEU 110   3.978   7.903  -7.699
  909    H    LYS 111           H        LYS 111   4.178  14.111  -7.794
  910    HA   LYS 111           HA       LYS 111   2.964  15.626  -9.130
  911   1HB   LYS 111          2HB       LYS 111   5.221  15.054 -11.079
  912   2HB   LYS 111          1HB       LYS 111   4.255  16.525 -10.982
  913   1HG   LYS 111          2HG       LYS 111   5.114  16.869  -8.650
  914   2HG   LYS 111          1HG       LYS 111   6.180  15.484  -8.885
  915   1HD   LYS 111          2HD       LYS 111   6.913  16.791 -11.053
  916   2HD   LYS 111          1HD       LYS 111   6.278  18.187 -10.182
  917   1HE   LYS 111          2HE       LYS 111   7.763  17.731  -8.286
  918   2HE   LYS 111          1HE       LYS 111   8.360  16.263  -9.085
  919   1HZ   LYS 111          1HZ       LYS 111   9.832  18.132  -9.537
  920   2HZ   LYS 111          2HZ       LYS 111   8.538  19.030 -10.175
  921   3HZ   LYS 111          3HZ       LYS 111   9.072  17.623 -10.965
  Start of MODEL   20
    1   1H    MET   1          1H        MET   1  15.950  -5.245 -12.299
    2   2H    MET   1          2H        MET   1  17.114  -6.246 -11.573
    3   3H    MET   1          3H        MET   1  17.333  -5.703 -13.167
    4    HA   MET   1           HA       MET   1  18.666  -4.523 -11.348
    5   1HB   MET   1          2HB       MET   1  18.422  -2.442 -12.631
    6   2HB   MET   1          1HB       MET   1  18.339  -3.825 -13.720
    7   1HG   MET   1          2HG       MET   1  15.851  -3.702 -13.642
    8   2HG   MET   1          1HG       MET   1  15.976  -2.265 -12.628
    9   1HE   MET   1          1HE       MET   1  16.769   0.574 -14.730
   10   2HE   MET   1          2HE       MET   1  17.939  -0.201 -13.664
   11   3HE   MET   1          3HE       MET   1  16.238  -0.153 -13.207
   12    H    ASN   2           H        ASN   2  18.518  -2.773  -9.786
   13    HA   ASN   2           HA       ASN   2  15.861  -1.815  -8.930
   14   1HB   ASN   2          2HB       ASN   2  16.077  -4.083  -7.944
   15   2HB   ASN   2          1HB       ASN   2  17.593  -3.599  -7.183
   16   1HD2  ASN   2          1HD2      ASN   2  17.472  -2.362  -5.235
   17   2HD2  ASN   2          2HD2      ASN   2  16.005  -1.912  -4.513
   18    H    GLU   3           H        GLU   3  16.099   0.216  -8.049
   19    HA   GLU   3           HA       GLU   3  18.594   0.975  -6.645
   20   1HB   GLU   3          2HB       GLU   3  18.920   2.898  -8.226
   21   2HB   GLU   3          1HB       GLU   3  19.122   1.329  -9.005
   22   1HG   GLU   3          2HG       GLU   3  17.096   1.488 -10.157
   23   2HG   GLU   3          1HG       GLU   3  16.415   2.637  -9.005
   24    H    VAL   4           H        VAL   4  15.948   0.745  -5.629
   25    HA   VAL   4           HA       VAL   4  15.224   3.626  -5.167
   26    HB   VAL   4           HB       VAL   4  13.490   1.146  -5.424
   27   1HG1  VAL   4          1HG1      VAL   4  12.668   2.737  -3.679
   28   2HG1  VAL   4          2HG1      VAL   4  11.579   2.616  -5.060
   29   3HG1  VAL   4          3HG1      VAL   4  12.645   4.012  -4.899
   30   1HG2  VAL   4          1HG2      VAL   4  12.499   2.685  -7.283
   31   2HG2  VAL   4          2HG2      VAL   4  14.022   1.857  -7.606
   32   3HG2  VAL   4          3HG2      VAL   4  14.024   3.560  -7.150
   33    H    SER   5           H        SER   5  15.159   4.216  -3.014
   34    HA   SER   5           HA       SER   5  15.848   2.201  -0.967
   35   1HB   SER   5          2HB       SER   5  15.993   4.268   0.450
   36   2HB   SER   5          1HB       SER   5  16.967   4.372  -1.013
   37    HG   SER   5           HG       SER   5  15.857   6.119  -1.374
   38    H    VAL   6           H        VAL   6  14.572   2.718   1.262
   39    HA   VAL   6           HA       VAL   6  11.663   2.429   0.608
   40    HB   VAL   6           HB       VAL   6  13.308   1.576   3.014
   41   1HG1  VAL   6          1HG1      VAL   6  10.996   1.985   3.656
   42   2HG1  VAL   6          2HG1      VAL   6  11.250   0.243   3.555
   43   3HG1  VAL   6          3HG1      VAL   6  10.411   1.088   2.254
   44   1HG2  VAL   6          1HG2      VAL   6  13.962   0.044   1.415
   45   2HG2  VAL   6          2HG2      VAL   6  12.501   0.272   0.452
   46   3HG2  VAL   6          3HG2      VAL   6  12.450  -0.717   1.912
   47    H    ILE   7           H        ILE   7  10.196   3.845   1.516
   48    HA   ILE   7           HA       ILE   7  11.300   6.122   3.100
   49    HB   ILE   7           HB       ILE   7   9.141   5.673   1.091
   50   1HG1  ILE   7          2HG1      ILE   7   9.908   7.969   0.413
   51   2HG1  ILE   7          1HG1      ILE   7  11.050   7.936   1.756
   52   1HG2  ILE   7          1HG2      ILE   7   8.943   7.773   3.272
   53   2HG2  ILE   7          2HG2      ILE   7   7.798   6.466   2.970
   54   3HG2  ILE   7          3HG2      ILE   7   7.979   7.769   1.795
   55   1HD1  ILE   7          1HD1      ILE   7  12.345   6.248   0.784
   56   2HD1  ILE   7          2HD1      ILE   7  11.851   7.186  -0.625
   57   3HD1  ILE   7          3HD1      ILE   7  11.020   5.680  -0.231
   58    H    LYS   8           H        LYS   8   8.789   3.579   3.192
   59    HA   LYS   8           HA       LYS   8   8.507   4.072   6.109
   60   1HB   LYS   8          2HB       LYS   8   6.917   5.512   4.623
   61   2HB   LYS   8          1HB       LYS   8   6.049   3.998   4.365
   62   1HG   LYS   8          2HG       LYS   8   4.974   4.932   6.245
   63   2HG   LYS   8          1HG       LYS   8   6.100   3.771   6.950
   64   1HD   LYS   8          2HD       LYS   8   7.746   5.614   7.277
   65   2HD   LYS   8          1HD       LYS   8   6.553   6.756   6.659
   66   1HE   LYS   8          2HE       LYS   8   5.711   6.931   8.755
   67   2HE   LYS   8          1HE       LYS   8   5.244   5.221   8.670
   68   1HZ   LYS   8          1HZ       LYS   8   6.854   5.821  10.498
   69   2HZ   LYS   8          2HZ       LYS   8   8.012   6.095   9.287
   70   3HZ   LYS   8          3HZ       LYS   8   7.335   4.550   9.485
   71    H    GLU   9           H        GLU   9   8.011   2.203   7.219
   72    HA   GLU   9           HA       GLU   9   7.162  -0.209   5.643
   73   1HB   GLU   9          2HB       GLU   9   9.306   0.148   7.757
   74   2HB   GLU   9          1HB       GLU   9   8.699  -1.438   7.281
   75   1HG   GLU   9          2HG       GLU   9  10.128  -1.427   5.544
   76   2HG   GLU   9          1HG       GLU   9   9.270  -0.037   4.880
   77    H    GLY  10           H        GLY  10   5.417  -1.274   6.575
   78   1HA   GLY  10          2HA       GLY  10   4.947  -1.208   9.455
   79   2HA   GLY  10          1HA       GLY  10   3.793  -0.225   8.558
   80    H    TRP  11           H        TRP  11   2.844  -2.392   9.985
   81    HA   TRP  11           HA       TRP  11   2.428  -4.563   7.965
   82   1HB   TRP  11          2HB       TRP  11   2.210  -4.311  10.964
   83   2HB   TRP  11          1HB       TRP  11   1.411  -5.639  10.122
   84    HD1  TRP  11           HD       TRP  11   4.913  -4.138  10.664
   85    HE1  TRP  11           1HE      TRP  11   6.662  -5.996  10.292
   86    HE3  TRP  11           3HE      TRP  11   1.867  -7.921   9.075
   87    HZ2  TRP  11           2HZ      TRP  11   6.759  -8.720   9.439
   88    HZ3  TRP  11           3HZ      TRP  11   2.815 -10.135   8.491
   89    HH2  TRP  11           HH       TRP  11   5.256 -10.538   8.671
   90    H    LEU  12           H        LEU  12   0.464  -4.692   6.952
   91    HA   LEU  12           HA       LEU  12  -1.841  -3.153   8.118
   92   1HB   LEU  12          2HB       LEU  12  -0.923  -3.543   5.253
   93   2HB   LEU  12          1HB       LEU  12  -2.463  -2.808   5.688
   94    HG   LEU  12           HG       LEU  12   0.184  -1.786   6.741
   95   1HD1  LEU  12          1HD1      LEU  12   0.530  -1.239   4.538
   96   2HD1  LEU  12          2HD1      LEU  12  -0.549   0.091   4.950
   97   3HD1  LEU  12          3HD1      LEU  12  -1.184  -1.338   4.135
   98   1HD2  LEU  12          1HD2      LEU  12  -1.726   0.251   6.552
   99   2HD2  LEU  12          2HD2      LEU  12  -1.228  -0.578   8.026
  100   3HD2  LEU  12          3HD2      LEU  12  -2.634  -1.148   7.126
  101    H    HIS  13           H        HIS  13  -3.990  -4.059   7.476
  102    HA   HIS  13           HA       HIS  13  -3.877  -7.040   7.384
  103   1HB   HIS  13          2HB       HIS  13  -5.574  -4.943   8.578
