*HEADER    ACTIN BINDING PROTEIN                   07-FEB-97   1KSR      
*TITLE     THE REPEATING SEGMENTS OF THE F-ACTIN CROSS-LINKING           
*TITLE    2 GELATION FACTOR (ABP-120) HAVE AN IMMUNOGLOBULIN FOLD, NMR,  
*TITLE    3 20 STRUCTURES                                                
*COMPND    MOL_ID: 1;                                                    
*COMPND   2 MOLECULE: GELATION FACTOR;                                   
*COMPND   3 CHAIN: NULL;                                                 
*COMPND   4 FRAGMENT: ROD 4;                                             
*COMPND   5 SYNONYM: ABP-120;                                            
*COMPND   6 ENGINEERED: YES                                              
*SOURCE    MOL_ID: 1;                                                    
*SOURCE   2 ORGANISM_SCIENTIFIC: DICTYOSTELIUM DISCOIDEUM;               
*SOURCE   3 ORGANISM_COMMON: SLIME MOLD;                                 
*SOURCE   4 STRAIN: AX3;                                                 
*SOURCE   5 CELLULAR_LOCATION: CYTOPLASM, CELL CORTEX;                   
*SOURCE   6 GENE: ABPC;                                                  
*SOURCE   7 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                         
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21 (DE);                         
*SOURCE   9 EXPRESSION_SYSTEM_CELLULAR_LOCATION: CYTOPLASM;              
*SOURCE  10 EXPRESSION_SYSTEM_VECTOR_TYPE: T7 PROMOTER;                  
*SOURCE  11 EXPRESSION_SYSTEM_PLASMID: PT7-7                             
*KEYWDS    ACTIN BINDING PROTEIN, STRUCTURE, IMMUNOGLOBULIN, GELATION    
*KEYWDS   2 FACTOR, ABP-120                                              
*EXPDTA    NMR, 20 STRUCTURES                                            
*AUTHOR    P.FUCINI,C.RENNER,C.HERBERHOLD,A.A.NOEGEL,T.A.HOLAK           
*REVDAT   1   12-OCT-04 1KSR    0   

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assign (resid 27 and name HB#) (resid 64 and name HG#) 4.2 0.6 4.8
assign (resid 66 and name HB#) (resid 58 and name HG#) 3.5 0.4 3.6
assign (resid 65 and name HB#) (resid 45 and name HG#) 4.2 0.6 3.8
assign (resid 18 and name HB2) (resid 97 and name HG1#) 3.6 0.4 1.6
assign (resid 18 and name HB1) (resid 97 and name HG1#) 4.0 0.6 1.8
assign (resid 18 and name HB2) (resid 97 and name HG2#) 3.8 0.4 1.6
assign (resid 18 and name HB1) (resid 97 and name HG2#) 4.2 0.6 1.8
assign (resid 95 and name HB) (resid 13 and name HD#) 3.5 0.4 2.6
assign (resid 7 and name HA) (resid 8 and name HA) 4.4 0.6 0.8
assign (resid 86 and name HA) (resid 85 and name HA#) 3.7 0.3 1.6
assign (resid 51 and name HA) (resid 52 and name HD#) 2.7 0.3 2.4
assign (resid 46 and name HB) (resid 80 and name HB2) 3.4 0.4 0.6
assign (resid 46 and name HB) (resid 80 and name HB1) 3.7 0.4 0.6
assign (resid 96 and name HB#) (resid 76 and name HB#) 3.3 0.4 1.6
assign (resid 74 and name HA) (resid 73 and name HG#) 3.3 0.4 1.6
assign (resid 74 and name HA) (resid 97 and name HG#) 3.4 0.4 2.6
assign (resid 52 and name HD#) (resid 73 and name HG#) 3.7 0.4 2.6
assign (resid 34 and name HB) (resid 30 and name HB#) 3.5 0.4 1.6
assign (resid 52 and name HD#) (resid 51 and name HB#) 2.7 0.3 2.4
assign (resid 13 and name HA) (resid 95 and name HG#) 3.5 0.4 2.6
assign (resid 52 and name HD#) (resid 72 and name HB#) 3.5 0.4 3.6
assign (resid 52 and name HD#) (resid 53 and name HB#) 3.5 0.4 3.6
assign (resid 65 and name HD#) (resid 26 and name HB) 3.8 0.4 2.6
assign (resid 77 and name HB#) (resid 95 and name HB) 3.8 0.4 1.6
assign (resid 77 and name HD#) (resid 95 and name HB) 3.8 0.4 2.6
assign (resid 13 and name HB2) (resid 77 and name HE#) 4.5 0.6 2.8
assign (resid 13 and name HB1) (resid 77 and name HE#) 4.6 0.6 2.8
assign (resid 91 and name HE#) (resid 79 and name HB) 4.0 0.6 2.8
assign (resid 19 and name HE#) (resid 73 and name HB#) 4.2 0.6 3.8
assign (resid 79 and name HB#) (resid 91 and name HD#) 3.2 0.4 3.6
assign (resid 73 and name HB#) (resid 19 and name HZ) 4.2 0.6 1.8
assign (resid 35 and name HE#) (resid 29 and name HB) 4.4 0.6 2.8
assign (resid 91 and name HD#) (resid 8 and name HB#) 4.3 0.6 3.8
assign (resid 73 and name HB#) (resid 19 and name HZ) 4.2 0.6 1.8
assign (resid 7 and name HD#) (resid 9 and name HB#) 4.2 0.6 3.8
assign (resid 43 and name HD#) (resid 45 and name HG#) 3.6 0.4 4.6
assign (resid 43 and name HD#) (resid 81 and name HB#) 4.1 0.6 3.8
assign (resid 43 and name HD#) (resid 82 and name HG#) 4.1 0.6 3.8
assign (resid 49 and name HA#) (resid 76 and name HB#) 4.0 0.6 2.8
assign (resid 46 and name HG#) (resid 80 and name HB2) 3.9 0.6 1.8
assign (resid 46 and name HG#) (resid 80 and name HB1) 4.2 0.6 1.8
assign (resid 14 and name HB2) (resid 95 and name HG1#) 3.5 0.4 1.6
assign (resid 14 and name HB1) (resid 95 and name HG1#) 4.5 0.6 1.8
assign (resid 14 and name HB1) (resid 95 and name HG2#) 4.5 0.6 1.8
assign (resid 80 and name HB2) (resid 44 and name HG#) 3.8 0.4 2.6
assign (resid 80 and name HB1) (resid 44 and name HG#) 3.7 0.4 2.6
assign (resid 77 and name HB#) (resid 95 and name HG#) 3.7 0.4 3.6
assign (resid 80 and name HB2) (resid 82 and name HG#) 4.0 0.6 1.8
assign (resid 80 and name HB1) (resid 82 and name HG#) 3.8 0.4 1.6
assign (resid 2 and name HB#) (resid 5 and name HB#) 3.8 0.4 2.6
assign (resid 41 and name HB2) (resid 28 and name HB#) 3.6 0.4 1.6
assign (resid 41 and name HB1) (resid 28 and name HB#) 3.8 0.4 1.6
assign (resid 65 and name HB#) (resid 26 and name HD#) 3.7 0.4 3.6
assign (resid 27 and name HE#) (resid 35 and name HE#) 4.0 0.6 4.8
assign (resid 77 and name HD#) (resid 95 and name HN) 4.4 0.6 2.8
assign (resid 64 and name HA) (resid 35 and name HD#) 4.0 0.6 2.8
assign (resid 8 and name HA) (resid 24 and name HD#) 4.0 0.6 2.8
assign (resid 68 and name HA) (resid 69 and name HD#) 3.6 0.4 2.6
assign (resid 8 and name HA) (resid 7 and name HD#) 3.7 0.4 2.6
assign (resid 23 and name HA) (resid 24 and name HD#) 3.9 0.4 2.6
assign (resid 76 and name HA) (resid 77 and name HD#) 3.7 0.4 2.6
assign (resid 74 and name HA) (resid 98 and name HN) 4.2 0.6 0.8
assign (resid 9 and name HB#) (resid 27 and name HE#) 3.6 0.4 3.6
assign (resid 27 and name HB#) (resid 7 and name HD#) 3.7 0.4 3.6
assign (resid 64 and name HG#) (resid 27 and name HD#) 3.3 0.4 3.6
assign (resid 64 and name HG#) (resid 28 and name HN) 4.0 0.6 1.8
assign (resid 83 and name HG#) (resid 44 and name HN) 4.4 0.6 1.8
assign (resid 28 and name HB#) (resid 35 and name HD#) 4.0 0.6 3.8
assign (resid 83 and name HG#) (resid 35 and name HD#) 3.8 0.4 3.6
assign (resid 79 and name HN) (resid 95 and name HN) 3.8 0.4 0.6
assign (resid 66 and name HN) (resid 26 and name HN) 4.1 0.6 0.8
assign (resid 78 and name HB) (resid 94 and name HG#) 3.9 0.4 1.6
assign (resid 17 and name HG#) (resid 97 and name HG#) 3.7 0.4 3.6
assign (resid 100 and name HB#) (resid 97 and name HG#) 3.7 0.4 3.6
assign (resid 78 and name HN) (resid 77 and name HA) 2.5 0.3 0.4
assign (resid 100 and name HN) (resid 74 and name HA) 3.5 0.4 0.6
assign (resid 100 and name HN) (resid 74 and name HB#) 2.8 0.3 1.4
assign (resid 100 and name HN) (resid 97 and name HG#) 3.8 0.4 2.6
assign (resid 98 and name HN) (resid 16 and name HA#) 3.0 0.4 1.6
assign (resid 96 and name HN) (resid 95 and name HG#) 3.0 0.4 2.6
assign (resid 96 and name HN) (resid 95 and name HB) 3.4 0.4 0.6
assign (resid 76 and name HB#) (resid 95 and name HN) 4.5 0.6 1.8
assign (resid 76 and name HA) (resid 95 and name HN) 4.0 0.6 0.8
assign (resid 86 and name HN) (resid 82 and name HA) 3.3 0.4 0.6
assign (resid 91 and name HN) (resid 81 and name HD#) 4.5 0.6 2.8
assign (resid 93 and name HN) (resid 91 and name HE#) 4.3 0.6 2.8
assign (resid 88 and name HN) (resid 87 and name HB#) 2.5 0.3 1.4
assign (resid 88 and name HN) (resid 82 and name HG#) 3.5 0.4 1.6
assign (resid 88 and name HN) (resid 81 and name HD#) 2.8 0.3 2.4
assign (resid 88 and name HN) (resid 83 and name HN) 4.0 0.6 0.8
assign (resid 45 and name HB) (resid 82 and name HN) 4.3 0.6 0.8
assign (resid 80 and name HN) (resid 45 and name HG#) 3.0 0.4 2.6
assign (resid 80 and name HN) (resid 79 and name HB) 3.0 0.4 0.6
assign (resid 80 and name HN) (resid 47 and name HD#) 3.0 0.4 2.6
assign (resid 94 and name HG#) (resid 77 and name HN) 2.8 0.3 1.4
assign (resid 94 and name HG#) (resid 77 and name HA) 3.7 0.4 1.6
assign (resid 6 and name HA) (resid 2 and name HB#) 3.5 0.4 1.6
assign (resid 35 and name HA) (resid 2 and name HB#) 3.7 0.4 1.6
assign (resid 75 and name HA#) (resid 97 and name HB) 3.8 0.4 1.6
assign (resid 12 and name HA#) (resid 23 and name HB2) 3.7 0.4 1.6
assign (resid 12 and name HA#) (resid 23 and name HB1) 4.0 0.6 1.8
assign (resid 91 and name HA) (resid 93 and name HB#) 3.7 0.4 1.6
assign (resid 69 and name HA) (resid 56 and name HB#) 4.0 0.4 1.6
assign (resid 6 and name HB2) (resid 28 and name HB#) 4.2 0.4 1.6
assign (resid 6 and name HB1) (resid 28 and name HB#) 4.4 0.4 1.6
assign (resid 27 and name HA) (resid 64 and name HG#) 3.7 0.4 1.6
assign (resid 41 and name HB2) (resid 43 and name HE#) 3.6 0.4 2.6
assign (resid 41 and name HB1) (resid 43 and name HE#) 3.8 0.4 2.6
assign (resid 41 and name HB2) (resid 43 and name HD#) 3.4 0.4 2.6
assign (resid 41 and name HB1) (resid 43 and name HD#) 3.6 0.4 2.6

  Entry H atom name         Submitted Coord H atom name

  Start of MODEL    1
    1   1H    ALA   1           HT2      ALA   1 -18.443 -11.880 -11.880
    2   2H    ALA   1           HT1      ALA   1 -19.267 -10.436 -10.436
    3   3H    ALA   1           HT3      ALA   1 -19.631 -11.290 -11.290
    4    HA   ALA   1           HA       ALA   1 -17.838 -10.522 -10.522
    5   1HB   ALA   1           HB1      ALA   1 -19.166  -8.565  -8.565
    6   2HB   ALA   1           HB3      ALA   1 -17.870  -8.412  -8.412
    7   3HB   ALA   1           HB2      ALA   1 -17.523  -8.204  -8.204
    8    H    ASP   2           HN       ASP   2 -15.782  -8.769  -8.769
    9    HA   ASP   2           HA       ASP   2 -14.082 -10.883 -10.883
   10   1HB   ASP   2           HB2      ASP   2 -13.313 -10.359 -10.359
   11   2HB   ASP   2           HB1      ASP   2 -13.319  -8.635  -8.635
   12    HA   PRO   3           HA       PRO   3 -14.107  -7.045  -7.045
   13   1HB   PRO   3           HB2      PRO   3 -15.841  -7.892  -7.892
   14   2HB   PRO   3           HB1      PRO   3 -16.355  -6.917  -6.917
   15   1HG   PRO   3           HG2      PRO   3 -16.746  -9.841  -9.841
   16   2HG   PRO   3           HG1      PRO   3 -17.761  -8.712  -8.712