  104   2HB   HIS  13          1HB       HIS  13  -6.469  -6.318   7.928
  105    HD1  HIS  13           1HD      HIS  13  -6.680  -8.233   9.505
  106    HD2  HIS  13           2HD      HIS  13  -3.272  -5.965  10.302
  107    HE1  HIS  13           1HE      HIS  13  -5.563  -9.296  11.515
  108    H    LYS  14           H        LYS  14  -4.608  -8.153   5.638
  109    HA   LYS  14           HA       LYS  14  -6.203  -6.691   3.556
  110   1HB   LYS  14          2HB       LYS  14  -3.638  -7.467   3.282
  111   2HB   LYS  14          1HB       LYS  14  -4.424  -8.986   2.848
  112   1HG   LYS  14          2HG       LYS  14  -5.293  -6.372   1.616
  113   2HG   LYS  14          1HG       LYS  14  -3.955  -7.303   0.942
  114   1HD   LYS  14          2HD       LYS  14  -5.634  -9.313   1.060
  115   2HD   LYS  14          1HD       LYS  14  -6.864  -8.051   1.138
  116   1HE   LYS  14          2HE       LYS  14  -4.727  -7.999  -1.001
  117   2HE   LYS  14          1HE       LYS  14  -6.225  -8.921  -1.219
  118   1HZ   LYS  14          1HZ       LYS  14  -5.903  -6.012  -0.774
  119   2HZ   LYS  14          2HZ       LYS  14  -7.370  -6.792  -0.417
  120   3HZ   LYS  14          3HZ       LYS  14  -6.764  -6.801  -2.005
  121    H    ARG  15           H        ARG  15  -8.066  -7.747   2.910
  122    HA   ARG  15           HA       ARG  15  -9.107  -9.984   4.389
  123   1HB   ARG  15          2HB       ARG  15 -10.383  -8.153   3.211
  124   2HB   ARG  15          1HB       ARG  15  -9.943  -8.903   1.676
  125   1HG   ARG  15          2HG       ARG  15 -10.949 -11.071   2.872
  126   2HG   ARG  15          1HG       ARG  15 -11.848  -9.851   3.774
  127   1HD   ARG  15          2HD       ARG  15 -12.677  -8.872   1.667
  128   2HD   ARG  15          1HD       ARG  15 -11.748 -10.066   0.742
  129    HE   ARG  15           HE       ARG  15 -13.288 -11.749   1.409
  130   1HH1  ARG  15          1HH2      ARG  15 -13.746  -8.811   3.219
  131   2HH1  ARG  15          2HH2      ARG  15 -15.265  -9.312   3.875
  132   1HH2  ARG  15          1HH1      ARG  15 -15.264 -12.396   2.282
  133   2HH2  ARG  15          2HH1      ARG  15 -16.120 -11.336   3.350
  134    H    GLY  16           H        GLY  16  -9.349 -12.180   3.737
  135   1HA   GLY  16          2HA       GLY  16  -7.251 -13.256   2.060
  136   2HA   GLY  16          1HA       GLY  16  -8.565 -14.182   2.785
  137    H    GLU  17           H        GLU  17  -8.635 -15.317   0.681
  138    HA   GLU  17           HA       GLU  17  -9.468 -13.863  -1.723
  139   1HB   GLU  17          2HB       GLU  17  -8.800 -16.625  -0.856
  140   2HB   GLU  17          1HB       GLU  17  -9.926 -16.511  -2.207
  141   1HG   GLU  17          2HG       GLU  17  -7.753 -16.565  -3.183
  142   2HG   GLU  17          1HG       GLU  17  -8.276 -14.885  -3.274
  143    H    TYR  18           H        TYR  18 -11.037 -16.316   0.354
  144    HA   TYR  18           HA       TYR  18 -13.702 -15.180  -0.441
  145   1HB   TYR  18          2HB       TYR  18 -14.411 -17.666  -0.081
  146   2HB   TYR  18          1HB       TYR  18 -13.535 -17.255  -1.553
  147    HD1  TYR  18           1HD      TYR  18 -11.283 -18.043  -1.942
  148    HD2  TYR  18           2HD      TYR  18 -13.241 -18.788   1.808
  149    HE1  TYR  18           1HE      TYR  18  -9.495 -19.646  -1.326
  150    HE2  TYR  18           2HE      TYR  18 -11.455 -20.393   2.422
  151    HH   TYR  18           HH       TYR  18  -8.675 -20.523   1.388
  152    H    ILE  19           H        ILE  19 -11.689 -16.449   2.172
  153    HA   ILE  19           HA       ILE  19 -13.699 -16.825   4.163
  154    HB   ILE  19           HB       ILE  19 -11.216 -17.489   4.113
  155   1HG1  ILE  19          2HG1      ILE  19 -11.676 -16.206   6.745
  156   2HG1  ILE  19          1HG1      ILE  19 -12.981 -17.243   6.172
  157   1HG2  ILE  19          1HG2      ILE  19 -10.675 -14.901   5.518
  158   2HG2  ILE  19          2HG2      ILE  19 -10.662 -14.910   3.755
  159   3HG2  ILE  19          3HG2      ILE  19  -9.562 -15.959   4.650
  160   1HD1  ILE  19          1HD1      ILE  19 -11.302 -18.503   7.508
  161   2HD1  ILE  19          2HD1      ILE  19 -10.065 -18.063   6.329
  162   3HD1  ILE  19          3HD1      ILE  19 -11.414 -19.094   5.851
  163    H    LYS  20           H        LYS  20 -14.510 -15.394   5.764
  164    HA   LYS  20           HA       LYS  20 -14.534 -12.536   4.996
  165   1HB   LYS  20          2HB       LYS  20 -16.403 -14.308   5.903
  166   2HB   LYS  20          1HB       LYS  20 -15.951 -13.521   7.414
  167   1HG   LYS  20          2HG       LYS  20 -16.231 -11.304   6.074
  168   2HG   LYS  20          1HG       LYS  20 -17.142 -12.296   4.934
  169   1HD   LYS  20          2HD       LYS  20 -18.426 -13.129   7.046
  170   2HD   LYS  20          1HD       LYS  20 -17.769 -11.686   7.818
  171   1HE   LYS  20          2HE       LYS  20 -19.186 -11.496   5.151
  172   2HE   LYS  20          1HE       LYS  20 -20.091 -11.464   6.677
  173   1HZ   LYS  20          1HZ       LYS  20 -17.822  -9.682   5.944
  174   2HZ   LYS  20          2HZ       LYS  20 -18.600  -9.697   7.457
  175   3HZ   LYS  20          3HZ       LYS  20 -19.453  -9.226   6.065
  176    H    THR  21           H        THR  21 -11.986 -13.021   5.795
  177    HA   THR  21           HA       THR  21 -11.838 -11.679   8.457
  178    HB   THR  21           HB       THR  21 -10.233 -14.132   7.672
  179    HG1  THR  21           1HG      THR  21 -12.570 -13.844   9.247
  180   1HG2  THR  21          1HG2      THR  21  -9.122 -12.708   9.306
  181   2HG2  THR  21          2HG2      THR  21  -9.711 -14.165  10.104
  182   3HG2  THR  21          3HG2      THR  21 -10.588 -12.645  10.286
  183    H    TRP  22           H        TRP  22  -9.939 -10.414   8.709
  184    HA   TRP  22           HA       TRP  22  -8.407  -9.911   6.190
  185   1HB   TRP  22          2HB       TRP  22  -8.915  -8.287   8.711
  186   2HB   TRP  22          1HB       TRP  22  -7.889  -7.743   7.385
  187    HD1  TRP  22           HD       TRP  22 -11.539  -8.770   8.071
  188    HE1  TRP  22           1HE      TRP  22 -13.057  -7.584   6.359
  189    HE3  TRP  22           3HE      TRP  22  -7.997  -6.500   5.173
  190    HZ2  TRP  22           2HZ      TRP  22 -12.805  -5.896   4.066
  191    HZ3  TRP  22           3HZ      TRP  22  -8.665  -5.109   3.232
  192    HH2  TRP  22           HH       TRP  22 -11.061  -4.806   2.675
  193    H    ARG  23           H        ARG  23  -6.308 -10.634   6.147
  194    HA   ARG  23           HA       ARG  23  -5.035 -11.477   8.713
  195   1HB   ARG  23          2HB       ARG  23  -5.130 -12.405   5.959
  196   2HB   ARG  23          1HB       ARG  23  -3.465 -12.257   6.519
  197   1HG   ARG  23          2HG       ARG  23  -5.342 -13.485   8.451
  198   2HG   ARG  23          1HG       ARG  23  -5.042 -14.431   6.993
  199   1HD   ARG  23          2HD       ARG  23  -2.950 -14.982   7.688
  200   2HD   ARG  23          1HD       ARG  23  -2.572 -13.295   8.082
  201    HE   ARG  23           HE       ARG  23  -3.334 -13.667  10.302
  202   1HH1  ARG  23          1HH2      ARG  23  -4.153 -16.321   8.203
  203   2HH1  ARG  23          2HH2      ARG  23  -4.669 -17.340   9.500
  204   1HH2  ARG  23          1HH1      ARG  23  -4.015 -15.004  11.981
  205   2HH2  ARG  23          2HH1      ARG  23  -4.593 -16.599  11.632
  206    HA   PRO  24           HA       PRO  24  -2.283  -8.042   8.551
  207   1HB   PRO  24          2HB       PRO  24  -0.247  -9.041  10.083
  208   2HB   PRO  24          1HB       PRO  24  -1.798  -8.504  10.758
  209   1HG   PRO  24          2HG       PRO  24  -0.839 -11.259  10.180
  210   2HG   PRO  24          1HG       PRO  24  -1.806 -10.660  11.537
  211   1HD   PRO  24          2HD       PRO  24  -2.854 -12.000   9.403
  212   2HD   PRO  24          1HD       PRO  24  -3.769 -10.832  10.380
  213    H    ARG  25           H        ARG  25  -0.538  -7.351   7.317
  214    HA   ARG  25           HA       ARG  25   1.283  -9.364   6.062
  215   1HB   ARG  25          2HB       ARG  25  -0.766  -7.587   4.800
  216   2HB   ARG  25          1HB       ARG  25   0.761  -7.800   3.942
  217   1HG   ARG  25          2HG       ARG  25   0.445 -10.102   3.680
  218   2HG   ARG  25          1HG       ARG  25  -0.704 -10.198   5.014
  219   1HD   ARG  25          2HD       ARG  25  -1.663  -8.375   2.966
  220   2HD   ARG  25          1HD       ARG  25  -1.348  -9.980   2.290
  221    HE   ARG  25           HE       ARG  25  -3.231  -9.378   4.507
  222   1HH1  ARG  25          1HH2      ARG  25  -1.574 -11.768   2.621
  223   2HH1  ARG  25          2HH2      ARG  25  -2.839 -12.934   2.757
  224   1HH2  ARG  25          1HH1      ARG  25  -4.875 -10.893   4.674
  225   2HH2  ARG  25          2HH1      ARG  25  -4.698 -12.447   3.926
  226    H    TYR  26           H        TYR  26   3.355  -8.462   5.575
  227    HA   TYR  26           HA       TYR  26   3.950  -5.895   6.892
  228   1HB   TYR  26          2HB       TYR  26   5.368  -7.990   6.993
  229   2HB   TYR  26          1HB       TYR  26   5.750  -7.744   5.291
  230    HD1  TYR  26           1HD      TYR  26   8.166  -7.545   5.892
  231    HD2  TYR  26           2HD      TYR  26   5.227  -4.794   7.396
  232    HE1  TYR  26           1HE      TYR  26   9.965  -5.957   6.516
  233    HE2  TYR  26           2HE      TYR  26   7.025  -3.209   8.013
  234    HH   TYR  26           HH       TYR  26   9.754  -3.667   8.597
  235    H    PHE  27           H        PHE  27   3.662  -4.013   5.780
  236    HA   PHE  27           HA       PHE  27   3.825  -4.020   2.800
  237   1HB   PHE  27          2HB       PHE  27   2.548  -2.337   4.938
  238   2HB   PHE  27          1HB       PHE  27   2.853  -1.622   3.357
  239    HD1  PHE  27           1HD      PHE  27   1.409  -4.743   4.871
  240    HD2  PHE  27           2HD      PHE  27   1.238  -1.861   1.694
  241    HE1  PHE  27           1HE      PHE  27  -0.623  -5.846   3.979
  242    HE2  PHE  27           2HE      PHE  27  -0.792  -2.965   0.798
  243    HZ   PHE  27           HZ       PHE  27  -1.724  -4.959   1.941
  244    H    LEU  28           H        LEU  28   5.185  -2.513   1.714
  245    HA   LEU  28           HA       LEU  28   7.130  -0.984   3.397
  246   1HB   LEU  28          2HB       LEU  28   7.557  -3.373   1.801
  247   2HB   LEU  28          1HB       LEU  28   8.546  -2.042   1.203
  248    HG   LEU  28           HG       LEU  28   8.662  -1.964   4.047
  249   1HD1  LEU  28          1HD1      LEU  28   7.936  -4.455   3.589
  250   2HD1  LEU  28          2HD1      LEU  28   9.238  -4.115   4.728
  251   3HD1  LEU  28          3HD1      LEU  28   9.617  -4.645   3.089
  252   1HD2  LEU  28          1HD2      LEU  28  10.734  -2.961   2.068
  253   2HD2  LEU  28          2HD2      LEU  28  11.040  -2.238   3.647
  254   3HD2  LEU  28          3HD2      LEU  28  10.377  -1.255   2.341
  255    H    LEU  29           H        LEU  29   7.119   1.089   2.685
  256    HA   LEU  29           HA       LEU  29   6.191   1.716  -0.079
  257   1HB   LEU  29          2HB       LEU  29   5.116   2.880   1.770
  258   2HB   LEU  29          1HB       LEU  29   6.679   3.330   2.450
  259    HG   LEU  29           HG       LEU  29   7.153   4.721   0.468
  260   1HD1  LEU  29          1HD1      LEU  29   5.376   5.112  -1.200
  261   2HD1  LEU  29          2HD1      LEU  29   4.351   3.927  -0.391
  262   3HD1  LEU  29          3HD1      LEU  29   5.845   3.412  -1.174
  263   1HD2  LEU  29          1HD2      LEU  29   5.423   6.454   0.883
  264   2HD2  LEU  29          2HD2      LEU  29   6.007   5.748   2.389
  265   3HD2  LEU  29          3HD2      LEU  29   4.445   5.258   1.734
  266    H    LYS  30           H        LYS  30   7.679   2.348  -1.623
  267    HA   LYS  30           HA       LYS  30  10.498   2.798  -0.705
  268   1HB   LYS  30          2HB       LYS  30   9.287   1.792  -3.295
  269   2HB   LYS  30          1HB       LYS  30  11.014   2.045  -3.048
  270   1HG   LYS  30          2HG       LYS  30  10.081   0.534  -0.829
  271   2HG   LYS  30          1HG       LYS  30   9.413  -0.217  -2.279
  272   1HD   LYS  30          2HD       LYS  30  11.619  -0.405  -3.270
  273   2HD   LYS  30          1HD       LYS  30  12.337   0.511  -1.943
  274   1HE   LYS  30          2HE       LYS  30  12.513  -1.357  -0.668
  275   2HE   LYS  30          1HE       LYS  30  10.807  -1.765  -0.938
  276   1HZ   LYS  30          1HZ       LYS  30  12.945  -2.170  -2.961
  277   2HZ   LYS  30          2HZ       LYS  30  11.334  -2.704  -3.048
  278   3HZ   LYS  30          3HZ       LYS  30  12.401  -3.390  -1.917
  279    H    SER  31           H        SER  31  11.770   4.187  -2.354
  280    HA   SER  31           HA       SER  31  10.558   6.825  -2.499
  281   1HB   SER  31          2HB       SER  31  13.007   6.096  -2.122
  282   2HB   SER  31          1HB       SER  31  13.082   5.886  -3.870
  283    HG   SER  31           HG       SER  31  12.532   8.059  -4.108
  284    H    ASP  32           H        ASP  32  10.158   4.169  -4.535
  285    HA   ASP  32           HA       ASP  32  10.258   5.555  -7.112
  286   1HB   ASP  32          2HB       ASP  32  10.727   3.172  -6.911
  287   2HB   ASP  32          1HB       ASP  32   9.165   2.892  -6.145
  288    H    GLY  33           H        GLY  33   7.993   5.323  -4.524
  289   1HA   GLY  33          2HA       GLY  33   5.987   6.651  -4.433
  290   2HA   GLY  33          1HA       GLY  33   5.938   6.657  -6.196
  291    H    SER  34           H        SER  34   6.467   3.778  -4.212
  292    HA   SER  34           HA       SER  34   3.681   2.858  -4.585
  293   1HB   SER  34          2HB       SER  34   4.593   2.343  -6.739
  294   2HB   SER  34          1HB       SER  34   6.102   1.763  -6.042
  295    HG   SER  34           HG       SER  34   5.171  -0.088  -5.551
  296    H    PHE  35           H        PHE  35   3.185   1.118  -3.182
  297    HA   PHE  35           HA       PHE  35   5.436   0.045  -1.533
  298   1HB   PHE  35          2HB       PHE  35   4.042   0.355   0.478
  299   2HB   PHE  35          1HB       PHE  35   4.323   1.889  -0.333
  300    HD1  PHE  35           1HD      PHE  35   1.847  -0.594   0.655
  301    HD2  PHE  35           2HD      PHE  35   2.501   2.955  -1.672
  302    HE1  PHE  35           1HE      PHE  35  -0.602  -0.214   0.551
  303    HE2  PHE  35           2HE      PHE  35   0.051   3.333  -1.783
  304    HZ   PHE  35           HZ       PHE  35  -1.499   1.749  -0.670
  305    H    ILE  36           H        ILE  36   5.279  -2.142  -1.096
  306    HA   ILE  36           HA       ILE  36   2.873  -3.548  -2.217
  307    HB   ILE  36           HB       ILE  36   5.815  -4.260  -1.997
  308   1HG1  ILE  36          2HG1      ILE  36   5.173  -4.622  -4.573
  309   2HG1  ILE  36          1HG1      ILE  36   3.923  -3.448  -4.166
  310   1HG2  ILE  36          1HG2      ILE  36   3.752  -6.036  -3.287
  311   2HG2  ILE  36          2HG2      ILE  36   4.091  -6.182  -1.562
  312   3HG2  ILE  36          3HG2      ILE  36   5.378  -6.444  -2.739
  313   1HD1  ILE  36          1HD1      ILE  36   5.413  -1.757  -4.106
  314   2HD1  ILE  36          2HD1      ILE  36   6.574  -2.871  -4.827
  315   3HD1  ILE  36          3HD1      ILE  36   6.512  -2.675  -3.076
  316    H    GLY  37           H        GLY  37   1.817  -5.039  -0.934
  317   1HA   GLY  37          2HA       GLY  37   2.666  -5.220   1.915
  318   2HA   GLY  37          1HA       GLY  37   1.046  -5.560   1.308
  319    H    TYR  38           H        TYR  38   3.921  -6.971   2.301
  320    HA   TYR  38           HA       TYR  38   3.643  -9.438   0.674
  321   1HB   TYR  38          2HB       TYR  38   5.687  -7.989   2.061
  322   2HB   TYR  38          1HB       TYR  38   5.579  -9.593   2.782
  323    HD1  TYR  38           1HD      TYR  38   6.564  -7.668  -0.133
  324    HD2  TYR  38           2HD      TYR  38   5.776 -11.633   1.322
  325    HE1  TYR  38           1HE      TYR  38   7.789  -8.621  -2.066
  326    HE2  TYR  38           2HE      TYR  38   6.999 -12.585  -0.614
  327    HH   TYR  38           HH       TYR  38   7.751 -10.851  -3.344
  328    H    LYS  39           H        LYS  39   3.258 -11.514   1.693
  329    HA   LYS  39           HA       LYS  39   1.289 -11.589   3.768
  330   1HB   LYS  39          2HB       LYS  39   1.855 -14.048   3.759
  331   2HB   LYS  39          1HB       LYS  39   1.554 -13.386   2.157
  332   1HG   LYS  39          2HG       LYS  39   3.653 -13.859   1.469
  333   2HG   LYS  39          1HG       LYS  39   4.363 -13.144   2.913
  334   1HD   LYS  39          2HD       LYS  39   4.750 -15.181   3.778
  335   2HD   LYS  39          1HD       LYS  39   3.041 -15.595   3.635
  336   1HE   LYS  39          2HE       LYS  39   4.099 -15.686   0.999
  337   2HE   LYS  39          1HE       LYS  39   5.245 -16.553   2.039