   17   1HD   PRO   3           HD2      PRO   3 -15.979 -10.557 -10.557
   18   2HD   PRO   3           HD1      PRO   3 -16.654  -9.126  -9.126
   19    H    GLU   4           HN       GLU   4 -13.464 -10.300 -10.300
   20    HA   GLU   4           HA       GLU   4 -11.931 -10.207 -10.207
   21   1HB   GLU   4           HB2      GLU   4 -14.174 -11.784 -11.784
   22   2HB   GLU   4           HB1      GLU   4 -12.785 -12.860 -12.860
   23   1HG   GLU   4           HG2      GLU   4 -13.391 -11.076 -11.076
   24   2HG   GLU   4           HG1      GLU   4 -13.678 -12.815 -12.815
   25    H    LYS   5           HN       LYS   5 -11.480 -10.215 -10.215
   26    HA   LYS   5           HA       LYS   5  -9.035 -11.863 -11.863
   27   1HB   LYS   5           HB2      LYS   5 -11.160 -13.123 -13.123
   28   2HB   LYS   5           HB1      LYS   5 -10.652 -12.256 -12.256
   29   1HG   LYS   5           HG2      LYS   5  -9.530 -14.398 -14.398
   30   2HG   LYS   5           HG1      LYS   5  -8.327 -13.159 -13.159
   31   1HD   LYS   5           HD2      LYS   5  -8.155 -13.783 -13.783
   32   2HD   LYS   5           HD1      LYS   5  -9.782 -14.462 -14.462
   33   1HE   LYS   5           HE2      LYS   5  -7.379 -15.656 -15.656
   34   2HE   LYS   5           HE1      LYS   5  -8.148 -16.279 -16.279
   35   1HZ   LYS   5           HZ2      LYS   5 -10.224 -16.088 -16.088
   36   2HZ   LYS   5           HZ1      LYS   5  -8.971 -16.505 -16.505
   37   3HZ   LYS   5           HZ3      LYS   5  -9.323 -17.505 -17.505
   38    H    SER   6           HN       SER   6  -9.554  -9.059  -9.059
   39    HA   SER   6           HA       SER   6  -8.451  -8.404  -8.404
   40   1HB   SER   6           HB2      SER   6  -9.862  -6.532  -6.532
   41   2HB   SER   6           HB1      SER   6  -9.354  -6.169  -6.169
   42    HG   SER   6           HG       SER   6 -10.978  -7.302  -7.302
   43    H    TYR   7           HN       TYR   7  -6.335  -7.937  -7.937
   44    HA   TYR   7           HA       TYR   7  -5.277  -6.431  -6.431
   45   1HB   TYR   7           HB2      TYR   7  -3.237  -8.021  -8.021
   46   2HB   TYR   7           HB1      TYR   7  -4.698  -8.623  -8.623
   47    HD1  TYR   7           HD1      TYR   7  -6.401  -9.894  -9.894
   48    HD2  TYR   7           HD2      TYR   7  -2.311  -9.193  -9.193
   49    HE1  TYR   7           HE1      TYR   7  -6.536 -11.737 -11.737
   50    HE2  TYR   7           HE2      TYR   7  -2.445 -11.039 -11.039
   51    HH   TYR   7           HH       TYR   7  -4.462 -13.362 -13.362
   52    H    ALA   8           HN       ALA   8  -3.568  -5.057  -5.057
   53    HA   ALA   8           HA       ALA   8  -2.601  -5.051  -5.051
   54   1HB   ALA   8           HB3      ALA   8  -4.019  -2.988  -2.988
   55   2HB   ALA   8           HB2      ALA   8  -2.366  -2.445  -2.445
   56   3HB   ALA   8           HB1      ALA   8  -3.363  -2.957  -2.957
   57    H    GLU   9           HN       GLU   9  -0.402  -5.177  -5.177
   58    HA   GLU   9           HA       GLU   9   1.211  -4.116  -4.116
   59   1HB   GLU   9           HB2      GLU   9   2.540  -6.273  -6.273
   60   2HB   GLU   9           HB1      GLU   9   0.904  -6.411  -6.411
   61   1HG   GLU   9           HG2      GLU   9   0.129  -7.602  -7.602
   62   2HG   GLU   9           HG1      GLU   9   1.356  -6.934  -6.934
   63    H    GLY  10           HN       GLY  10   3.242  -3.437  -3.437
   64   1HA   GLY  10           HA2      GLY  10   4.357  -4.234  -4.234
   65   2HA   GLY  10           HA1      GLY  10   3.724  -2.594  -2.594
   66    HA   PRO  11           HA       PRO  11   8.030  -2.542  -2.542
   67   1HB   PRO  11           HB2      PRO  11   9.314  -1.528  -1.528
   68   2HB   PRO  11           HB1      PRO  11   9.182  -3.264  -3.264
   69   1HG   PRO  11           HG2      PRO  11   7.721  -1.625  -1.625
   70   2HG   PRO  11           HG1      PRO  11   8.104  -3.355  -3.355
   71   1HD   PRO  11           HD2      PRO  11   5.594  -2.222  -2.222
   72   2HD   PRO  11           HD1      PRO  11   6.086  -3.903  -3.903
   73    H    GLY  12           HN       GLY  12   5.565  -0.670  -0.670
   74   1HA   GLY  12           HA2      GLY  12   6.948   1.919   1.919
   75   2HA   GLY  12           HA1      GLY  12   5.513   1.746   1.746
   76    H    LEU  13           HN       LEU  13   5.674   3.451   3.451
   77    HA   LEU  13           HA       LEU  13   3.995   4.027   4.027
   78   1HB   LEU  13           HB2      LEU  13   2.117   2.828   2.828
   79   2HB   LEU  13           HB1      LEU  13   2.818   1.889   1.889
   80    HG   LEU  13           HG       LEU  13   3.756   0.813   0.813
   81   1HD1  LEU  13          HD12      LEU  13   1.136   1.951   1.951
   82   2HD1  LEU  13          HD11      LEU  13   1.015   0.193   0.193
   83   3HD1  LEU  13          HD13      LEU  13   2.021   1.056   1.056
   84   1HD2  LEU  13          HD22      LEU  13   2.377  -0.041  -0.041
   85   2HD2  LEU  13          HD21      LEU  13   3.587  -0.893  -0.893
   86   3HD2  LEU  13          HD23      LEU  13   1.889  -0.950  -0.950
   87    H    ASP  14           HN       ASP  14   6.486   1.851   1.851
   88    HA   ASP  14           HA       ASP  14   6.361   1.187   1.187
   89   1HB   ASP  14           HB2      ASP  14   8.922   1.633   1.633
   90   2HB   ASP  14           HB1      ASP  14   8.576   0.445   0.445
   91    H    GLY  15           HN       GLY  15   7.035   3.985   3.985
   92   1HA   GLY  15           HA2      GLY  15   7.418   6.196   6.196
   93   2HA   GLY  15           HA1      GLY  15   7.356   5.627   5.627
   94    H    GLY  16           HN       GLY  16   9.148   6.213   6.213
   95   1HA   GLY  16           HA2      GLY  16  11.433   6.389   6.389
   96   2HA   GLY  16           HA1      GLY  16  11.717   5.181   5.181
   97    H    GLU  17           HN       GLU  17  11.193   6.289   6.289
   98    HA   GLU  17           HA       GLU  17  12.656   8.897   8.897
   99   1HB   GLU  17           HB2      GLU  17  13.055   6.509   6.509
  100   2HB   GLU  17           HB1      GLU  17  13.675   8.097   8.097
  101   1HG   GLU  17           HG2      GLU  17  15.227   8.087   8.087
  102   2HG   GLU  17           HG1      GLU  17  14.248   7.024   7.024
  103    H    CYS  18           HN       CYS  18  12.006  10.418  10.418
  104    HA   CYS  18           HA       CYS  18   9.410   9.981   9.981
  105   1HB   CYS  18           HB2      CYS  18  11.041  12.413  12.413
  106   2HB   CYS  18           HB1      CYS  18   9.963  12.486  12.486
  107    HG   CYS  18           HG       CYS  18   8.577  13.186  13.186
  108    H    PHE  19           HN       PHE  19  12.782  10.126  10.126
  109    HA   PHE  19           HA       PHE  19  12.199  10.662  10.662
  110   1HB   PHE  19           HB2      PHE  19  14.757  10.317  10.317
  111   2HB   PHE  19           HB1      PHE  19  14.750  10.308  10.308
  112    HD1  PHE  19           HD1      PHE  19  12.724  12.138  12.138
  113    HD2  PHE  19           HD2      PHE  19  15.454  12.444  12.444
  114    HE1  PHE  19           HE1      PHE  19  12.404  14.589  14.589
  115    HE2  PHE  19           HE2      PHE  19  15.133  14.903  14.903
  116    HZ   PHE  19           HZ       PHE  19  13.577  15.952  15.952
  117    H    GLN  20           HN       GLN  20  11.541   8.142   8.142
  118    HA   GLN  20           HA       GLN  20  12.734   6.136   6.136
  119   1HB   GLN  20           HB2      GLN  20  12.498   5.934   5.934
  120   2HB   GLN  20           HB1      GLN  20  10.877   5.393   5.393
  121   1HG   GLN  20           HG2      GLN  20  11.686   3.541   3.541
  122   2HG   GLN  20           HG1      GLN  20  13.304   4.229   4.229
  123   1HE2  GLN  20          HE22      GLN  20  12.303   2.089   2.089
  124   2HE2  GLN  20          HE21      GLN  20  11.157   2.403   2.403
  125    HA   PRO  21           HA       PRO  21   8.951   6.350   6.350
  126   1HB   PRO  21           HB2      PRO  21   9.020   3.859   3.859
  127   2HB   PRO  21           HB1      PRO  21   9.974   5.245   5.245
  128   1HG   PRO  21           HG2      PRO  21  10.862   2.859   2.859
  129   2HG   PRO  21           HG1      PRO  21  11.775   3.842   3.842
  130   1HD   PRO  21           HD2      PRO  21  12.008   4.040   4.040
  131   2HD   PRO  21           HD1      PRO  21  12.486   5.310   5.310
  132    H    SER  22           HN       SER  22   6.862   6.010   6.010
  133    HA   SER  22           HA       SER  22   6.563   3.783   3.783
  134   1HB   SER  22           HB2      SER  22   5.921   6.446   6.446
  135   2HB   SER  22           HB1      SER  22   4.383   5.678   5.678
  136    HG   SER  22           HG       SER  22   6.140   5.133   5.133
  137    H    LYS  23           HN       LYS  23   5.762   1.974   1.974
  138    HA   LYS  23           HA       LYS  23   3.280   2.258   2.258
  139   1HB   LYS  23           HB2      LYS  23   5.500   0.564   0.564
  140   2HB   LYS  23           HB1      LYS  23   4.085   1.210   1.210
  141   1HG   LYS  23           HG2      LYS  23   5.059   3.531   3.531
  142   2HG   LYS  23           HG1      LYS  23   6.551   2.707   2.707
  143   1HD   LYS  23           HD2      LYS  23   6.736   1.711   1.711
  144   2HD   LYS  23           HD1      LYS  23   5.132   2.288   2.288
  145   1HE   LYS  23           HE2      LYS  23   6.019   4.226   4.226
  146   2HE   LYS  23           HE1      LYS  23   6.666   4.531   4.531
  147   1HZ   LYS  23           HZ1      LYS  23   8.140   2.553   2.553
  148   2HZ   LYS  23           HZ3      LYS  23   8.141   4.073   4.073
  149   3HZ   LYS  23           HZ2      LYS  23   8.698   3.916   3.916
  150    H    PHE  24           HN       PHE  24   1.933   0.577   0.577
  151    HA   PHE  24           HA       PHE  24   3.023  -1.973  -1.973
  152   1HB   PHE  24           HB2      PHE  24   0.603  -1.507  -1.507
  153   2HB   PHE  24           HB1      PHE  24   2.228  -1.687  -1.687
  154    HD1  PHE  24           HD2      PHE  24   3.762   0.411   0.411
  155    HD2  PHE  24           HD1      PHE  24  -0.525   0.493   0.493
  156    HE1  PHE  24           HE2      PHE  24   3.833   2.818   2.818
  157    HE2  PHE  24           HE1      PHE  24  -0.458   2.911   2.911
  158    HZ   PHE  24           HZ       PHE  24   1.730   4.057   4.057
  159    H    LYS  25           HN       LYS  25   1.431  -3.750  -3.750
  160    HA   LYS  25           HA       LYS  25  -0.569  -3.165  -3.165
  161   1HB   LYS  25           HB2      LYS  25   0.788  -5.811  -5.811
  162   2HB   LYS  25           HB1      LYS  25  -0.282  -5.472  -5.472
  163   1HG   LYS  25           HG2      LYS  25   1.842  -3.521  -3.521
  164   2HG   LYS  25           HG1      LYS  25   2.526  -5.147  -5.147
  165   1HD   LYS  25           HD2      LYS  25   0.277  -4.737  -4.737
  166   2HD   LYS  25           HD1      LYS  25   1.765  -3.875  -3.875
  167   1HE   LYS  25           HE2      LYS  25   1.507  -6.275  -6.275
  168   2HE   LYS  25           HE1      LYS  25   3.027  -5.875  -5.875
  169   1HZ   LYS  25           HZ2      LYS  25   0.732  -7.094  -7.094
  170   2HZ   LYS  25           HZ1      LYS  25   1.953  -8.020  -8.020
  171   3HZ   LYS  25           HZ3      LYS  25   2.341  -6.960  -6.960
  172    H    ILE  26           HN       ILE  26  -2.684  -3.823  -3.823
  173    HA   ILE  26           HA       ILE  26  -3.194  -4.876  -4.876
  174    HB   ILE  26           HB       ILE  26  -5.144  -3.539  -3.539
  175   1HG1  ILE  26          HG12      ILE  26  -4.382  -1.934  -1.934
  176   2HG1  ILE  26          HG11      ILE  26  -2.937  -2.391  -2.391
  177   1HG2  ILE  26          HG21      ILE  26  -5.969  -5.011  -5.011
  178   2HG2  ILE  26          HG23      ILE  26  -5.256  -3.821  -3.821
  179   3HG2  ILE  26          HG22      ILE  26  -6.557  -3.349  -3.349
  180   1HD1  ILE  26          HD12      ILE  26  -5.103  -1.632  -1.632
  181   2HD1  ILE  26          HD11      ILE  26  -4.718  -0.336  -0.336
  182   3HD1  ILE  26          HD13      ILE  26  -3.460  -0.999  -0.999
  183    H    HIS  27           HN       HIS  27  -4.418  -6.733  -6.733
  184    HA   HIS  27           HA       HIS  27  -5.308  -8.105  -8.105
  185   1HB   HIS  27           HB2      HIS  27  -4.080  -9.554  -9.554
  186   2HB   HIS  27           HB1      HIS  27  -4.386 -10.179 -10.179
  187    HD1  HIS  27           HD1      HIS  27  -2.471  -7.197  -7.197
  188    HD2  HIS  27           HD2      HIS  27  -2.046 -10.186 -10.186
  189    HE1  HIS  27           HE1      HIS  27  -0.249  -6.798  -6.798
  190    H    ALA  28           HN       ALA  28  -7.464  -8.311  -8.311
  191    HA   ALA  28           HA       ALA  28  -8.698  -8.657  -8.657
  192   1HB   ALA  28           HB2      ALA  28  -9.553  -7.449  -7.449
  193   2HB   ALA  28           HB1      ALA  28 -10.802  -8.327  -8.327
  194   3HB   ALA  28           HB3      ALA  28  -9.960  -6.985  -6.985
  195    H    VAL  29           HN       VAL  29 -10.159 -10.412 -10.412
  196    HA   VAL  29           HA       VAL  29 -10.389 -12.440 -12.440
  197    HB   VAL  29           HB       VAL  29  -9.241 -12.854 -12.854
  198   1HG1  VAL  29          HG12      VAL  29 -10.630 -14.971 -14.971
  199   2HG1  VAL  29          HG11      VAL  29  -9.710 -15.277 -15.277
  200   3HG1  VAL  29          HG13      VAL  29 -11.212 -14.355 -14.355
  201   1HG2  VAL  29          HG22      VAL  29  -8.428 -13.109 -13.109
  202   2HG2  VAL  29          HG21      VAL  29  -7.435 -13.162 -13.162
  203   3HG2  VAL  29          HG23      VAL  29  -8.205 -14.632 -14.632
  204    H    ASP  30           HN       ASP  30 -12.460 -12.945 -12.945
  205    HA   ASP  30           HA       ASP  30 -14.344 -12.341 -12.341
  206   1HB   ASP  30           HB2      ASP  30 -15.873 -11.722 -11.722
  207   2HB   ASP  30           HB1      ASP  30 -14.424 -11.465 -11.465
  208    HA   PRO  31           HA       PRO  31 -15.478 -16.555 -16.555
  209   1HB   PRO  31           HB2      PRO  31 -18.210 -16.631 -16.631
  210   2HB   PRO  31           HB1      PRO  31 -17.396 -15.989 -15.989
  211   1HG   PRO  31           HG2      PRO  31 -18.757 -14.514 -14.514
  212   2HG   PRO  31           HG1      PRO  31 -18.479 -14.020 -14.020
  213   1HD   PRO  31           HD2      PRO  31 -17.003 -13.160 -13.160
  214   2HD   PRO  31           HD1      PRO  31 -16.550 -12.915 -12.915
  215    H    ASP  32           HN       ASP  32 -15.099 -15.512 -15.512
  216    HA   ASP  32           HA       ASP  32 -16.480 -17.875 -17.875
  217   1HB   ASP  32           HB2      ASP  32 -16.050 -15.080 -15.080
  218   2HB   ASP  32           HB1      ASP  32 -15.976 -16.375 -16.375
  219    H    GLY  33           HN       GLY  33 -13.629 -17.137 -17.137
  220   1HA   GLY  33           HA2      GLY  33 -11.477 -18.030 -18.030
  221   2HA   GLY  33           HA1      GLY  33 -12.152 -18.910 -18.910
  222    H    VAL  34           HN       VAL  34 -12.518 -15.492 -15.492
  223    HA   VAL  34           HA       VAL  34 -10.544 -14.808 -14.808
  224    HB   VAL  34           HB       VAL  34 -13.272 -13.645 -13.645
  225   1HG1  VAL  34          HG11      VAL  34 -10.906 -13.541 -13.541
  226   2HG1  VAL  34          HG13      VAL  34 -11.787 -14.777 -14.777
  227   3HG1  VAL  34          HG12      VAL  34 -12.484 -13.169 -13.169
  228   1HG2  VAL  34          HG22      VAL  34 -12.565 -16.516 -16.516
  229   2HG2  VAL  34          HG21      VAL  34 -13.942 -15.928 -15.928
  230   3HG2  VAL  34          HG23      VAL  34 -13.872 -15.649 -15.649
  231    H    HIS  35           HN       HIS  35 -10.984 -12.198 -12.198
  232    HA   HIS  35           HA       HIS  35 -10.831 -11.128 -11.128
  233   1HB   HIS  35           HB2      HIS  35 -10.108  -9.758  -9.758
  234   2HB   HIS  35           HB1      HIS  35  -9.712  -9.208  -9.208
  235    HD1  HIS  35           HD1      HIS  35  -7.236  -9.572  -9.572
  236    HD2  HIS  35           HD2      HIS  35  -9.123 -12.844 -12.844
  237    HE1  HIS  35           HE1      HIS  35  -5.468 -11.367 -11.367
  238    H    ARG  36           HN       ARG  36 -13.364 -11.711 -11.711
  239    HA   ARG  36           HA       ARG  36 -15.507 -10.814 -10.814
  240   1HB   ARG  36           HB2      ARG  36 -13.737  -8.475  -8.475
  241   2HB   ARG  36           HB1      ARG  36 -15.368  -8.111  -8.111
  242   1HG   ARG  36           HG2      ARG  36 -16.169  -9.761  -9.761
  243   2HG   ARG  36           HG1      ARG  36 -14.545  -9.611  -9.611
  244   1HD   ARG  36           HD2      ARG  36 -15.540  -7.873  -7.873
  245   2HD   ARG  36           HD1      ARG  36 -15.082  -7.002  -7.002
  246    HE   ARG  36           HE       ARG  36 -17.678  -7.059  -7.059
  247   1HH1  ARG  36          HH11      ARG  36 -18.729  -9.351  -9.351
  248   2HH1  ARG  36          HH12      ARG  36 -18.906  -9.094  -9.094
  249   1HH2  ARG  36          HH21      ARG  36 -16.719  -6.406  -6.406
  250   2HH2  ARG  36          HH22      ARG  36 -17.767  -7.428  -7.428
  251    H    THR  37           HN       THR  37 -15.312 -11.782 -11.782
  252    HA   THR  37           HA       THR  37 -15.536 -11.570 -11.570
  253    HB   THR  37           HB       THR  37 -17.407 -10.243 -10.243
  254    HG1  THR  37           HG1      THR  37 -17.508  -8.270  -8.270
  255   1HG2  THR  37          HG21      THR  37 -17.567 -11.920 -11.920
  256   2HG2  THR  37          HG23      THR  37 -18.095 -10.432 -10.432
  257   3HG2  THR  37          HG22      THR  37 -18.966 -11.044 -11.044
  258    H    ASP  38           HN       ASP  38 -13.261 -10.950 -10.950
  259    HA   ASP  38           HA       ASP  38 -12.060  -8.487  -8.487
  260   1HB   ASP  38           HB2      ASP  38 -11.681 -10.810 -10.810
  261   2HB   ASP  38           HB1      ASP  38 -11.409  -9.366  -9.366
  262    H    GLY  39           HN       GLY  39 -11.870  -6.618  -6.618
  263   1HA   GLY  39           HA2      GLY  39 -12.582  -5.121  -5.121
  264   2HA   GLY  39           HA1      GLY  39 -13.820  -6.287  -6.287
  265    H    GLY  40           HN       GLY  40 -14.989  -6.669  -6.669
  266   1HA   GLY  40           HA2      GLY  40 -16.136  -3.942  -3.942
  267   2HA   GLY  40           HA1      GLY  40 -17.116  -5.408  -5.408
  268    H    ASP  41           HN       ASP  41 -13.912  -4.727  -4.727
  269    HA   ASP  41           HA       ASP  41 -14.881  -5.867  -5.867
  270   1HB   ASP  41           HB2      ASP  41 -12.134  -4.728  -4.728
  271   2HB   ASP  41           HB1      ASP  41 -12.582  -5.903  -5.903
  272    H    GLY  42           HN       GLY  42 -15.707  -4.539  -4.539
  273   1HA   GLY  42           HA2      GLY  42 -15.651  -1.659  -1.659
  274   2HA   GLY  42           HA1      GLY  42 -16.230  -2.542  -2.542
  275    H    PHE  43           HN       PHE  43 -13.112  -2.059  -2.059
  276    HA   PHE  43           HA       PHE  43 -11.767  -1.984  -1.984
  277   1HB   PHE  43           HB2      PHE  43 -11.121  -3.068  -3.068
  278   2HB   PHE  43           HB1      PHE  43 -10.008  -1.727  -1.727
  279    HD1  PHE  43           HD2      PHE  43  -9.975  -1.875  -1.875
  280    HD2  PHE  43           HD1      PHE  43  -9.559  -4.858  -4.858
  281    HE1  PHE  43           HE2      PHE  43  -8.628  -3.281  -3.281
  282    HE2  PHE  43           HE1      PHE  43  -8.204  -6.254  -6.254
  283    HZ   PHE  43           HZ       PHE  43  -7.748  -5.468  -5.468
  284    H    VAL  44           HN       VAL  44 -11.628   0.029   0.029
  285    HA   VAL  44           HA       VAL  44 -10.887   2.228   2.228
  286    HB   VAL  44           HB       VAL  44 -12.849   3.180   3.180
  287   1HG1  VAL  44          HG12      VAL  44 -12.761   1.058   1.058
  288   2HG1  VAL  44          HG11      VAL  44 -13.644   2.506   2.506
  289   3HG1  VAL  44          HG13      VAL  44 -14.102   1.618   1.618
  290   1HG2  VAL  44          HG23      VAL  44 -10.932   4.384   4.384
  291   2HG2  VAL  44          HG22      VAL  44 -12.586   4.709   4.709
  292   3HG2  VAL  44          HG21      VAL  44 -11.577   3.595   3.595
  293    H    VAL  45           HN       VAL  45  -8.801   2.662   2.662
  294    HA   VAL  45           HA       VAL  45  -7.733   2.508   2.508
  295    HB   VAL  45           HB       VAL  45  -6.031   2.291   2.291
  296   1HG1  VAL  45          HG12      VAL  45  -5.803   1.634   1.634
  297   2HG1  VAL  45          HG11      VAL  45  -4.800   0.769   0.769
  298   3HG1  VAL  45          HG13      VAL  45  -4.680   2.523   2.523
  299   1HG2  VAL  45          HG22      VAL  45  -8.033   0.394   0.394
  300   2HG2  VAL  45          HG21      VAL  45  -7.008   0.344   0.344
  301   3HG2  VAL  45          HG23      VAL  45  -6.417  -0.306  -0.306
  302    H    THR  46           HN       THR  46  -6.294   4.189   4.189
  303    HA   THR  46           HA       THR  46  -5.732   6.342   6.342
  304    HB   THR  46           HB       THR  46  -6.958   7.854   7.854