  338   1HZ   LYS  39          1HZ       LYS  39   3.544 -17.917   2.885
  339   2HZ   LYS  39          2HZ       LYS  39   3.272 -17.880   1.209
  340   3HZ   LYS  39          3HZ       LYS  39   2.312 -16.939   2.248
  341    H    GLU  40           H        GLU  40   4.793 -11.591   3.882
  342    HA   GLU  40           HA       GLU  40   4.785 -11.182   6.794
  343   1HB   GLU  40          2HB       GLU  40   4.784 -13.758   5.929
  344   2HB   GLU  40          1HB       GLU  40   6.515 -13.430   5.860
  345   1HG   GLU  40          2HG       GLU  40   6.711 -13.267   8.135
  346   2HG   GLU  40          1HG       GLU  40   5.128 -12.514   8.320
  347    H    ARG  41           H        ARG  41   7.564 -11.618   7.183
  348    HA   ARG  41           HA       ARG  41   8.718  -9.308   5.852
  349   1HB   ARG  41          2HB       ARG  41   9.507 -11.399   7.829
  350   2HB   ARG  41          1HB       ARG  41  10.819 -10.562   7.000
  351   1HG   ARG  41          2HG       ARG  41  10.311  -8.524   7.949
  352   2HG   ARG  41          1HG       ARG  41   8.591  -8.888   8.067
  353   1HD   ARG  41          2HD       ARG  41   9.705  -8.819  10.314
  354   2HD   ARG  41          1HD       ARG  41   9.025 -10.417   9.956
  355    HE   ARG  41           HE       ARG  41  11.221 -11.273   9.805
  356   1HH1  ARG  41          1HH2      ARG  41  11.238  -7.795   9.636
  357   2HH1  ARG  41          2HH2      ARG  41  12.962  -7.684   9.674
  358   1HH2  ARG  41          1HH1      ARG  41  13.468 -11.110   9.849
  359   2HH2  ARG  41          2HH1      ARG  41  14.221  -9.552   9.790
  360    HA   PRO  42           HA       PRO  42   9.861 -11.901   2.341
  361   1HB   PRO  42          2HB       PRO  42  10.285  -9.855   0.591
  362   2HB   PRO  42          1HB       PRO  42   8.671 -10.466   0.992
  363   1HG   PRO  42          2HG       PRO  42  10.017  -7.989   1.865
  364   2HG   PRO  42          1HG       PRO  42   8.294  -8.325   1.649
  365   1HD   PRO  42          2HD       PRO  42   9.681  -8.245   4.083
  366   2HD   PRO  42          1HD       PRO  42   8.047  -8.887   3.821
  367    H    GLU  43           H        GLU  43  11.875 -12.431   1.413
  368    HA   GLU  43           HA       GLU  43  14.180 -10.672   1.474
  369   1HB   GLU  43          2HB       GLU  43  13.493 -12.058   3.856
  370   2HB   GLU  43          1HB       GLU  43  14.905 -12.882   3.192
  371   1HG   GLU  43          2HG       GLU  43  15.995 -10.611   2.939
  372   2HG   GLU  43          1HG       GLU  43  14.644  -9.937   3.851
  373    H    ALA  44           H        ALA  44  13.264 -14.140   1.633
  374    HA   ALA  44           HA       ALA  44  13.797 -15.944   0.213
  375   1HB   ALA  44          1HB       ALA  44  14.959 -14.265  -1.906
  376   2HB   ALA  44          2HB       ALA  44  13.375 -13.709  -1.366
  377   3HB   ALA  44          3HB       ALA  44  13.573 -15.352  -1.973
  378    HA   PRO  45           HA       PRO  45  18.102 -16.751   0.664
  379   1HB   PRO  45          2HB       PRO  45  18.709 -18.309  -1.508
  380   2HB   PRO  45          1HB       PRO  45  17.749 -18.893  -0.134
  381   1HG   PRO  45          2HG       PRO  45  16.847 -17.959  -2.811
  382   2HG   PRO  45          1HG       PRO  45  16.232 -19.285  -1.810
  383   1HD   PRO  45          2HD       PRO  45  15.006 -16.856  -2.011
  384   2HD   PRO  45          1HD       PRO  45  14.879 -17.906  -0.584
  385    H    ASP  46           H        ASP  46  17.338 -15.907  -2.738
  386    HA   ASP  46           HA       ASP  46  19.693 -14.052  -2.733
  387   1HB   ASP  46          2HB       ASP  46  19.801 -16.390  -3.974
  388   2HB   ASP  46          1HB       ASP  46  18.831 -15.560  -5.190
  389    H    GLN  47           H        GLN  47  16.903 -14.947  -4.823
  390    HA   GLN  47           HA       GLN  47  15.641 -12.336  -4.521
  391   1HB   GLN  47          2HB       GLN  47  17.789 -12.481  -6.269
  392   2HB   GLN  47          1HB       GLN  47  16.403 -12.699  -7.339
  393   1HG   GLN  47          2HG       GLN  47  16.268 -10.542  -5.268
  394   2HG   GLN  47          1HG       GLN  47  17.255 -10.265  -6.703
  395   1HE2  GLN  47          1HE2      GLN  47  13.944 -10.666  -5.549
  396   2HE2  GLN  47          2HE2      GLN  47  13.192 -10.284  -7.021
  397    H    THR  48           H        THR  48  14.682 -14.963  -4.187
  398    HA   THR  48           HA       THR  48  12.826 -15.286  -6.519
  399    HB   THR  48           HB       THR  48  14.552 -17.064  -6.154
  400    HG1  THR  48           1HG      THR  48  13.015 -18.167  -7.023
  401   1HG2  THR  48          1HG2      THR  48  15.002 -17.778  -4.078
  402   2HG2  THR  48          2HG2      THR  48  13.360 -18.405  -3.940
  403   3HG2  THR  48          3HG2      THR  48  13.717 -16.752  -3.443
  404    H    LEU  49           H        LEU  49  11.899 -13.494  -4.902
  405    HA   LEU  49           HA       LEU  49  10.079 -14.858  -2.943
  406   1HB   LEU  49          2HB       LEU  49  10.007 -12.535  -1.897
  407   2HB   LEU  49          1HB       LEU  49  11.571 -13.340  -1.825
  408    HG   LEU  49           HG       LEU  49  11.208 -11.745  -4.268
  409   1HD1  LEU  49          1HD1      LEU  49  11.779  -9.654  -2.686
  410   2HD1  LEU  49          2HD1      LEU  49  10.742 -10.550  -1.577
  411   3HD1  LEU  49          3HD1      LEU  49  10.126 -10.049  -3.152
  412   1HD2  LEU  49          1HD2      LEU  49  13.278 -11.818  -2.049
  413   2HD2  LEU  49          2HD2      LEU  49  13.455 -10.927  -3.560
  414   3HD2  LEU  49          3HD2      LEU  49  13.364 -12.687  -3.581
  415    HA   PRO  50           HA       PRO  50   7.029 -13.490  -5.928
  416   1HB   PRO  50          2HB       PRO  50   4.955 -14.930  -4.884
  417   2HB   PRO  50          1HB       PRO  50   6.215 -15.652  -5.903
  418   1HG   PRO  50          2HG       PRO  50   5.838 -15.802  -2.975
  419   2HG   PRO  50          1HG       PRO  50   6.541 -16.983  -4.088
  420   1HD   PRO  50          2HD       PRO  50   7.964 -15.280  -2.399
  421   2HD   PRO  50          1HD       PRO  50   8.630 -16.171  -3.783
  422    HA   PRO  51           HA       PRO  51   5.371 -10.279  -3.279
  423   1HB   PRO  51          2HB       PRO  51   4.088  -8.875  -5.246
  424   2HB   PRO  51          1HB       PRO  51   5.841  -8.795  -4.986
  425   1HG   PRO  51          2HG       PRO  51   4.298 -10.307  -7.024
  426   2HG   PRO  51          1HG       PRO  51   5.859  -9.487  -7.168
  427   1HD   PRO  51          2HD       PRO  51   5.566 -12.199  -6.887
  428   2HD   PRO  51          1HD       PRO  51   7.021 -11.297  -6.410
  429    H    LEU  52           H        LEU  52   3.384 -10.042  -2.226
  430    HA   LEU  52           HA       LEU  52   1.184 -11.854  -3.071
  431   1HB   LEU  52          2HB       LEU  52   2.182 -11.805  -0.753
  432   2HB   LEU  52          1HB       LEU  52   1.534 -10.176  -0.566
  433    HG   LEU  52           HG       LEU  52  -0.749 -11.048  -0.975
  434   1HD1  LEU  52          1HD1      LEU  52   0.812 -13.513  -1.531
  435   2HD1  LEU  52          2HD1      LEU  52  -0.728 -12.980  -2.204
  436   3HD1  LEU  52          3HD1      LEU  52  -0.676 -13.736  -0.611
  437   1HD2  LEU  52          1HD2      LEU  52   1.000 -11.966   1.245
  438   2HD2  LEU  52          2HD2      LEU  52  -0.589 -12.721   1.131
  439   3HD2  LEU  52          3HD2      LEU  52  -0.450 -10.971   1.293
  440    H    ASN  53           H        ASN  53   1.584  -8.418  -2.069
  441    HA   ASN  53           HA       ASN  53  -0.699  -7.702  -3.864
  442   1HB   ASN  53          2HB       ASN  53  -0.681  -7.852  -0.983
  443   2HB   ASN  53          1HB       ASN  53  -0.900  -6.172  -1.472
  444   1HD2  ASN  53          1HD2      ASN  53  -2.114  -9.410  -2.568
  445   2HD2  ASN  53          2HD2      ASN  53  -3.719  -8.893  -2.758
  446    H    ASN  54           H        ASN  54  -0.181  -5.871  -5.040
  447    HA   ASN  54           HA       ASN  54   2.067  -4.169  -4.013
  448   1HB   ASN  54          2HB       ASN  54   2.758  -3.921  -6.290
  449   2HB   ASN  54          1HB       ASN  54   2.387  -5.631  -6.088
  450   1HD2  ASN  54          1HD2      ASN  54   1.768  -2.944  -8.068
  451   2HD2  ASN  54          2HD2      ASN  54   0.383  -3.530  -8.852
  452    H    PHE  55           H        PHE  55   1.727  -1.963  -3.913
  453    HA   PHE  55           HA       PHE  55  -0.882  -0.900  -4.960
  454   1HB   PHE  55          2HB       PHE  55   0.500  -0.657  -2.291