  305    HG1  THR  46           HG1      THR  46  -8.542   5.573   5.573
  306   1HG2  THR  46          HG22      THR  46  -7.862   6.866   6.866
  307   2HG2  THR  46          HG21      THR  46  -8.813   8.030   8.030
  308   3HG2  THR  46          HG23      THR  46  -7.172   8.433   8.433
  309    H    ILE  47           HN       ILE  47  -3.882   7.252   7.252
  310    HA   ILE  47           HA       ILE  47  -3.000   7.090   7.090
  311    HB   ILE  47           HB       ILE  47  -1.475   6.678   6.678
  312   1HG1  ILE  47          HG12      ILE  47  -2.070   5.186   5.186
  313   2HG1  ILE  47          HG11      ILE  47  -1.606   4.583   4.583
  314   1HG2  ILE  47          HG22      ILE  47  -0.320   7.690   7.690
  315   2HG2  ILE  47          HG21      ILE  47   0.635   7.091   7.091
  316   3HG2  ILE  47          HG23      ILE  47  -0.326   8.550   8.550
  317   1HD1  ILE  47          HD11      ILE  47   0.752   5.491   5.491
  318   2HD1  ILE  47          HD13      ILE  47   0.190   5.558   5.558
  319   3HD1  ILE  47          HD12      ILE  47   0.241   4.014   4.014
  320    H    GLU  48           HN       GLU  48  -1.704   8.927   8.927
  321    HA   GLU  48           HA       GLU  48  -1.263  11.104  11.104
  322   1HB   GLU  48           HB2      GLU  48  -2.947  12.564  12.564
  323   2HB   GLU  48           HB1      GLU  48  -3.368  11.976  11.976
  324   1HG   GLU  48           HG2      GLU  48  -4.622  10.197  10.197
  325   2HG   GLU  48           HG1      GLU  48  -3.746  10.160  10.160
  326    H    GLY  49           HN       GLY  49  -0.280  12.920  12.920
  327   1HA   GLY  49           HA2      GLY  49   0.328  12.987  12.987
  328   2HA   GLY  49           HA1      GLY  49   1.699  12.455  12.455
  329    HA   PRO  50           HA       PRO  50   1.600  17.089  17.089
  330   1HB   PRO  50           HB2      PRO  50   4.176  17.412  17.412
  331   2HB   PRO  50           HB1      PRO  50   2.765  17.325  17.325
  332   1HG   PRO  50           HG2      PRO  50   4.852  15.256  15.256
  333   2HG   PRO  50           HG1      PRO  50   3.853  15.501  15.501
  334   1HD   PRO  50           HD2      PRO  50   3.418  13.540  13.540
  335   2HD   PRO  50           HD1      PRO  50   2.249  14.041  14.041
  336    H    ALA  51           HN       ALA  51   1.621  16.220  16.220
  337    HA   ALA  51           HA       ALA  51   4.100  17.175  17.175
  338   1HB   ALA  51           HB1      ALA  51   3.644  14.375  14.375
  339   2HB   ALA  51           HB3      ALA  51   3.526  14.712  14.712
  340   3HB   ALA  51           HB2      ALA  51   4.986  15.151  15.151
  341    HA   PRO  52           HA       PRO  52   1.372  18.129  18.129
  342   1HB   PRO  52           HB2      PRO  52   2.825  17.467  17.467
  343   2HB   PRO  52           HB1      PRO  52   3.191  18.867  18.867
  344   1HG   PRO  52           HG2      PRO  52   4.632  16.268  16.268
  345   2HG   PRO  52           HG1      PRO  52   5.244  17.853  17.853
  346   1HD   PRO  52           HD2      PRO  52   4.555  15.708  15.708
  347   2HD   PRO  52           HD1      PRO  52   4.889  17.383  17.383
  348    H    VAL  53           HN       VAL  53   2.964  15.066  15.066
  349    HA   VAL  53           HA       VAL  53   0.416  14.096  14.096
  350    HB   VAL  53           HB       VAL  53   3.126  12.739  12.739
  351   1HG1  VAL  53          HG13      VAL  53   0.759  11.555  11.555
  352   2HG1  VAL  53          HG12      VAL  53   1.133  12.157  12.157
  353   3HG1  VAL  53          HG11      VAL  53   2.256  11.071  11.071
  354   1HG2  VAL  53          HG23      VAL  53   2.084  14.896  14.896
  355   2HG2  VAL  53          HG22      VAL  53   3.743  14.333  14.333
  356   3HG2  VAL  53          HG21      VAL  53   2.666  13.517  13.517
  357    H    ASP  54           HN       ASP  54  -0.546  14.099  14.099
  358    HA   ASP  54           HA       ASP  54   0.491  11.970  11.970
  359   1HB   ASP  54           HB2      ASP  54  -1.678  14.042  14.042
  360   2HB   ASP  54           HB1      ASP  54  -1.417  12.766  12.766
  361    HA   PRO  55           HA       PRO  55  -3.782  10.097  10.097
  362   1HB   PRO  55           HB2      PRO  55  -5.317  11.278  11.278
  363   2HB   PRO  55           HB1      PRO  55  -5.405  11.723  11.723
  364   1HG   PRO  55           HG2      PRO  55  -4.166  13.216  13.216
  365   2HG   PRO  55           HG1      PRO  55  -4.817  13.831  13.831
  366   1HD   PRO  55           HD2      PRO  55  -2.073  13.449  13.449
  367   2HD   PRO  55           HD1      PRO  55  -2.760  13.785  13.785
  368    H    VAL  56           HN       VAL  56  -2.663   8.365   8.365
  369    HA   VAL  56           HA       VAL  56  -2.680   8.489   8.489
  370    HB   VAL  56           HB       VAL  56  -0.432   7.369   7.369
  371   1HG1  VAL  56          HG12      VAL  56  -1.180   7.253   7.253
  372   2HG1  VAL  56          HG11      VAL  56   0.292   8.217   8.217
  373   3HG1  VAL  56          HG13      VAL  56   0.256   6.573   6.573
  374   1HG2  VAL  56          HG21      VAL  56  -0.665   9.845   9.845
  375   2HG2  VAL  56          HG23      VAL  56   0.821   9.407   9.407
  376   3HG2  VAL  56          HG22      VAL  56  -0.550  10.050  10.050
  377    H    MET  57           HN       MET  57  -4.361   6.912   6.912
  378    HA   MET  57           HA       MET  57  -3.443   4.219   4.219
  379   1HB   MET  57           HB2      MET  57  -5.504   3.609   3.609
  380   2HB   MET  57           HB1      MET  57  -4.980   5.123   5.123
  381   1HG   MET  57           HG2      MET  57  -6.836   5.125   5.125
  382   2HG   MET  57           HG1      MET  57  -7.462   4.915   4.915
  383   1HE   MET  57           HE1      MET  57  -6.992   7.223   7.223
  384   2HE   MET  57           HE3      MET  57  -8.482   7.251   7.251
  385   3HE   MET  57           HE2      MET  57  -7.484   8.699   8.699
  386    H    VAL  58           HN       VAL  58  -3.887   2.650   2.650
  387    HA   VAL  58           HA       VAL  58  -5.779   3.313   3.313
  388    HB   VAL  58           HB       VAL  58  -3.596   1.756   1.756
  389   1HG1  VAL  58          HG12      VAL  58  -5.303   3.860   3.860
  390   2HG1  VAL  58          HG11      VAL  58  -3.673   4.519   4.519
  391   3HG1  VAL  58          HG13      VAL  58  -4.106   3.057   3.057
  392   1HG2  VAL  58          HG22      VAL  58  -2.806   4.332   4.332
  393   2HG2  VAL  58          HG21      VAL  58  -2.174   2.716   2.716
  394   3HG2  VAL  58          HG23      VAL  58  -1.811   3.520   3.520
  395    H    ASP  59           HN       ASP  59  -6.611   1.411   1.411
  396    HA   ASP  59           HA       ASP  59  -6.306  -1.124  -1.124
  397   1HB   ASP  59           HB2      ASP  59  -8.539  -0.128  -0.128
  398   2HB   ASP  59           HB1      ASP  59  -8.749  -0.036  -0.036
  399    H    ASN  60           HN       ASN  60  -5.533  -2.808  -2.808
  400    HA   ASN  60           HA       ASN  60  -5.220  -2.366  -2.366
  401   1HB   ASN  60           HB2      ASN  60  -3.732  -3.717  -3.717
  402   2HB   ASN  60           HB1      ASN  60  -4.357  -4.978  -4.978
  403   1HD2  ASN  60          HD22      ASN  60  -1.505  -4.183  -4.183
  404   2HD2  ASN  60          HD21      ASN  60  -2.154  -5.298  -5.298
  405    H    GLY  61           HN       GLY  61  -7.338  -4.189  -4.189
  406   1HA   GLY  61           HA2      GLY  61  -9.379  -5.154  -5.154
  407   2HA   GLY  61           HA1      GLY  61  -8.784  -5.067  -5.067
  408    H    ASP  62           HN       ASP  62  -6.709  -6.485  -6.485
  409    HA   ASP  62           HA       ASP  62  -7.399  -9.187  -9.187
  410   1HB   ASP  62           HB2      ASP  62  -5.018  -9.780  -9.780
  411   2HB   ASP  62           HB1      ASP  62  -5.203  -8.392  -8.392
  412    H    GLY  63           HN       GLY  63  -8.293  -7.690  -7.690
  413   1HA   GLY  63           HA2      GLY  63  -8.918  -8.493  -8.493
  414   2HA   GLY  63           HA1      GLY  63  -7.860  -9.884  -9.884
  415    H    THR  64           HN       THR  64  -5.865  -7.558  -7.558
  416    HA   THR  64           HA       THR  64  -5.025  -6.914  -6.914
  417    HB   THR  64           HB       THR  64  -2.678  -7.112  -7.112
  418    HG1  THR  64           HG1      THR  64  -2.329  -7.174  -7.174
  419   1HG2  THR  64          HG22      THR  64  -4.355  -9.128  -9.128
  420   2HG2  THR  64          HG21      THR  64  -3.811  -9.704  -9.704
  421   3HG2  THR  64          HG23      THR  64  -2.634  -9.361  -9.361
  422    H    TYR  65           HN       TYR  65  -4.811  -4.694  -4.694
  423    HA   TYR  65           HA       TYR  65  -4.560  -3.027  -3.027
  424   1HB   TYR  65           HB2      TYR  65  -5.911  -2.255  -2.255
  425   2HB   TYR  65           HB1      TYR  65  -5.917  -1.341  -1.341
  426    HD1  TYR  65           HD1      TYR  65  -6.094  -3.763  -3.763
  427    HD2  TYR  65           HD2      TYR  65  -8.322  -2.667  -2.667
  428    HE1  TYR  65           HE1      TYR  65  -8.001  -5.101  -5.101
  429    HE2  TYR  65           HE2      TYR  65 -10.233  -4.009  -4.009
  430    HH   TYR  65           HH       TYR  65 -10.010  -6.280  -6.280
  431    H    ASP  66           HN       ASP  66  -3.307  -0.999  -0.999
  432    HA   ASP  66           HA       ASP  66  -1.320  -1.290  -1.290
  433   1HB   ASP  66           HB2      ASP  66   0.424  -0.590  -0.590
  434   2HB   ASP  66           HB1      ASP  66  -0.455  -1.913  -1.913
  435    H    VAL  67           HN       VAL  67  -0.449   0.611   0.611
  436    HA   VAL  67           HA       VAL  67  -1.706   3.159   3.159
  437    HB   VAL  67           HB       VAL  67  -2.364   3.694   3.694
  438   1HG1  VAL  67          HG13      VAL  67  -3.434   1.533   1.533
  439   2HG1  VAL  67          HG12      VAL  67  -2.938   0.790   0.790
  440   3HG1  VAL  67          HG11      VAL  67  -4.059   2.151   2.151
  441   1HG2  VAL  67          HG21      VAL  67  -0.731   1.310   1.310
  442   2HG2  VAL  67          HG23      VAL  67  -0.387   3.003   3.003
  443   3HG2  VAL  67          HG22      VAL  67  -1.787   2.217   2.217
  444    H    GLU  68           HN       GLU  68  -0.211   4.989   4.989
  445    HA   GLU  68           HA       GLU  68   2.357   4.378   4.378
  446   1HB   GLU  68           HB2      GLU  68   2.470   5.421   5.421
  447   2HB   GLU  68           HB1      GLU  68   3.747   4.659   4.659
  448   1HG   GLU  68           HG2      GLU  68   3.088   2.972   2.972
  449   2HG   GLU  68           HG1      GLU  68   2.221   2.550   2.550
  450    H    PHE  69           HN       PHE  69   3.124   6.139   6.139
  451    HA   PHE  69           HA       PHE  69   2.572   8.812   8.812
  452   1HB   PHE  69           HB2      PHE  69   2.100   9.840   9.840
  453   2HB   PHE  69           HB1      PHE  69   0.996   8.483   8.483
  454    HD1  PHE  69           HD1      PHE  69   2.156   6.142   6.142
  455    HD2  PHE  69           HD2      PHE  69   3.087  10.085  10.085
  456    HE1  PHE  69           HE1      PHE  69   3.032   5.192   5.192
  457    HE2  PHE  69           HE2      PHE  69   3.954   9.123   9.123
  458    HZ   PHE  69           HZ       PHE  69   3.907   6.660   6.660
  459    H    GLU  70           HN       GLU  70   4.308  10.404  10.404
  460    HA   GLU  70           HA       GLU  70   6.704   9.212   9.212
  461   1HB   GLU  70           HB2      GLU  70   6.960   8.566   8.566
  462   2HB   GLU  70           HB1      GLU  70   6.651  10.220  10.220
  463   1HG   GLU  70           HG2      GLU  70   8.750  10.932  10.932
  464   2HG   GLU  70           HG1      GLU  70   8.822   9.909   9.909
  465    HA   PRO  71           HA       PRO  71   6.459  13.617  13.617
  466   1HB   PRO  71           HB2      PRO  71   7.566  13.226  13.226
  467   2HB   PRO  71           HB1      PRO  71   5.844  12.996  12.996
  468   1HG   PRO  71           HG2      PRO  71   7.951  10.940  10.940
  469   2HG   PRO  71           HG1      PRO  71   6.203  10.828  10.828
  470   1HD   PRO  71           HD2      PRO  71   7.659   9.770   9.770
  471   2HD   PRO  71           HD1      PRO  71   5.892   9.911   9.911
  472    H    LYS  72           HN       LYS  72   8.285  15.124  15.124
  473    HA   LYS  72           HA       LYS  72  10.988  14.087  14.087
  474   1HB   LYS  72           HB2      LYS  72  11.228  16.625  16.625
  475   2HB   LYS  72           HB1      LYS  72  10.723  15.317  15.317
  476   1HG   LYS  72           HG2      LYS  72   8.548  16.041  16.041
  477   2HG   LYS  72           HG1      LYS  72   8.571  16.620  16.620
  478   1HD   LYS  72           HD2      LYS  72   8.747  18.699  18.699
  479   2HD   LYS  72           HD1      LYS  72  10.403  18.268  18.268
  480   1HE   LYS  72           HE2      LYS  72   9.859  18.456  18.456
  481   2HE   LYS  72           HE1      LYS  72   8.713  17.131  17.131
  482   1HZ   LYS  72           HZ1      LYS  72   7.810  19.685  19.685
  483   2HZ   LYS  72           HZ3      LYS  72   8.030  19.629  19.629
  484   3HZ   LYS  72           HZ2      LYS  72   6.982  18.526  18.526
  485    H    GLU  73           HN       GLU  73   9.596  14.839  14.839
  486    HA   GLU  73           HA       GLU  73  11.920  16.312  16.312
  487   1HB   GLU  73           HB2      GLU  73  10.594  18.092  18.092
  488   2HB   GLU  73           HB1      GLU  73  10.258  18.055  18.055
  489   1HG   GLU  73           HG2      GLU  73   8.085  17.574  17.574
  490   2HG   GLU  73           HG1      GLU  73   8.490  16.255  16.255
  491    H    ALA  74           HN       ALA  74  10.113  16.869  16.869
  492    HA   ALA  74           HA       ALA  74  10.288  14.121  14.121
  493   1HB   ALA  74           HB1      ALA  74  11.008  16.668  16.668
  494   2HB   ALA  74           HB3      ALA  74   9.605  16.140  16.140
  495   3HB   ALA  74           HB2      ALA  74  11.049  15.129  15.129
  496    H    GLY  75           HN       GLY  75   8.396  13.012  13.012
  497   1HA   GLY  75           HA2      GLY  75   5.932  14.484  14.484
  498   2HA   GLY  75           HA1      GLY  75   5.982  13.812  13.812
  499    H    ASP  76           HN       ASP  76   4.080  13.069  13.069
  500    HA   ASP  76           HA       ASP  76   4.866  10.253  10.253
  501   1HB   ASP  76           HB2      ASP  76   3.009  10.307  10.307
  502   2HB   ASP  76           HB1      ASP  76   4.244  11.511  11.511
  503    H    TYR  77           HN       TYR  77   3.203   8.670   8.670
  504    HA   TYR  77           HA       TYR  77   1.495   9.591   9.591
  505   1HB   TYR  77           HB2      TYR  77   2.401   6.767   6.767
  506   2HB   TYR  77           HB1      TYR  77   1.710   7.434   7.434
  507    HD1  TYR  77           HD2      TYR  77   3.349  10.095  10.095
  508    HD2  TYR  77           HD1      TYR  77   4.348   5.929   5.929
  509    HE1  TYR  77           HE2      TYR  77   5.591  10.633  10.633
  510    HE2  TYR  77           HE1      TYR  77   6.585   6.451   6.451
  511    HH   TYR  77           HH       TYR  77   7.809   8.115   8.115
  512    H    VAL  78           HN       VAL  78  -0.588   9.061   9.061
  513    HA   VAL  78           HA       VAL  78  -1.647   7.389   7.389
  514    HB   VAL  78           HB       VAL  78  -2.514   9.520   9.520
  515   1HG1  VAL  78          HG12      VAL  78  -1.692  10.534  10.534
  516   2HG1  VAL  78          HG11      VAL  78  -3.118   9.878   9.878
  517   3HG1  VAL  78          HG13      VAL  78  -3.299  11.091  11.091
  518   1HG2  VAL  78          HG22      VAL  78  -4.191   7.509   7.509
  519   2HG2  VAL  78          HG21      VAL  78  -4.722   9.004   9.004
  520   3HG2  VAL  78          HG23      VAL  78  -4.769   8.851   8.851
  521    H    ILE  79           HN       ILE  79  -2.635   5.621   5.621
  522    HA   ILE  79           HA       ILE  79  -3.083   5.482   5.482
  523    HB   ILE  79           HB       ILE  79  -3.299   2.910   2.910
  524   1HG1  ILE  79          HG12      ILE  79  -1.905   3.921   3.921
  525   2HG1  ILE  79          HG11      ILE  79  -1.002   2.717   2.717
  526   1HG2  ILE  79          HG21      ILE  79  -1.295   4.169   4.169
  527   2HG2  ILE  79          HG23      ILE  79  -1.388   2.443   2.443
  528   3HG2  ILE  79          HG22      ILE  79  -2.734   3.254   3.254
  529   1HD1  ILE  79          HD13      ILE  79  -0.841   5.453   5.453
  530   2HD1  ILE  79          HD12      ILE  79  -0.110   5.258   5.258
  531   3HD1  ILE  79          HD11      ILE  79   0.435   4.260   4.260
  532    H    ASN  80           HN       ASN  80  -4.785   4.293   4.293
  533    HA   ASN  80           HA       ASN  80  -7.138   3.811   3.811
  534   1HB   ASN  80           HB2      ASN  80  -7.454   5.537   5.537
  535   2HB   ASN  80           HB1      ASN  80  -8.553   5.327   5.327
  536   1HD2  ASN  80          HD22      ASN  80  -6.886   7.686   7.686
  537   2HD2  ASN  80          HD21      ASN  80  -7.939   6.354   6.354
  538    H    LEU  81           HN       LEU  81  -7.594   1.793   1.793
  539    HA   LEU  81           HA       LEU  81  -7.678   1.126   1.126
  540   1HB   LEU  81           HB2      LEU  81  -5.558   0.220   0.220
  541   2HB   LEU  81           HB1      LEU  81  -6.342  -0.479  -0.479
  542    HG   LEU  81           HG       LEU  81  -5.783  -1.967  -1.967
  543   1HD1  LEU  81          HD13      LEU  81  -7.335  -2.243  -2.243
  544   2HD1  LEU  81          HD12      LEU  81  -8.547  -2.441  -2.441
  545   3HD1  LEU  81          HD11      LEU  81  -7.138  -3.502  -3.502
  546   1HD2  LEU  81          HD22      LEU  81  -7.400  -0.202  -0.202
  547   2HD2  LEU  81          HD21      LEU  81  -7.220  -1.874  -1.874
  548   3HD2  LEU  81          HD23      LEU  81  -8.591  -1.403  -1.403
  549    H    THR  82           HN       THR  82  -9.740   0.497   0.497
  550    HA   THR  82           HA       THR  82 -11.135  -0.968  -0.968
  551    HB   THR  82           HB       THR  82 -13.192   0.388   0.388
  552    HG1  THR  82           HG1      THR  82 -11.357   1.285   1.285
  553   1HG2  THR  82          HG22      THR  82 -11.052   0.988   0.988
  554   2HG2  THR  82          HG21      THR  82 -11.832   2.458   2.458
  555   3HG2  THR  82          HG23      THR  82 -12.793   1.199   1.199
  556    H    LEU  83           HN       LEU  83 -12.376  -2.671  -2.671
  557    HA   LEU  83           HA       LEU  83 -13.112  -2.985  -2.985
  558   1HB   LEU  83           HB2      LEU  83 -10.965  -4.260  -4.260
  559   2HB   LEU  83           HB1      LEU  83 -11.935  -5.288  -5.288
  560    HG   LEU  83           HG       LEU  83 -11.571  -6.107  -6.107
  561   1HD1  LEU  83          HD12      LEU  83 -13.420  -6.772  -6.772
  562   2HD1  LEU  83          HD11      LEU  83 -14.488  -5.804  -5.804
  563   3HD1  LEU  83          HD13      LEU  83 -13.651  -7.200  -7.200
  564   1HD2  LEU  83          HD22      LEU  83 -12.074  -3.813  -3.813
  565   2HD2  LEU  83          HD21      LEU  83 -12.985  -5.134  -5.134
  566   3HD2  LEU  83          HD23      LEU  83 -13.760  -4.072  -4.072
  567    H    ASP  84           HN       ASP  84 -15.186  -2.345  -2.345
  568    HA   ASP  84           HA       ASP  84 -17.254  -3.930  -3.930
  569   1HB   ASP  84           HB2      ASP  84 -15.676  -4.761  -4.761
  570   2HB   ASP  84           HB1      ASP  84 -17.436  -4.832  -4.832
  571    H    GLY  85           HN       GLY  85 -15.506  -1.613  -1.613
  572   1HA   GLY  85           HA2      GLY  85 -16.912   0.533   0.533
  573   2HA   GLY  85           HA1      GLY  85 -18.034  -0.507  -0.507
  574    H    ASP  86           HN       ASP  86 -14.961  -1.675  -1.675
  575    HA   ASP  86           HA       ASP  86 -14.633   0.118   0.118
  576   1HB   ASP  86           HB2      ASP  86 -15.064  -2.789  -2.789
  577   2HB   ASP  86           HB1      ASP  86 -13.622  -2.342  -2.342
  578    H    ASN  87           HN       ASN  87 -12.229  -0.363  -0.363
  579    HA   ASN  87           HA       ASN  87 -10.518  -0.463  -0.463
  580   1HB   ASN  87           HB2      ASN  87  -8.869   0.835   0.835
  581   2HB   ASN  87           HB1      ASN  87 -10.339   1.702   1.702
  582   1HD2  ASN  87          HD22      ASN  87 -10.807   2.404   2.404
  583   2HD2  ASN  87          HD21      ASN  87 -10.620   3.020   3.020
  584    H    VAL  88           HN       VAL  88  -8.371  -1.449  -1.449
  585    HA   VAL  88           HA       VAL  88  -8.531  -3.946  -3.946
  586    HB   VAL  88           HB       VAL  88  -6.344  -2.508  -2.508
  587   1HG1  VAL  88          HG12      VAL  88  -5.241  -3.611  -3.611
  588   2HG1  VAL  88          HG11      VAL  88  -6.021  -5.129  -5.129
  589   3HG1  VAL  88          HG13      VAL  88  -4.832  -4.404  -4.404
  590   1HG2  VAL  88          HG23      VAL  88  -8.205  -3.843  -3.843
  591   2HG2  VAL  88          HG22      VAL  88  -6.570  -4.376  -4.376
  592   3HG2  VAL  88          HG21      VAL  88  -7.528  -5.272  -5.272