  455   2HB   PHE  55          1HB       PHE  55  -0.619   0.592  -2.823
  456    HD1  PHE  55           1HD      PHE  55  -2.953   0.288  -2.655
  457    HD2  PHE  55           2HD      PHE  55  -0.331  -3.085  -2.223
  458    HE1  PHE  55           1HE      PHE  55  -4.867  -1.106  -1.927
  459    HE2  PHE  55           2HE      PHE  55  -2.248  -4.482  -1.499
  460    HZ   PHE  55           HZ       PHE  55  -4.517  -3.491  -1.350
  461    H    SER  56           H        SER  56  -0.467   0.709  -6.430
  462    HA   SER  56           HA       SER  56   2.138   2.170  -6.292
  463   1HB   SER  56          2HB       SER  56   1.041   2.850  -8.675
  464   2HB   SER  56          1HB       SER  56   1.988   1.384  -8.450
  465    HG   SER  56           HG       SER  56  -0.303   1.345  -9.402
  466    H    VAL  57           H        VAL  57   2.060   4.216  -5.446
  467    HA   VAL  57           HA       VAL  57  -0.564   5.557  -5.128
  468    HB   VAL  57           HB       VAL  57   1.431   5.207  -3.423
  469   1HG1  VAL  57          1HG1      VAL  57   3.136   6.771  -3.431
  470   2HG1  VAL  57          2HG1      VAL  57   2.181   7.965  -4.310
  471   3HG1  VAL  57          3HG1      VAL  57   2.885   6.596  -5.167
  472   1HG2  VAL  57          1HG2      VAL  57  -0.649   6.322  -2.853
  473   2HG2  VAL  57          2HG2      VAL  57  -0.160   7.770  -3.734
  474   3HG2  VAL  57          3HG2      VAL  57   0.692   7.303  -2.263
  475    H    ALA  58           H        ALA  58   1.856   5.564  -7.495
  476    HA   ALA  58           HA       ALA  58   2.075   8.372  -8.107
  477   1HB   ALA  58          1HB       ALA  58   2.619   7.267 -10.438
  478   2HB   ALA  58          2HB       ALA  58   2.499   5.755  -9.539
  479   3HB   ALA  58          3HB       ALA  58   3.692   6.966  -9.071
  480    H    GLU  59           H        GLU  59   0.437   9.675  -8.831
  481    HA   GLU  59           HA       GLU  59  -1.619  10.349  -9.775
  482   1HB   GLU  59          2HB       GLU  59  -0.644   8.128 -11.601
  483   2HB   GLU  59          1HB       GLU  59  -2.052   9.114 -11.988
  484   1HG   GLU  59          2HG       GLU  59  -0.275  11.067 -11.363
  485   2HG   GLU  59          1HG       GLU  59   0.822   9.844 -12.004
  486    H    CYS  60           H        CYS  60  -3.169   7.935 -11.234
  487    HA   CYS  60           HA       CYS  60  -4.951   6.514 -10.635
  488   1HB   CYS  60          2HB       CYS  60  -2.690   6.061  -8.775
  489   2HB   CYS  60          1HB       CYS  60  -4.239   5.433  -8.220
  490    H    GLN  61           H        GLN  61  -6.059   5.927  -8.096
  491    HA   GLN  61           HA       GLN  61  -6.763   8.590  -6.927
  492   1HB   GLN  61          2HB       GLN  61  -8.309   7.772  -8.808
  493   2HB   GLN  61          1HB       GLN  61  -8.787   6.476  -7.711
  494   1HG   GLN  61          2HG       GLN  61  -8.844   9.086  -6.402
  495   2HG   GLN  61          1HG       GLN  61  -9.900   9.033  -7.815
  496   1HE2  GLN  61          1HE2      GLN  61  -9.564   7.987  -4.523
  497   2HE2  GLN  61          2HE2      GLN  61 -10.955   7.017  -4.470
  498    H    LEU  62           H        LEU  62  -6.799   8.467  -4.707
  499    HA   LEU  62           HA       LEU  62  -7.056   5.756  -3.433
  500   1HB   LEU  62          2HB       LEU  62  -4.761   6.746  -3.439
  501   2HB   LEU  62          1HB       LEU  62  -5.391   8.149  -2.575
  502    HG   LEU  62           HG       LEU  62  -6.265   5.805  -1.190
  503   1HD1  LEU  62          1HD1      LEU  62  -3.890   5.249  -2.537
  504   2HD1  LEU  62          2HD1      LEU  62  -4.506   4.392  -1.125
  505   3HD1  LEU  62          3HD1      LEU  62  -3.359   5.716  -0.921
  506   1HD2  LEU  62          1HD2      LEU  62  -4.793   6.824   0.606
  507   2HD2  LEU  62          2HD2      LEU  62  -5.963   7.935  -0.103
  508   3HD2  LEU  62          3HD2      LEU  62  -4.270   8.007  -0.592
  509    H    MET  63           H        MET  63  -8.604   5.616  -1.841
  510    HA   MET  63           HA       MET  63  -9.645   8.125  -0.595
  511   1HB   MET  63          2HB       MET  63 -11.110   7.714  -2.452
  512   2HB   MET  63          1HB       MET  63 -11.166   5.985  -2.111
  513   1HG   MET  63          2HG       MET  63 -12.682   6.230  -0.400
  514   2HG   MET  63          1HG       MET  63 -12.057   7.810   0.070
  515   1HE   MET  63          1HE       MET  63 -15.239   6.498  -0.710
  516   2HE   MET  63          2HE       MET  63 -15.895   8.125  -0.879
  517   3HE   MET  63          3HE       MET  63 -14.746   7.776   0.411
  518    H    LYS  64           H        LYS  64  -9.855   7.841   1.595
  519    HA   LYS  64           HA       LYS  64  -9.433   5.175   2.775
  520   1HB   LYS  64          2HB       LYS  64  -9.295   6.437   4.852
  521   2HB   LYS  64          1HB       LYS  64  -8.414   7.324   3.611
  522   1HG   LYS  64          2HG       LYS  64 -10.768   8.499   3.248
  523   2HG   LYS  64          1HG       LYS  64 -11.032   7.977   4.911
  524   1HD   LYS  64          2HD       LYS  64  -8.725   9.021   5.414
  525   2HD   LYS  64          1HD       LYS  64  -8.884   9.814   3.848
  526   1HE   LYS  64          2HE       LYS  64  -9.739  11.332   5.552
  527   2HE   LYS  64          1HE       LYS  64 -11.125  10.716   4.634
  528   1HZ   LYS  64          1HZ       LYS  64 -11.785   9.378   6.331
  529   2HZ   LYS  64          2HZ       LYS  64 -11.024  10.574   7.266
  530   3HZ   LYS  64          3HZ       LYS  64 -10.212   9.124   6.914
  531    H    THR  65           H        THR  65 -10.990   4.161   4.215
  532    HA   THR  65           HA       THR  65 -13.768   5.228   4.198
  533    HB   THR  65           HB       THR  65 -13.793   3.972   2.190
  534    HG1  THR  65           1HG      THR  65 -15.114   2.274   2.680
  535   1HG2  THR  65          1HG2      THR  65 -11.892   2.191   3.660
  536   2HG2  THR  65          2HG2      THR  65 -11.782   2.837   2.024
  537   3HG2  THR  65          3HG2      THR  65 -12.866   1.491   2.369
  538    H    GLU  66           H        GLU  66 -15.207   3.522   5.453
  539    HA   GLU  66           HA       GLU  66 -13.632   2.413   7.757
  540   1HB   GLU  66          2HB       GLU  66 -16.329   3.808   7.820
  541   2HB   GLU  66          1HB       GLU  66 -15.386   3.285   9.216
  542   1HG   GLU  66          2HG       GLU  66 -13.645   4.872   7.663
  543   2HG   GLU  66          1HG       GLU  66 -15.179   5.739   7.705
  544    H    ARG  67           H        ARG  67 -14.719   1.079   5.315
  545    HA   ARG  67           HA       ARG  67 -16.424  -0.949   6.696
  546   1HB   ARG  67          2HB       ARG  67 -17.056   0.834   4.416
  547   2HB   ARG  67          1HB       ARG  67 -17.488  -0.859   4.172
  548   1HG   ARG  67          2HG       ARG  67 -19.210  -0.723   5.622
  549   2HG   ARG  67          1HG       ARG  67 -18.207   0.055   6.846
  550   1HD   ARG  67          2HD       ARG  67 -18.866   1.794   4.542
  551   2HD   ARG  67          1HD       ARG  67 -20.256   1.315   5.535
  552    HE   ARG  67           HE       ARG  67 -17.835   2.228   6.983
  553   1HH1  ARG  67          1HH2      ARG  67 -21.043   2.911   5.808
  554   2HH1  ARG  67          2HH2      ARG  67 -21.294   4.212   6.917
  555   1HH2  ARG  67          1HH1      ARG  67 -18.177   3.927   8.410
  556   2HH2  ARG  67          2HH1      ARG  67 -19.678   4.791   8.382
  557    HA   PRO  68           HA       PRO  68 -17.245  -2.839   6.274
  558   1HB   PRO  68          2HB       PRO  68 -16.354  -5.234   7.245
  559   2HB   PRO  68          1HB       PRO  68 -17.121  -5.056   5.654
  560   1HG   PRO  68          2HG       PRO  68 -14.238  -5.295   6.350
  561   2HG   PRO  68          1HG       PRO  68 -15.131  -5.985   4.986
  562   1HD   PRO  68          2HD       PRO  68 -13.546  -3.775   4.787
  563   2HD   PRO  68          1HD       PRO  68 -14.940  -4.086   3.731
  564    H    ARG  69           H        ARG  69 -13.982  -2.228   7.116
  565    HA   ARG  69           HA       ARG  69 -14.711  -2.092  10.025
  566   1HB   ARG  69          2HB       ARG  69 -12.601  -3.480   8.591
  567   2HB   ARG  69          1HB       ARG  69 -11.917  -2.355   9.763
  568   1HG   ARG  69          2HG       ARG  69 -12.250  -4.108  11.197
  569   2HG   ARG  69          1HG       ARG  69 -13.882  -3.443  11.273
  570   1HD   ARG  69          2HD       ARG  69 -14.783  -5.152  10.012
  571   2HD   ARG  69          1HD       ARG  69 -13.308  -5.351   9.047
  572    HE   ARG  69           HE       ARG  69 -12.976  -6.051  11.877
  573   1HH1  ARG  69          1HH2      ARG  69 -13.851  -7.148   8.694
  574   2HH1  ARG  69          2HH2      ARG  69 -13.491  -8.804   9.036
  575   1HH2  ARG  69          1HH1      ARG  69 -12.509  -8.222  12.308
  576   2HH2  ARG  69          2HH1      ARG  69 -12.734  -9.410  11.071
  577    HA   PRO  70           HA       PRO  70 -13.498   2.127   9.850
  578   1HB   PRO  70          2HB       PRO  70 -12.303   2.493  12.288
  579   2HB   PRO  70          1HB       PRO  70 -14.057   2.309  12.082
  580   1HG   PRO  70          2HG       PRO  70 -12.031   0.296  12.931
  581   2HG   PRO  70          1HG       PRO  70 -13.670   0.572  13.539
  582   1HD   PRO  70          2HD       PRO  70 -13.049  -1.435  11.821
  583   2HD   PRO  70          1HD       PRO  70 -14.643  -0.650  11.857
  584    H    ASN  71           H        ASN  71 -11.648   3.551   9.628
  585    HA   ASN  71           HA       ASN  71  -9.460   4.085   8.960
  586   1HB   ASN  71          2HB       ASN  71  -9.372   2.336  11.281
  587   2HB   ASN  71          1HB       ASN  71  -7.936   2.118  10.282
  588   1HD2  ASN  71          1HD2      ASN  71  -9.937   4.801  11.654
  589   2HD2  ASN  71          2HD2      ASN  71  -8.615   5.829  11.933
  590    H    THR  72           H        THR  72 -10.508   2.950   6.885
  591    HA   THR  72           HA       THR  72  -8.764   0.635   6.100
  592    HB   THR  72           HB       THR  72 -11.545   1.499   5.253
  593    HG1  THR  72           1HG      THR  72 -10.458  -0.582   6.807
  594   1HG2  THR  72          1HG2      THR  72  -9.661  -0.565   4.139
  595   2HG2  THR  72          2HG2      THR  72 -10.674   0.589   3.273
  596   3HG2  THR  72          3HG2      THR  72 -11.404  -0.814   4.053
  597    H    PHE  73           H        PHE  73  -7.850   0.692   3.976
  598    HA   PHE  73           HA       PHE  73  -7.800   3.406   2.684
  599   1HB   PHE  73          2HB       PHE  73  -5.758   1.556   3.673
  600   2HB   PHE  73          1HB       PHE  73  -5.479   2.000   1.992
  601    HD1  PHE  73           1HD      PHE  73  -3.561   3.402   2.290
  602    HD2  PHE  73           2HD      PHE  73  -7.153   4.155   4.523
  603    HE1  PHE  73           1HE      PHE  73  -2.649   5.585   3.028
  604    HE2  PHE  73           2HE      PHE  73  -6.239   6.335   5.253
  605    HZ   PHE  73           HZ       PHE  73  -3.990   7.048   4.513
  606    H    VAL  74           H        VAL  74  -8.491   3.415   0.576
  607    HA   VAL  74           HA       VAL  74  -8.427   0.843  -0.974
  608    HB   VAL  74           HB       VAL  74 -10.633   2.916  -0.717
  609   1HG1  VAL  74          1HG1      VAL  74 -10.106   0.792  -2.736
  610   2HG1  VAL  74          2HG1      VAL  74 -10.971   2.319  -2.908
  611   3HG1  VAL  74          3HG1      VAL  74 -11.764   0.937  -2.153
  612   1HG2  VAL  74          1HG2      VAL  74 -10.142   0.882   0.976
  613   2HG2  VAL  74          2HG2      VAL  74 -11.049  -0.001  -0.252
  614   3HG2  VAL  74          3HG2      VAL  74 -11.780   1.382   0.560
  615    H    ILE  75           H        ILE  75  -7.470   1.105  -2.973
  616    HA   ILE  75           HA       ILE  75  -7.419   3.850  -4.170
  617    HB   ILE  75           HB       ILE  75  -5.274   3.546  -3.125
  618   1HG1  ILE  75          2HG1      ILE  75  -4.618   2.638  -5.908
  619   2HG1  ILE  75          1HG1      ILE  75  -5.477   4.163  -5.698
  620   1HG2  ILE  75          1HG2      ILE  75  -5.308   0.800  -4.407
  621   2HG2  ILE  75          2HG2      ILE  75  -5.269   1.180  -2.687
  622   3HG2  ILE  75          3HG2      ILE  75  -3.865   1.521  -3.697
  623   1HD1  ILE  75          1HD1      ILE  75  -3.721   5.108  -4.420
  624   2HD1  ILE  75          2HD1      ILE  75  -2.901   4.264  -5.733
  625   3HD1  ILE  75          3HD1      ILE  75  -2.977   3.536  -4.129
  626    H    ARG  76           H        ARG  76  -8.579   3.634  -6.048
  627    HA   ARG  76           HA       ARG  76  -8.028   1.219  -7.745
  628   1HB   ARG  76          2HB       ARG  76 -10.431   1.255  -8.332
  629   2HB   ARG  76          1HB       ARG  76 -10.209   1.087  -6.592
  630   1HG   ARG  76          2HG       ARG  76 -11.605   2.849  -6.375
  631   2HG   ARG  76          1HG       ARG  76 -10.284   3.846  -6.980
  632   1HD   ARG  76          2HD       ARG  76 -11.140   3.168  -9.348
  633   2HD   ARG  76          1HD       ARG  76 -12.633   2.717  -8.499
  634    HE   ARG  76           HE       ARG  76 -11.697   5.321  -7.643
  635   1HH1  ARG  76          1HH2      ARG  76 -13.363   3.625 -10.193
  636   2HH1  ARG  76          2HH2      ARG  76 -14.251   5.020 -10.698
  637   1HH2  ARG  76          1HH1      ARG  76 -12.863   7.123  -8.308
  638   2HH2  ARG  76          2HH1      ARG  76 -13.972   6.996  -9.633
  639    H    CYS  77           H        CYS  77  -7.773   1.618  -9.947
  640    HA   CYS  77           HA       CYS  77  -8.573   4.092 -11.243
  641   1HB   CYS  77          2HB       CYS  77  -6.104   4.773 -11.616
  642   2HB   CYS  77          1HB       CYS  77  -6.792   5.092 -10.026
  643    H    LEU  78           H        LEU  78  -9.365   2.531 -12.800
  644    HA   LEU  78           HA       LEU  78  -7.205   1.360 -14.521
  645   1HB   LEU  78          2HB       LEU  78  -9.534   0.113 -13.140
  646   2HB   LEU  78          1HB       LEU  78  -9.211  -0.444 -14.783
  647    HG   LEU  78           HG       LEU  78  -6.684  -0.396 -13.678
  648   1HD1  LEU  78          1HD1      LEU  78  -8.655  -1.348 -11.576
  649   2HD1  LEU  78          2HD1      LEU  78  -7.579   0.043 -11.437
  650   3HD1  LEU  78          3HD1      LEU  78  -6.909  -1.587 -11.509
  651   1HD2  LEU  78          1HD2      LEU  78  -7.010  -2.898 -13.520
  652   2HD2  LEU  78          2HD2      LEU  78  -7.523  -2.198 -15.057
  653   3HD2  LEU  78          3HD2      LEU  78  -8.725  -2.634 -13.840
  654    H    GLN  79           H        GLN  79 -10.705   1.030 -14.975
  655    HA   GLN  79           HA       GLN  79 -11.050   3.285 -16.755
  656   1HB   GLN  79          2HB       GLN  79  -9.594   1.085 -17.762
  657   2HB   GLN  79          1HB       GLN  79 -11.201   0.939 -18.471
  658   1HG   GLN  79          2HG       GLN  79 -11.087   3.212 -19.328
  659   2HG   GLN  79          1HG       GLN  79  -9.551   3.482 -18.504
  660   1HE2  GLN  79          1HE2      GLN  79 -10.735   2.851 -21.530
  661   2HE2  GLN  79          2HE2      GLN  79  -9.424   1.990 -22.179
  662    H    TRP  80           H        TRP  80 -12.119  -0.128 -16.972
  663    HA   TRP  80           HA       TRP  80 -14.836   0.651 -16.016
  664   1HB   TRP  80          2HB       TRP  80 -15.730  -0.620 -18.062
  665   2HB   TRP  80          1HB       TRP  80 -15.006   0.953 -18.384
  666    HD1  TRP  80           HD       TRP  80 -12.890   1.041 -19.866
  667    HE1  TRP  80           1HE      TRP  80 -11.512  -0.721 -21.143
  668    HE3  TRP  80           3HE      TRP  80 -14.923  -3.234 -17.946
  669    HZ2  TRP  80           2HZ      TRP  80 -11.301  -3.567 -21.330
  670    HZ3  TRP  80           3HZ      TRP  80 -14.116  -5.454 -18.692
  671    HH2  TRP  80           HH       TRP  80 -12.309  -5.626 -20.380
  672    H    THR  81           H        THR  81 -12.364  -1.293 -15.399
  673    HA   THR  81           HA       THR  81 -13.794  -3.890 -15.329
  674    HB   THR  81           HB       THR  81 -11.004  -3.138 -14.397
  675    HG1  THR  81           1HG      THR  81 -10.691  -2.797 -16.443
  676   1HG2  THR  81          1HG2      THR  81 -10.609  -5.577 -14.986
  677   2HG2  THR  81          2HG2      THR  81 -12.360  -5.741 -15.132
  678   3HG2  THR  81          3HG2      THR  81 -11.640  -5.300 -13.583
  679    H    THR  82           H        THR  82 -15.032  -4.341 -13.563
  680    HA   THR  82           HA       THR  82 -14.598  -2.874 -11.017
  681    HB   THR  82           HB       THR  82 -16.789  -4.115 -10.486
  682    HG1  THR  82           1HG      THR  82 -16.688  -5.770 -11.945
  683   1HG2  THR  82          1HG2      THR  82 -18.100  -2.668 -12.072
  684   2HG2  THR  82          2HG2      THR  82 -16.582  -2.266 -12.875
  685   3HG2  THR  82          3HG2      THR  82 -16.838  -1.804 -11.192
  686    H    VAL  83           H        VAL  83 -13.282  -3.799  -9.506
  687    HA   VAL  83           HA       VAL  83 -13.313  -6.782  -9.205