  593    H    ASN  89           HN       ASN  89  -6.723  -4.601  -4.601
  594    HA   ASN  89           HA       ASN  89  -6.909  -2.665  -2.665
  595   1HB   ASN  89           HB2      ASN  89  -6.192  -4.407  -4.407
  596   2HB   ASN  89           HB1      ASN  89  -7.144  -5.227  -5.227
  597   1HD2  ASN  89          HD22      ASN  89  -4.319  -6.877  -6.877
  598   2HD2  ASN  89          HD21      ASN  89  -5.918  -6.383  -6.383
  599    H    GLY  90           HN       GLY  90  -5.094  -2.126  -2.126
  600   1HA   GLY  90           HA2      GLY  90  -2.783  -1.286  -1.286
  601   2HA   GLY  90           HA1      GLY  90  -2.423  -2.306  -2.306
  602    H    PHE  91           HN       PHE  91  -5.115  -0.282  -0.282
  603    HA   PHE  91           HA       PHE  91  -3.445   1.472   1.472
  604   1HB   PHE  91           HB2      PHE  91  -6.070   0.208   0.208
  605   2HB   PHE  91           HB1      PHE  91  -5.974   1.880   1.880
  606    HD1  PHE  91           HD1      PHE  91  -4.571  -1.500  -1.500
  607    HD2  PHE  91           HD2      PHE  91  -4.515   2.500   2.500
  608    HE1  PHE  91           HE1      PHE  91  -3.212  -2.240  -2.240
  609    HE2  PHE  91           HE2      PHE  91  -3.169   1.781   1.781
  610    HZ   PHE  91           HZ       PHE  91  -2.518  -0.613  -0.613
  611    HA   PRO  92           HA       PRO  92  -6.293   4.566   4.566
  612   1HB   PRO  92           HB2      PRO  92  -7.453   3.796   3.796
  613   2HB   PRO  92           HB1      PRO  92  -8.271   3.706   3.706
  614   1HG   PRO  92           HG2      PRO  92  -7.108   1.507   1.507
  615   2HG   PRO  92           HG1      PRO  92  -8.420   1.448   1.448
  616   1HD   PRO  92           HD2      PRO  92  -5.761   0.621   0.621
  617   2HD   PRO  92           HD1      PRO  92  -6.974   0.887   0.887
  618    H    LYS  93           HN       LYS  93  -3.735   2.854   2.854
  619    HA   LYS  93           HA       LYS  93  -3.070   4.197   4.197
  620   1HB   LYS  93           HB2      LYS  93  -2.569   1.725   1.725
  621   2HB   LYS  93           HB1      LYS  93  -1.373   2.281   2.281
  622   1HG   LYS  93           HG2      LYS  93  -1.213   3.603   3.603
  623   2HG   LYS  93           HG1      LYS  93  -0.844   1.878   1.878
  624   1HD   LYS  93           HD2      LYS  93   0.399   3.166   3.166
  625   2HD   LYS  93           HD1      LYS  93   0.882   3.952   3.952
  626   1HE   LYS  93           HE2      LYS  93   1.110   1.399   1.399
  627   2HE   LYS  93           HE1      LYS  93   1.397   1.168   1.168
  628   1HZ   LYS  93           HZ3      LYS  93   2.880   3.354   3.354
  629   2HZ   LYS  93           HZ2      LYS  93   3.060   2.411   2.411
  630   3HZ   LYS  93           HZ1      LYS  93   3.476   1.771   1.771
  631    H    THR  94           HN       THR  94  -0.773   5.121   5.121
  632    HA   THR  94           HA       THR  94  -0.326   6.557   6.557
  633    HB   THR  94           HB       THR  94   0.151   7.709   7.709
  634    HG1  THR  94           HG1      THR  94  -2.102   7.175   7.175
  635   1HG2  THR  94          HG22      THR  94   1.384   8.633   8.633
  636   2HG2  THR  94          HG21      THR  94  -0.176   9.031   9.031
  637   3HG2  THR  94          HG23      THR  94   0.322   9.798   9.798
  638    H    VAL  95           HN       VAL  95   1.652   6.318   6.318
  639    HA   VAL  95           HA       VAL  95   3.720   5.222   5.222
  640    HB   VAL  95           HB       VAL  95   3.395   5.122   5.122
  641   1HG1  VAL  95          HG11      VAL  95   5.746   5.926   5.926
  642   2HG1  VAL  95          HG13      VAL  95   5.953   4.354   4.354
  643   3HG1  VAL  95          HG12      VAL  95   5.645   4.457   4.457
  644   1HG2  VAL  95          HG23      VAL  95   2.657   3.362   3.362
  645   2HG2  VAL  95          HG22      VAL  95   3.441   2.817   2.817
  646   3HG2  VAL  95          HG21      VAL  95   4.372   2.946   2.946
  647    H    THR  96           HN       THR  96   5.908   6.270   6.270
  648    HA   THR  96           HA       THR  96   5.598   9.145   9.145
  649    HB   THR  96           HB       THR  96   7.010   7.917   7.917
  650    HG1  THR  96           HG1      THR  96   5.269   8.491   8.491
  651   1HG2  THR  96          HG22      THR  96   7.117  10.649  10.649
  652   2HG2  THR  96          HG21      THR  96   7.168  10.504  10.504
  653   3HG2  THR  96          HG23      THR  96   8.400   9.718   9.718
  654    H    VAL  97           HN       VAL  97   7.198  10.210  10.210
  655    HA   VAL  97           HA       VAL  97   9.774   8.798   8.798
  656    HB   VAL  97           HB       VAL  97   7.965  10.288  10.288
  657   1HG1  VAL  97          HG12      VAL  97  10.982  10.192  10.192
  658   2HG1  VAL  97          HG11      VAL  97   9.997  10.426  10.426
  659   3HG1  VAL  97          HG13      VAL  97   9.943  11.612  11.612
  660   1HG2  VAL  97          HG23      VAL  97   9.662   7.804   7.804
  661   2HG2  VAL  97          HG22      VAL  97   7.946   7.956   7.956
  662   3HG2  VAL  97          HG21      VAL  97   9.153   8.530   8.530
  663    H    LYS  98           HN       LYS  98  11.618  10.146  10.146
  664    HA   LYS  98           HA       LYS  98  11.152  12.634  12.634
  665   1HB   LYS  98           HB2      LYS  98  13.920  11.682  11.682
  666   2HB   LYS  98           HB1      LYS  98  13.206  12.266  12.266
  667   1HG   LYS  98           HG2      LYS  98  12.713   9.533   9.533
  668   2HG   LYS  98           HG1      LYS  98  13.757   9.869   9.869
  669   1HD   LYS  98           HD2      LYS  98  11.228  11.086  11.086
  670   2HD   LYS  98           HD1      LYS  98  10.936   9.423   9.423
  671   1HE   LYS  98           HE2      LYS  98  12.401   8.557   8.557
  672   2HE   LYS  98           HE1      LYS  98  12.982  10.173  10.173
  673   1HZ   LYS  98           HZ3      LYS  98  10.755  10.754  10.754
  674   2HZ   LYS  98           HZ2      LYS  98  10.197   9.197   9.197
  675   3HZ   LYS  98           HZ1      LYS  98  11.334   9.412   9.412
  676    HA   PRO  99           HA       PRO  99  12.518  15.409  15.409
  677   1HB   PRO  99           HB2      PRO  99  14.874  16.592  16.592
  678   2HB   PRO  99           HB1      PRO  99  13.272  16.998  16.998
  679   1HG   PRO  99           HG2      PRO  99  15.441  15.382  15.382
  680   2HG   PRO  99           HG1      PRO  99  14.170  16.346  16.346
  681   1HD   PRO  99           HD2      PRO  99  14.166  13.562  13.562
  682   2HD   PRO  99           HD1      PRO  99  12.737  14.549  14.549
  683    H    ALA 100           HN       ALA 100  12.861  13.884  13.884
  684    HA   ALA 100           HA       ALA 100  15.060  12.285  12.285
  685   1HB   ALA 100           HB2      ALA 100  12.809  12.646  12.646
  686   2HB   ALA 100           HB1      ALA 100  13.724  13.814  13.814
  687   3HB   ALA 100           HB3      ALA 100  14.222  12.123  12.123

  Start of MODEL    2
    1   1H    ALA   1           HT3      ALA   1 -18.394 -11.944 -11.944
    2   2H    ALA   1           HT2      ALA   1 -19.223 -10.462 -10.462
    3   3H    ALA   1           HT1      ALA   1 -19.565 -11.592 -11.592
    4    HA   ALA   1           HA       ALA   1 -17.731 -11.083 -11.083
    5   1HB   ALA   1           HB3      ALA   1 -19.149  -8.988  -8.988
    6   2HB   ALA   1           HB2      ALA   1 -17.826  -8.523  -8.523
    7   3HB   ALA   1           HB1      ALA   1 -17.532  -8.736  -8.736
    8    H    ASP   2           HN       ASP   2 -15.779  -9.026  -9.026
    9    HA   ASP   2           HA       ASP   2 -14.038 -10.784 -10.784
   10   1HB   ASP   2           HB2      ASP   2 -13.261 -10.573 -10.573
   11   2HB   ASP   2           HB1      ASP   2 -13.286  -8.813  -8.813
   12    HA   PRO   3           HA       PRO   3 -14.291  -6.542  -6.542
   13   1HB   PRO   3           HB2      PRO   3 -16.091  -7.097  -7.097
   14   2HB   PRO   3           HB1      PRO   3 -16.564  -6.379  -6.379
   15   1HG   PRO   3           HG2      PRO   3 -16.926  -9.187  -9.187
   16   2HG   PRO   3           HG1      PRO   3 -17.916  -8.252  -8.252
   17   1HD   PRO   3           HD2      PRO   3 -16.048 -10.221 -10.221
   18   2HD   PRO   3           HD1      PRO   3 -16.720  -8.969  -8.969
   19    H    GLU   4           HN       GLU   4 -13.557  -9.731  -9.731
   20    HA   GLU   4           HA       GLU   4 -12.127  -9.176  -9.176
   21   1HB   GLU   4           HB2      GLU   4 -14.341 -10.901 -10.901
   22   2HB   GLU   4           HB1      GLU   4 -12.920 -11.907 -11.907
   23   1HG   GLU   4           HG2      GLU   4 -12.459 -10.838 -10.838
   24   2HG   GLU   4           HG1      GLU   4 -13.627  -9.557  -9.557
   25    H    LYS   5           HN       LYS   5 -11.590  -9.803  -9.803
   26    HA   LYS   5           HA       LYS   5  -9.176 -11.398 -11.398
   27   1HB   LYS   5           HB2      LYS   5 -11.450 -12.273 -12.273
   28   2HB   LYS   5           HB1      LYS   5  -9.818 -12.615 -12.615
   29   1HG   LYS   5           HG2      LYS   5 -10.186 -13.209 -13.209
   30   2HG   LYS   5           HG1      LYS   5 -11.224 -14.172 -14.172
   31   1HD   LYS   5           HD2      LYS   5  -9.402 -15.114 -15.114
   32   2HD   LYS   5           HD1      LYS   5  -8.298 -13.838 -13.838
   33   1HE   LYS   5           HE2      LYS   5  -7.639 -15.480 -15.480
   34   2HE   LYS   5           HE1      LYS   5  -8.957 -14.785 -14.785
   35   1HZ   LYS   5           HZ3      LYS   5 -10.074 -16.633 -16.633
   36   2HZ   LYS   5           HZ2      LYS   5  -8.728 -17.387 -17.387
   37   3HZ   LYS   5           HZ1      LYS   5  -9.959 -16.742 -16.742
   38    H    SER   6           HN       SER   6  -9.578  -8.670  -8.670
   39    HA   SER   6           HA       SER   6  -8.403  -8.435  -8.435
   40   1HB   SER   6           HB2      SER   6  -9.773  -6.270  -6.270
   41   2HB   SER   6           HB1      SER   6  -9.270  -6.181  -6.181
   42    HG   SER   6           HG       SER   6 -11.107  -7.041  -7.041
   43    H    TYR   7           HN       TYR   7  -6.233  -8.164  -8.164
   44    HA   TYR   7           HA       TYR   7  -5.257  -6.396  -6.396
   45   1HB   TYR   7           HB2      TYR   7  -3.225  -7.877  -7.877
   46   2HB   TYR   7           HB1      TYR   7  -4.714  -8.658  -8.658
   47    HD1  TYR   7           HD1      TYR   7  -5.949 -10.176 -10.176
   48    HD2  TYR   7           HD2      TYR   7  -2.007  -8.670  -8.670