  688    HB   VAL  83           HB       VAL  83 -10.803  -6.476  -8.705
  689   1HG1  VAL  83          1HG1      VAL  83 -11.867  -5.913 -11.488
  690   2HG1  VAL  83          2HG1      VAL  83 -11.604  -7.504 -10.773
  691   3HG1  VAL  83          3HG1      VAL  83 -10.229  -6.456 -11.124
  692   1HG2  VAL  83          1HG2      VAL  83  -9.722  -4.497  -9.552
  693   2HG2  VAL  83          2HG2      VAL  83 -11.018  -3.955  -8.487
  694   3HG2  VAL  83          3HG2      VAL  83 -11.230  -3.894 -10.237
  695    H    ILE  84           H        ILE  84 -12.083  -7.304  -7.015
  696    HA   ILE  84           HA       ILE  84 -13.046  -5.368  -4.928
  697    HB   ILE  84           HB       ILE  84 -13.449  -7.419  -3.560
  698   1HG1  ILE  84          2HG1      ILE  84 -13.121  -9.114  -6.009
  699   2HG1  ILE  84          1HG1      ILE  84 -11.672  -8.689  -5.098
  700   1HG2  ILE  84          1HG2      ILE  84 -14.795  -7.773  -6.236
  701   2HG2  ILE  84          2HG2      ILE  84 -15.143  -6.377  -5.216
  702   3HG2  ILE  84          3HG2      ILE  84 -15.472  -8.006  -4.624
  703   1HD1  ILE  84          1HD1      ILE  84 -12.736 -10.843  -4.352
  704   2HD1  ILE  84          2HD1      ILE  84 -14.149  -9.913  -3.853
  705   3HD1  ILE  84          3HD1      ILE  84 -12.593  -9.641  -3.069
  706    H    GLU  85           H        GLU  85 -10.387  -5.301  -6.094
  707    HA   GLU  85           HA       GLU  85  -8.712  -6.288  -3.805
  708   1HB   GLU  85          2HB       GLU  85  -8.183  -5.896  -6.765
  709   2HB   GLU  85          1HB       GLU  85  -6.893  -6.205  -5.605
  710   1HG   GLU  85          2HG       GLU  85  -7.308  -8.406  -5.880
  711   2HG   GLU  85          1HG       GLU  85  -8.828  -8.144  -5.024
  712    H    ARG  86           H        ARG  86  -6.420  -4.804  -4.318
  713    HA   ARG  86           HA       ARG  86  -5.431  -2.704  -3.934
  714   1HB   ARG  86          2HB       ARG  86  -7.739  -2.301  -5.747
  715   2HB   ARG  86          1HB       ARG  86  -7.141  -0.844  -4.959
  716   1HG   ARG  86          2HG       ARG  86  -5.706  -0.856  -6.756
  717   2HG   ARG  86          1HG       ARG  86  -4.782  -1.911  -5.686
  718   1HD   ARG  86          2HD       ARG  86  -5.994  -3.884  -6.734
  719   2HD   ARG  86          1HD       ARG  86  -6.639  -2.753  -7.937
  720    HE   ARG  86           HE       ARG  86  -3.825  -3.588  -7.682
  721   1HH1  ARG  86          1HH2      ARG  86  -6.105  -1.282  -8.951
  722   2HH1  ARG  86          2HH2      ARG  86  -5.042  -0.739 -10.200
  723   1HH2  ARG  86          1HH1      ARG  86  -2.450  -2.875  -9.313
  724   2HH2  ARG  86          2HH1      ARG  86  -2.974  -1.641 -10.407
  725    H    THR  87           H        THR  87  -7.487  -3.828  -1.943
  726    HA   THR  87           HA       THR  87  -7.927  -1.262  -0.464
  727    HB   THR  87           HB       THR  87  -9.839  -3.576  -0.912
  728    HG1  THR  87           1HG      THR  87  -9.746  -0.854  -1.642
  729   1HG2  THR  87          1HG2      THR  87 -10.130  -2.982   1.378
  730   2HG2  THR  87          2HG2      THR  87 -11.399  -2.122   0.506
  731   3HG2  THR  87          3HG2      THR  87  -9.950  -1.262   1.030
  732    H    PHE  88           H        PHE  88  -7.270  -1.381   1.668
  733    HA   PHE  88           HA       PHE  88  -7.049  -4.027   2.989
  734   1HB   PHE  88          2HB       PHE  88  -4.715  -3.887   3.318
  735   2HB   PHE  88          1HB       PHE  88  -4.925  -3.339   1.658
  736    HD1  PHE  88           1HD      PHE  88  -4.532  -2.142   5.169
  737    HD2  PHE  88           2HD      PHE  88  -4.242  -1.164   0.997
  738    HE1  PHE  88           1HE      PHE  88  -3.446   0.004   5.747
  739    HE2  PHE  88           2HE      PHE  88  -3.149   0.987   1.582
  740    HZ   PHE  88           HZ       PHE  88  -2.751   1.567   3.962
  741    H    HIS  89           H        HIS  89  -6.620  -3.783   5.340
  742    HA   HIS  89           HA       HIS  89  -7.723  -1.205   6.417
  743   1HB   HIS  89          2HB       HIS  89  -7.772  -4.092   7.351
  744   2HB   HIS  89          1HB       HIS  89  -8.333  -2.755   8.350
  745    HD1  HIS  89           1HD      HIS  89 -10.710  -3.996   8.175
  746    HD2  HIS  89           2HD      HIS  89  -9.300  -2.329   4.628
  747    HE1  HIS  89           1HE      HIS  89 -12.699  -3.837   6.619
  748    H    VAL  90           H        VAL  90  -6.679  -0.335   8.343
  749    HA   VAL  90           HA       VAL  90  -3.842  -1.224   8.654
  750    HB   VAL  90           HB       VAL  90  -3.590   0.972   9.792
  751   1HG1  VAL  90          1HG1      VAL  90  -3.129   1.295   7.563
  752   2HG1  VAL  90          2HG1      VAL  90  -4.541   2.340   7.701
  753   3HG1  VAL  90          3HG1      VAL  90  -4.709   0.714   7.040
  754   1HG2  VAL  90          1HG2      VAL  90  -5.359   2.134  10.569
  755   2HG2  VAL  90          2HG2      VAL  90  -6.359   0.740  10.167
  756   3HG2  VAL  90          3HG2      VAL  90  -6.174   2.055   9.008
  757    H    ASP  91           H        ASP  91  -2.973  -1.568  10.803
  758    HA   ASP  91           HA       ASP  91  -4.891  -2.835  12.645
  759   1HB   ASP  91          2HB       ASP  91  -2.347  -3.363  11.880
  760   2HB   ASP  91          1HB       ASP  91  -2.025  -2.451  13.355
  761    H    SER  92           H        SER  92  -3.275   0.257  12.370
  762    HA   SER  92           HA       SER  92  -4.361   1.018  15.060
  763   1HB   SER  92          2HB       SER  92  -1.652   1.639  13.842
  764   2HB   SER  92          1HB       SER  92  -2.255   2.364  15.328
  765    HG   SER  92           HG       SER  92  -1.320  -0.193  14.819
  766    HA   PRO  93           HA       PRO  93  -6.016   4.491  12.897
  767   1HB   PRO  93          2HB       PRO  93  -5.963   6.393  14.876
  768   2HB   PRO  93          1HB       PRO  93  -7.148   5.070  14.836
  769   1HG   PRO  93          2HG       PRO  93  -4.623   5.298  16.409
  770   2HG   PRO  93          1HG       PRO  93  -6.208   4.681  16.906
  771   1HD   PRO  93          2HD       PRO  93  -4.160   3.044  16.252
  772   2HD   PRO  93          1HD       PRO  93  -5.858   2.618  15.937
  773    H    ASP  94           H        ASP  94  -3.047   4.930  14.787
  774    HA   ASP  94           HA       ASP  94  -2.124   7.325  13.457
  775   1HB   ASP  94          2HB       ASP  94  -1.473   6.068  15.709
  776   2HB   ASP  94          1HB       ASP  94  -0.303   5.262  14.663
  777    H    GLU  95           H        GLU  95  -1.839   3.842  12.800
  778    HA   GLU  95           HA       GLU  95   0.250   3.974  10.829
  779   1HB   GLU  95          2HB       GLU  95  -1.688   2.081  11.908
  780   2HB   GLU  95          1HB       GLU  95  -1.511   1.877  10.167
  781   1HG   GLU  95          2HG       GLU  95   0.297   0.611  10.738
  782   2HG   GLU  95          1HG       GLU  95   1.100   2.172  10.911
  783    H    ARG  96           H        ARG  96  -3.329   3.930  10.475
  784    HA   ARG  96           HA       ARG  96  -3.425   4.256   7.641
  785   1HB   ARG  96          2HB       ARG  96  -5.260   3.726   9.378
  786   2HB   ARG  96          1HB       ARG  96  -5.359   5.471   9.624
  787   1HG   ARG  96          2HG       ARG  96  -5.456   5.447   6.945
  788   2HG   ARG  96          1HG       ARG  96  -6.130   3.845   7.239
  789   1HD   ARG  96          2HD       ARG  96  -8.116   4.928   7.513
  790   2HD   ARG  96          1HD       ARG  96  -7.477   5.442   9.081
  791    HE   ARG  96           HE       ARG  96  -7.286   7.035   6.557
  792   1HH1  ARG  96          1HH2      ARG  96  -7.154   6.794  10.037
  793   2HH1  ARG  96          2HH2      ARG  96  -6.876   8.486  10.251
  794   1HH2  ARG  96          1HH1      ARG  96  -6.939   9.232   6.870
  795   2HH2  ARG  96          2HH1      ARG  96  -6.758   9.857   8.475
  796    H    GLU  97           H        GLU  97  -3.224   6.650  10.272
  797    HA   GLU  97           HA       GLU  97  -3.426   8.999   8.606
  798   1HB   GLU  97          2HB       GLU  97  -2.225   8.439  11.339
  799   2HB   GLU  97          1HB       GLU  97  -2.438  10.061  10.680
  800   1HG   GLU  97          2HG       GLU  97  -4.807   8.245  10.662
  801   2HG   GLU  97          1HG       GLU  97  -4.306   8.914  12.214
  802    H    GLU  98           H        GLU  98  -0.701   7.013   9.745
  803    HA   GLU  98           HA       GLU  98   1.411   8.730   8.804
  804   1HB   GLU  98          2HB       GLU  98   1.436   6.767  10.471