   49    HE1  TYR   7           HE1      TYR   7  -5.632 -11.929 -11.929
   50    HE2  TYR   7           HE2      TYR   7  -1.693 -10.423 -10.423
   51    HH   TYR   7           HH       TYR   7  -4.180 -12.897 -12.897
   52    H    ALA   8           HN       ALA   8  -3.548  -5.023  -5.023
   53    HA   ALA   8           HA       ALA   8  -2.618  -4.976  -4.976
   54   1HB   ALA   8           HB2      ALA   8  -3.176  -2.656  -2.656
   55   2HB   ALA   8           HB1      ALA   8  -2.365  -2.496  -2.496
   56   3HB   ALA   8           HB3      ALA   8  -4.040  -3.040  -3.040
   57    H    GLU   9           HN       GLU   9  -0.403  -5.249  -5.249
   58    HA   GLU   9           HA       GLU   9   1.267  -4.268  -4.268
   59   1HB   GLU   9           HB2      GLU   9   2.520  -6.403  -6.403
   60   2HB   GLU   9           HB1      GLU   9   0.825  -6.643  -6.643
   61   1HG   GLU   9           HG2      GLU   9   0.308  -7.590  -7.590
   62   2HG   GLU   9           HG1      GLU   9   1.778  -6.958  -6.958
   63    H    GLY  10           HN       GLY  10   3.265  -3.529  -3.529
   64   1HA   GLY  10           HA2      GLY  10   4.420  -4.270  -4.270
   65   2HA   GLY  10           HA1      GLY  10   3.772  -2.638  -2.638
   66    HA   PRO  11           HA       PRO  11   8.053  -2.569  -2.569
   67   1HB   PRO  11           HB2      PRO  11   9.359  -1.494  -1.494
   68   2HB   PRO  11           HB1      PRO  11   9.241  -3.238  -3.238
   69   1HG   PRO  11           HG2      PRO  11   7.793  -1.571  -1.571
   70   2HG   PRO  11           HG1      PRO  11   8.192  -3.295  -3.295
   71   1HD   PRO  11           HD2      PRO  11   5.662  -2.195  -2.195
   72   2HD   PRO  11           HD1      PRO  11   6.161  -3.880  -3.880
   73    H    GLY  12           HN       GLY  12   5.578  -0.699  -0.699
   74   1HA   GLY  12           HA2      GLY  12   6.945   1.892   1.892
   75   2HA   GLY  12           HA1      GLY  12   5.490   1.730   1.730
   76    H    LEU  13           HN       LEU  13   5.690   3.360   3.360
   77    HA   LEU  13           HA       LEU  13   4.022   3.856   3.856
   78   1HB   LEU  13           HB2      LEU  13   2.167   2.615   2.615
   79   2HB   LEU  13           HB1      LEU  13   2.839   1.776   1.776
   80    HG   LEU  13           HG       LEU  13   3.887   0.549   0.549
   81   1HD1  LEU  13          HD11      LEU  13   1.745   1.705   1.705
   82   2HD1  LEU  13          HD13      LEU  13   0.896   0.471   0.471
   83   3HD1  LEU  13          HD12      LEU  13   2.004  -0.002  -0.002
   84   1HD2  LEU  13          HD22      LEU  13   2.427  -0.166  -0.166
   85   2HD2  LEU  13          HD21      LEU  13   3.670  -1.066  -1.066
   86   3HD2  LEU  13          HD23      LEU  13   1.988  -1.164  -1.164
   87    H    ASP  14           HN       ASP  14   6.570   1.767   1.767
   88    HA   ASP  14           HA       ASP  14   6.442   0.921   0.921
   89   1HB   ASP  14           HB2      ASP  14   8.999   1.567   1.567
   90   2HB   ASP  14           HB1      ASP  14   8.674   0.275   0.275
   91    H    GLY  15           HN       GLY  15   7.070   3.857   3.857
   92   1HA   GLY  15           HA2      GLY  15   7.263   6.022   6.022
   93   2HA   GLY  15           HA1      GLY  15   7.491   5.236   5.236
   94    H    GLY  16           HN       GLY  16   9.344   5.907   5.907
   95   1HA   GLY  16           HA2      GLY  16  11.665   6.191   6.191
   96   2HA   GLY  16           HA1      GLY  16  11.850   5.141   5.141
   97    H    GLU  17           HN       GLU  17  11.806   6.140   6.140
   98    HA   GLU  17           HA       GLU  17  12.660   8.995   8.995
   99   1HB   GLU  17           HB2      GLU  17  13.410   6.723   6.723
  100   2HB   GLU  17           HB1      GLU  17  13.660   8.375   8.375
  101   1HG   GLU  17           HG2      GLU  17  15.564   8.438   8.438
  102   2HG   GLU  17           HG1      GLU  17  14.605   8.210   8.210
  103    H    CYS  18           HN       CYS  18  11.838  10.480  10.480
  104    HA   CYS  18           HA       CYS  18   9.278   9.829   9.829
  105   1HB   CYS  18           HB2      CYS  18  10.701  12.363  12.363
  106   2HB   CYS  18           HB1      CYS  18   9.634  12.397  12.397
  107    HG   CYS  18           HG       CYS  18   7.829  12.684  12.684
  108    H    PHE  19           HN       PHE  19  12.585  10.168  10.168
  109    HA   PHE  19           HA       PHE  19  12.004  10.807  10.807
  110   1HB   PHE  19           HB2      PHE  19  14.555  10.417  10.417
  111   2HB   PHE  19           HB1      PHE  19  14.550  10.589  10.589
  112    HD1  PHE  19           HD2      PHE  19  13.198  12.559  12.559
  113    HD2  PHE  19           HD1      PHE  19  14.455  12.341  12.341
  114    HE1  PHE  19           HE2      PHE  19  12.837  14.997  14.997
  115    HE2  PHE  19           HE1      PHE  19  14.085  14.779  14.779
  116    HZ   PHE  19           HZ       PHE  19  13.270  16.090  16.090
  117    H    GLN  20           HN       GLN  20  11.474   8.179   8.179
  118    HA   GLN  20           HA       GLN  20  12.709   6.289   6.289
  119   1HB   GLN  20           HB2      GLN  20  12.911   5.648   5.648
  120   2HB   GLN  20           HB1      GLN  20  11.174   5.844   5.844
  121   1HG   GLN  20           HG2      GLN  20  10.857   4.065   4.065
  122   2HG   GLN  20           HG1      GLN  20  12.592   3.769   3.769
  123   1HE2  GLN  20          HE22      GLN  20  11.714   1.398   1.398
  124   2HE2  GLN  20          HE21      GLN  20  12.249   1.604   1.604
  125    HA   PRO  21           HA       PRO  21   8.901   6.403   6.403
  126   1HB   PRO  21           HB2      PRO  21   9.009   3.914   3.914
  127   2HB   PRO  21           HB1      PRO  21   9.913   5.329   5.329
  128   1HG   PRO  21           HG2      PRO  21  10.894   2.976   2.976
  129   2HG   PRO  21           HG1      PRO  21  11.753   3.956   3.956
  130   1HD   PRO  21           HD2      PRO  21  12.096   4.222   4.222
  131   2HD   PRO  21           HD1      PRO  21  12.435   5.512   5.512
  132    H    SER  22           HN       SER  22   6.837   6.035   6.035
  133    HA   SER  22           HA       SER  22   6.532   3.805   3.805
  134   1HB   SER  22           HB2      SER  22   5.864   6.475   6.475
  135   2HB   SER  22           HB1      SER  22   4.337   5.676   5.676
  136    HG   SER  22           HG       SER  22   5.137   4.174   4.174
  137    H    LYS  23           HN       LYS  23   5.735   1.994   1.994
  138    HA   LYS  23           HA       LYS  23   3.268   2.289   2.289
  139   1HB   LYS  23           HB2      LYS  23   5.503   0.650   0.650
  140   2HB   LYS  23           HB1      LYS  23   4.082   1.303   1.303
  141   1HG   LYS  23           HG2      LYS  23   5.027   3.618   3.618
  142   2HG   LYS  23           HG1      LYS  23   6.521   2.823   2.823
  143   1HD   LYS  23           HD2      LYS  23   5.787   1.631   1.631
  144   2HD   LYS  23           HD1      LYS  23   5.548   3.364   3.364
  145   1HE   LYS  23           HE2      LYS  23   7.776   3.818   3.818
  146   2HE   LYS  23           HE1      LYS  23   8.036   2.624   2.624
  147   1HZ   LYS  23           HZ2      LYS  23   7.480   1.823   1.823
  148   2HZ   LYS  23           HZ1      LYS  23   9.059   2.162   2.162
  149   3HZ   LYS  23           HZ3      LYS  23   8.177   0.903   0.903
  150    H    PHE  24           HN       PHE  24   1.931   0.585   0.585
  151    HA   PHE  24           HA       PHE  24   3.074  -1.968  -1.968
  152   1HB   PHE  24           HB2      PHE  24   0.647  -1.554  -1.554
  153   2HB   PHE  24           HB1      PHE  24   2.270  -1.792  -1.792
  154    HD1  PHE  24           HD2      PHE  24   3.838   0.348   0.348
  155    HD2  PHE  24           HD1      PHE  24  -0.446   0.408   0.408
  156    HE1  PHE  24           HE2      PHE  24   3.916   2.714   2.714
  157    HE2  PHE  24           HE1      PHE  24  -0.368   2.776   2.776
  158    HZ   PHE  24           HZ       PHE  24   1.823   3.917   3.917
  159    H    LYS  25           HN       LYS  25   1.546  -3.774  -3.774
  160    HA   LYS  25           HA       LYS  25  -0.521  -3.181  -3.181
  161   1HB   LYS  25           HB2      LYS  25   0.996  -5.771  -5.771
  162   2HB   LYS  25           HB1      LYS  25  -0.133  -5.435  -5.435
  163   1HG   LYS  25           HG2      LYS  25   1.602  -3.326  -3.326
  164   2HG   LYS  25           HG1      LYS  25   2.683  -4.614  -4.614
  165   1HD   LYS  25           HD2      LYS  25   0.705  -5.062  -5.062
  166   2HD   LYS  25           HD1      LYS  25   2.297  -4.366  -4.366
  167   1HE   LYS  25           HE2      LYS  25   3.131  -6.421  -6.421
  168   2HE   LYS  25           HE1      LYS  25   1.587  -7.119  -7.119
  169   1HZ   LYS  25           HZ3      LYS  25   3.250  -5.841  -5.841
  170   2HZ   LYS  25           HZ2      LYS  25   3.708  -7.377  -7.377
  171   3HZ   LYS  25           HZ1      LYS  25   2.179  -7.148  -7.148
  172    H    ILE  26           HN       ILE  26  -2.602  -4.034  -4.034
  173    HA   ILE  26           HA       ILE  26  -2.933  -5.275  -5.275
  174    HB   ILE  26           HB       ILE  26  -5.114  -3.899  -3.899
  175   1HG1  ILE  26          HG12      ILE  26  -3.150  -2.659  -2.659
  176   2HG1  ILE  26          HG11      ILE  26  -3.207  -2.334  -2.334
  177   1HG2  ILE  26          HG23      ILE  26  -4.601  -4.572  -4.572
  178   2HG2  ILE  26          HG22      ILE  26  -5.922  -3.533  -3.533
  179   3HG2  ILE  26          HG21      ILE  26  -5.864  -5.223  -5.223
  180   1HD1  ILE  26          HD11      ILE  26  -5.625  -1.927  -1.927
  181   2HD1  ILE  26          HD13      ILE  26  -4.416  -0.663  -0.663
  182   3HD1  ILE  26          HD12      ILE  26  -5.315  -1.264  -1.264
  183    H    HIS  27           HN       HIS  27  -4.524  -6.910  -6.910
  184    HA   HIS  27           HA       HIS  27  -5.452  -8.231  -8.231
  185   1HB   HIS  27           HB2      HIS  27  -4.206  -9.836  -9.836
  186   2HB   HIS  27           HB1      HIS  27  -4.520 -10.327 -10.327
  187    HD1  HIS  27           HD1      HIS  27  -2.530  -7.545  -7.545
  188    HD2  HIS  27           HD2      HIS  27  -2.197 -10.226 -10.226
  189    HE1  HIS  27           HE1      HIS  27  -0.280  -7.118  -7.118
  190    H    ALA  28           HN       ALA  28  -7.579  -8.556  -8.556
  191    HA   ALA  28           HA       ALA  28  -8.728  -8.804  -8.804
  192   1HB   ALA  28           HB1      ALA  28  -9.571  -7.545  -7.545