  805   2HB   GLU  98          1HB       GLU  98   1.482   5.715   9.053
  806   1HG   GLU  98          2HG       GLU  98   3.752   5.991   9.475
  807   2HG   GLU  98          1HG       GLU  98   3.467   7.291   8.319
  808    H    TRP  99           H        TRP  99  -0.353   5.996   7.299
  809    HA   TRP  99           HA       TRP  99   1.218   5.851   4.893
  810   1HB   TRP  99          2HB       TRP  99  -1.718   5.244   5.405
  811   2HB   TRP  99          1HB       TRP  99  -0.797   4.682   4.012
  812    HD1  TRP  99           HD       TRP  99  -2.053   3.280   6.949
  813    HE1  TRP  99           1HE      TRP  99  -0.573   1.428   7.941
  814    HE3  TRP  99           3HE      TRP  99   2.320   4.225   4.479
  815    HZ2  TRP  99           2HZ      TRP  99   2.105   0.460   7.715
  816    HZ3  TRP  99           3HZ      TRP  99   4.321   2.817   4.889
  817    HH2  TRP  99           HH       TRP  99   4.217   0.937   6.505
  818    H    MET 100           H        MET 100  -1.782   7.654   5.675
  819    HA   MET 100           HA       MET 100  -2.142   8.917   3.132
  820   1HB   MET 100          2HB       MET 100  -3.652   8.761   5.244
  821   2HB   MET 100          1HB       MET 100  -2.754  10.165   5.821
  822   1HG   MET 100          2HG       MET 100  -3.592  11.557   4.155
  823   2HG   MET 100          1HG       MET 100  -3.910  10.218   3.052
  824   1HE   MET 100          1HE       MET 100  -5.528   8.228   3.823
  825   2HE   MET 100          2HE       MET 100  -6.142   9.342   2.605
  826   3HE   MET 100          3HE       MET 100  -7.200   8.795   3.901
  827    H    ARG 101           H        ARG 101  -0.375   9.943   6.058
  828    HA   ARG 101           HA       ARG 101   0.564  12.478   5.101
  829   1HB   ARG 101          2HB       ARG 101   0.772  10.780   7.374
  830   2HB   ARG 101          1HB       ARG 101   2.420  11.154   6.874
  831   1HG   ARG 101          2HG       ARG 101   2.247  13.273   7.609
  832   2HG   ARG 101          1HG       ARG 101   0.729  13.512   6.744
  833   1HD   ARG 101          2HD       ARG 101   0.332  13.771   9.156
  834   2HD   ARG 101          1HD       ARG 101  -0.453  12.282   8.598
  835    HE   ARG 101           HE       ARG 101   1.306  10.990   9.619
  836   1HH1  ARG 101          1HH2      ARG 101   1.771  14.429   9.963
  837   2HH1  ARG 101          2HH2      ARG 101   2.946  14.258  11.219
  838   1HH2  ARG 101          1HH1      ARG 101   2.848  10.789  11.239
  839   2HH2  ARG 101          2HH1      ARG 101   3.558  12.207  11.936
  840    H    ALA 102           H        ALA 102   1.982   9.202   4.980
  841    HA   ALA 102           HA       ALA 102   4.475   9.953   3.746
  842   1HB   ALA 102          1HB       ALA 102   2.898   7.357   3.665
  843   2HB   ALA 102          2HB       ALA 102   4.006   7.830   4.954
  844   3HB   ALA 102          3HB       ALA 102   4.622   7.525   3.329
  845    H    ILE 103           H        ILE 103   1.342   8.847   2.425
  846    HA   ILE 103           HA       ILE 103   2.087   8.684  -0.327
  847    HB   ILE 103           HB       ILE 103  -0.497   9.274   1.148
  848   1HG1  ILE 103          2HG1      ILE 103   0.222   6.824  -0.459
  849   2HG1  ILE 103          1HG1      ILE 103   0.763   6.998   1.211
  850   1HG2  ILE 103          1HG2      ILE 103   0.066   9.137  -1.800
  851   2HG2  ILE 103          2HG2      ILE 103  -1.042  10.193  -0.924
  852   3HG2  ILE 103          3HG2      ILE 103  -1.461   8.500  -1.187
  853   1HD1  ILE 103          1HD1      ILE 103  -2.046   6.785   0.152
  854   2HD1  ILE 103          2HD1      ILE 103  -1.738   7.565   1.704
  855   3HD1  ILE 103          3HD1      ILE 103  -1.283   5.879   1.459
  856    H    GLN 104           H        GLN 104   0.900  11.429   1.628
  857    HA   GLN 104           HA       GLN 104   0.657  13.332  -0.507
  858   1HB   GLN 104          2HB       GLN 104  -0.250  13.468   1.846
  859   2HB   GLN 104          1HB       GLN 104   1.389  13.796   2.403
  860   1HG   GLN 104          2HG       GLN 104   0.418  15.942   2.146
  861   2HG   GLN 104          1HG       GLN 104   1.393  15.729   0.693
  862   1HE2  GLN 104          1HE2      GLN 104   0.307  15.892  -1.303
  863   2HE2  GLN 104          2HE2      GLN 104  -1.381  15.938  -1.470
  864    H    MET 105           H        MET 105   3.398  12.528   1.653
  865    HA   MET 105           HA       MET 105   5.190  14.543   0.586
  866   1HB   MET 105          2HB       MET 105   5.209  12.271   2.461
  867   2HB   MET 105          1HB       MET 105   6.749  12.505   1.633
  868   1HG   MET 105          2HG       MET 105   6.862  13.871   3.587
  869   2HG   MET 105          1HG       MET 105   6.546  14.979   2.251
  870   1HE   MET 105          1HE       MET 105   5.838  14.719   5.726
  871   2HE   MET 105          2HE       MET 105   4.668  16.035   5.665
  872   3HE   MET 105          3HE       MET 105   6.180  16.167   4.770
  873    H    VAL 106           H        VAL 106   4.685  11.071  -0.098
  874    HA   VAL 106           HA       VAL 106   6.794  10.836  -2.066
  875    HB   VAL 106           HB       VAL 106   4.242   9.287  -1.494
  876   1HG1  VAL 106          1HG1      VAL 106   4.677   8.574  -3.660
  877   2HG1  VAL 106          2HG1      VAL 106   5.704   7.467  -2.750
  878   3HG1  VAL 106          3HG1      VAL 106   6.408   8.885  -3.527
  879   1HG2  VAL 106          1HG2      VAL 106   5.445   8.225   0.101
  880   2HG2  VAL 106          2HG2      VAL 106   6.646   9.504  -0.081
  881   3HG2  VAL 106          3HG2      VAL 106   6.815   8.000  -0.987
  882    H    ALA 107           H        ALA 107   3.295  11.535  -2.268
  883    HA   ALA 107           HA       ALA 107   2.992  11.565  -5.094
  884   1HB   ALA 107          1HB       ALA 107   1.169  11.640  -3.425
  885   2HB   ALA 107          2HB       ALA 107   1.028  12.975  -4.568
  886   3HB   ALA 107          3HB       ALA 107   1.672  13.263  -2.951
  887    H    ASN 108           H        ASN 108   4.302  14.014  -2.881
  888    HA   ASN 108           HA       ASN 108   4.307  16.281  -4.601
  889   1HB   ASN 108          2HB       ASN 108   5.660  15.311  -2.173
  890   2HB   ASN 108          1HB       ASN 108   6.649  16.425  -3.115
  891   1HD2  ASN 108          1HD2      ASN 108   3.693  16.147  -1.202
  892   2HD2  ASN 108          2HD2      ASN 108   3.344  17.807  -1.177
  893    H    SER 109           H        SER 109   6.667  13.619  -4.258
  894    HA   SER 109           HA       SER 109   8.362  14.685  -6.431
  895   1HB   SER 109          2HB       SER 109   8.705  13.097  -4.161
  896   2HB   SER 109          1HB       SER 109   8.865  11.958  -5.494
  897    HG   SER 109           HG       SER 109  10.438  14.148  -4.788
  898    H    LEU 110           H        LEU 110   5.559  12.739  -6.218
  899    HA   LEU 110           HA       LEU 110   6.190  11.124  -8.628
  900   1HB   LEU 110          2HB       LEU 110   4.392  11.043  -6.315
  901   2HB   LEU 110          1HB       LEU 110   3.569  10.643  -7.820
  902    HG   LEU 110           HG       LEU 110   5.331   8.962  -8.315
  903   1HD1  LEU 110          1HD1      LEU 110   6.308   9.621  -5.517
  904   2HD1  LEU 110          2HD1      LEU 110   7.140  10.070  -7.006
  905   3HD1  LEU 110          3HD1      LEU 110   6.955   8.370  -6.579
  906   1HD2  LEU 110          1HD2      LEU 110   4.178   7.394  -7.134
  907   2HD2  LEU 110          2HD2      LEU 110   3.214   8.758  -6.566
  908   3HD2  LEU 110          3HD2      LEU 110   4.552   8.157  -5.588
  909    H    LYS 111           H        LYS 111   5.421  14.219  -8.370
  910    HA   LYS 111           HA       LYS 111   2.953  14.640  -9.738
  911   1HB   LYS 111          2HB       LYS 111   4.010  16.871 -10.227
  912   2HB   LYS 111          1HB       LYS 111   4.149  16.386  -8.537
  913   1HG   LYS 111          2HG       LYS 111   6.400  16.413  -8.650
  914   2HG   LYS 111          1HG       LYS 111   6.391  15.360 -10.065
  915   1HD   LYS 111          2HD       LYS 111   5.657  18.255 -10.392
  916   2HD   LYS 111          1HD       LYS 111   7.358  17.807 -10.257
  917   1HE   LYS 111          2HE       LYS 111   7.248  16.408 -12.203
  918   2HE   LYS 111          1HE       LYS 111   5.475  16.475 -12.230
  919   1HZ   LYS 111          1HZ       LYS 111   5.571  18.841 -12.604
  920   2HZ   LYS 111          2HZ       LYS 111   6.489  18.057 -13.799
  921   3HZ   LYS 111          3HZ       LYS 111   7.265  18.835 -12.504