  193   2HB   ALA  28           HB3      ALA  28 -10.792  -8.695  -8.695
  194   3HB   ALA  28           HB2      ALA  28 -10.267  -7.392  -7.392
  195    H    VAL  29           HN       VAL  29 -10.125 -10.597 -10.597
  196    HA   VAL  29           HA       VAL  29 -10.223 -12.770 -12.770
  197    HB   VAL  29           HB       VAL  29  -9.231 -12.941 -12.941
  198   1HG1  VAL  29          HG11      VAL  29 -10.914 -14.876 -14.876
  199   2HG1  VAL  29          HG13      VAL  29  -9.385 -15.556 -15.556
  200   3HG1  VAL  29          HG12      VAL  29 -10.492 -14.813 -14.813
  201   1HG2  VAL  29          HG23      VAL  29  -8.291 -13.836 -13.836
  202   2HG2  VAL  29          HG22      VAL  29  -7.491 -12.732 -12.732
  203   3HG2  VAL  29          HG21      VAL  29  -7.570 -14.456 -14.456
  204    H    ASP  30           HN       ASP  30 -12.236 -13.525 -13.525
  205    HA   ASP  30           HA       ASP  30 -14.275 -12.927 -12.927
  206   1HB   ASP  30           HB2      ASP  30 -14.181 -12.178 -12.178
  207   2HB   ASP  30           HB1      ASP  30 -15.320 -13.509 -13.509
  208    HA   PRO  31           HA       PRO  31 -15.248 -17.216 -17.216
  209   1HB   PRO  31           HB2      PRO  31 -17.902 -17.512 -17.512
  210   2HB   PRO  31           HB1      PRO  31 -17.323 -16.797 -16.797
  211   1HG   PRO  31           HG2      PRO  31 -18.541 -15.456 -15.456
  212   2HG   PRO  31           HG1      PRO  31 -18.455 -14.908 -14.908
  213   1HD   PRO  31           HD2      PRO  31 -16.816 -14.045 -14.045
  214   2HD   PRO  31           HD1      PRO  31 -16.605 -13.634 -13.634
  215    H    ASP  32           HN       ASP  32 -14.329 -16.454 -16.454
  216    HA   ASP  32           HA       ASP  32 -15.373 -18.936 -18.936
  217   1HB   ASP  32           HB2      ASP  32 -15.146 -17.491 -17.491
  218   2HB   ASP  32           HB1      ASP  32 -16.625 -17.431 -17.431
  219    H    GLY  33           HN       GLY  33 -12.744 -17.775 -17.775
  220   1HA   GLY  33           HA2      GLY  33 -10.453 -18.201 -18.201
  221   2HA   GLY  33           HA1      GLY  33 -10.921 -19.223 -19.223
  222    H    VAL  34           HN       VAL  34 -11.936 -15.925 -15.925
  223    HA   VAL  34           HA       VAL  34 -10.081 -14.954 -14.954
  224    HB   VAL  34           HB       VAL  34 -12.953 -14.226 -14.226
  225   1HG1  VAL  34          HG13      VAL  34 -10.838 -13.585 -13.585
  226   2HG1  VAL  34          HG12      VAL  34 -11.036 -15.192 -15.192
  227   3HG1  VAL  34          HG11      VAL  34 -12.332 -14.003 -14.003
  228   1HG2  VAL  34          HG23      VAL  34 -11.860 -17.000 -17.000
  229   2HG2  VAL  34          HG22      VAL  34 -13.354 -16.540 -16.540
  230   3HG2  VAL  34          HG21      VAL  34 -13.212 -16.354 -16.354
  231    H    HIS  35           HN       HIS  35 -10.473 -12.494 -12.494
  232    HA   HIS  35           HA       HIS  35 -10.730 -11.337 -11.337
  233   1HB   HIS  35           HB2      HIS  35 -10.296  -9.743  -9.743
  234   2HB   HIS  35           HB1      HIS  35  -9.716  -9.405  -9.405
  235    HD1  HIS  35           HD1      HIS  35  -7.401 -10.205 -10.205
  236    HD2  HIS  35           HD2      HIS  35  -8.933 -12.095 -12.095
  237    HE1  HIS  35           HE1      HIS  35  -5.524 -11.623 -11.623
  238    H    ARG  36           HN       ARG  36 -13.054 -12.345 -12.345
  239    HA   ARG  36           HA       ARG  36 -15.326 -11.888 -11.888
  240   1HB   ARG  36           HB2      ARG  36 -14.544  -9.812  -9.812
  241   2HB   ARG  36           HB1      ARG  36 -14.601  -8.963  -8.963
  242   1HG   ARG  36           HG2      ARG  36 -16.985  -9.961  -9.961
  243   2HG   ARG  36           HG1      ARG  36 -16.861 -10.242 -10.242
  244   1HD   ARG  36           HD2      ARG  36 -17.134  -8.044  -8.044
  245   2HD   ARG  36           HD1      ARG  36 -16.003  -7.549  -7.549
  246    HE   ARG  36           HE       ARG  36 -18.141  -8.211  -8.211
  247   1HH1  ARG  36          HH11      ARG  36 -18.998  -7.526  -7.526
  248   2HH1  ARG  36          HH12      ARG  36 -19.901  -6.091  -6.091
  249   1HH2  ARG  36          HH21      ARG  36 -18.834  -5.900  -5.900
  250   2HH2  ARG  36          HH22      ARG  36 -19.808  -5.170  -5.170
  251    H    THR  37           HN       THR  37 -14.673 -12.866 -12.866
  252    HA   THR  37           HA       THR  37 -14.824 -12.774 -12.774
  253    HB   THR  37           HB       THR  37 -16.914 -10.643 -10.643
  254    HG1  THR  37           HG1      THR  37 -18.104 -12.000 -12.000
  255   1HG2  THR  37          HG22      THR  37 -16.398 -12.867 -12.867
  256   2HG2  THR  37          HG21      THR  37 -18.031 -12.240 -12.240
  257   3HG2  THR  37          HG23      THR  37 -16.740 -11.167 -11.167
  258    H    ASP  38           HN       ASP  38 -12.754 -11.742 -11.742
  259    HA   ASP  38           HA       ASP  38 -11.929  -9.155  -9.155
  260   1HB   ASP  38           HB2      ASP  38 -11.010 -11.251 -11.251
  261   2HB   ASP  38           HB1      ASP  38 -11.503 -10.155 -10.155
  262    H    GLY  39           HN       GLY  39 -12.147  -7.168  -7.168
  263   1HA   GLY  39           HA2      GLY  39 -13.108  -5.743  -5.743
  264   2HA   GLY  39           HA1      GLY  39 -14.214  -7.043  -7.043
  265    H    GLY  40           HN       GLY  40 -15.189  -7.615  -7.615
  266   1HA   GLY  40           HA2      GLY  40 -16.725  -5.093  -5.093
  267   2HA   GLY  40           HA1      GLY  40 -17.394  -6.706  -6.706
  268    H    ASP  41           HN       ASP  41 -14.383  -5.089  -5.089
  269    HA   ASP  41           HA       ASP  41 -15.038  -6.106  -6.106
  270   1HB   ASP  41           HB2      ASP  41 -12.362  -5.118  -5.118
  271   2HB   ASP  41           HB1      ASP  41 -12.659  -5.936  -5.936
  272    H    GLY  42           HN       GLY  42 -16.041  -4.509  -4.509
  273   1HA   GLY  42           HA2      GLY  42 -15.838  -1.705  -1.705
  274   2HA   GLY  42           HA1      GLY  42 -16.446  -2.379  -2.379
  275    H    PHE  43           HN       PHE  43 -13.432  -1.699  -1.699
  276    HA   PHE  43           HA       PHE  43 -11.996  -1.722  -1.722
  277   1HB   PHE  43           HB2      PHE  43 -11.367  -2.831  -2.831
  278   2HB   PHE  43           HB1      PHE  43 -10.364  -1.383  -1.383
  279    HD1  PHE  43           HD2      PHE  43  -9.091  -0.972  -0.972
  280    HD2  PHE  43           HD1      PHE  43 -10.683  -4.767  -4.767
  281    HE1  PHE  43           HE2      PHE  43  -7.550  -2.122  -2.122
  282    HE2  PHE  43           HE1      PHE  43  -9.141  -5.916  -5.916
  283    HZ   PHE  43           HZ       PHE  43  -7.581  -4.597  -4.597
  284    H    VAL  44           HN       VAL  44 -11.467   0.157   0.157
  285    HA   VAL  44           HA       VAL  44 -10.873   2.471   2.471
  286    HB   VAL  44           HB       VAL  44 -12.927   3.282   3.282
  287   1HG1  VAL  44          HG12      VAL  44 -12.675   1.186   1.186
  288   2HG1  VAL  44          HG11      VAL  44 -13.444   2.640   2.640
  289   3HG1  VAL  44          HG13      VAL  44 -14.119   1.828   1.828
  290   1HG2  VAL  44          HG21      VAL  44 -10.909   4.521   4.521
  291   2HG2  VAL  44          HG23      VAL  44 -12.579   4.965   4.965
  292   3HG2  VAL  44          HG22      VAL  44 -11.701   3.904   3.904
  293    H    VAL  45           HN       VAL  45  -8.762   2.842   2.842
  294    HA   VAL  45           HA       VAL  45  -7.841   2.662   2.662
  295    HB   VAL  45           HB       VAL  45  -6.222   2.087   2.087
  296   1HG1  VAL  45          HG13      VAL  45  -5.587   1.886   1.886
  297   2HG1  VAL  45          HG12      VAL  45  -4.552   1.263   1.263
  298   3HG1  VAL  45          HG11      VAL  45  -4.854   2.997   2.997
  299   1HG2  VAL  45          HG22      VAL  45  -8.078   0.457   0.457
  300   2HG2  VAL  45          HG21      VAL  45  -6.945  -0.040  -0.040
  301   3HG2  VAL  45          HG23      VAL  45  -6.471  -0.115  -0.115
  302    H    THR  46           HN       THR  46  -6.331   4.279   4.279
  303    HA   THR  46           HA       THR  46  -5.597   6.347   6.347
  304    HB   THR  46           HB       THR  46  -6.916   7.827   7.827
  305    HG1  THR  46           HG1      THR  46  -9.049   7.031   7.031
  306   1HG2  THR  46          HG21      THR  46  -6.480   8.117   8.117
  307   2HG2  THR  46          HG23      THR  46  -8.097   7.420   7.420
  308   3HG2  THR  46          HG22      THR  46  -7.844   8.916   8.916
  309    H    ILE  47           HN       ILE  47  -3.800   7.328   7.328
  310    HA   ILE  47           HA       ILE  47  -2.989   7.186   7.186
  311    HB   ILE  47           HB       ILE  47  -1.380   6.682   6.682
  312   1HG1  ILE  47          HG12      ILE  47  -2.013   5.284   5.284
  313   2HG1  ILE  47          HG11      ILE  47  -1.687   4.613   4.613
  314   1HG2  ILE  47          HG23      ILE  47  -0.308   7.721   7.721
  315   2HG2  ILE  47          HG22      ILE  47   0.687   7.087   7.087
  316   3HG2  ILE  47          HG21      ILE  47  -0.243   8.556   8.556
  317   1HD1  ILE  47          HD12      ILE  47   0.747   5.394   5.394
  318   2HD1  ILE  47          HD11      ILE  47   0.299   5.554   5.554
  319   3HD1  ILE  47          HD13      ILE  47   0.209   3.981   3.981
  320    H    GLU  48           HN       GLU  48  -1.670   9.022   9.022
  321    HA   GLU  48           HA       GLU  48  -1.205  11.170  11.170
  322   1HB   GLU  48           HB2      GLU  48  -2.810  12.725  12.725
  323   2HB   GLU  48           HB1      GLU  48  -3.376  11.926  11.926
  324   1HG   GLU  48           HG2      GLU  48  -4.747  10.539  10.539
  325   2HG   GLU  48           HG1      GLU  48  -3.523  10.212  10.212
  326    H    GLY  49           HN       GLY  49  -0.060  12.883  12.883
  327   1HA   GLY  49           HA2      GLY  49   0.561  12.929  12.929
  328   2HA   GLY  49           HA1      GLY  49   1.910  12.502  12.502
  329    HA   PRO  50           HA       PRO  50   1.601  17.121  17.121
  330   1HB   PRO  50           HB2      PRO  50   4.190  17.530  17.530
  331   2HB   PRO  50           HB1      PRO  50   2.822  17.333  17.333
  332   1HG   PRO  50           HG2      PRO  50   4.981  15.388  15.388
  333   2HG   PRO  50           HG1      PRO  50   4.028  15.528  15.528
  334   1HD   PRO  50           HD2      PRO  50   3.607  13.629  13.629
  335   2HD   PRO  50           HD1      PRO  50   2.460  14.027  14.027
  336    H    ALA  51           HN       ALA  51   1.584  16.339  16.339
  337    HA   ALA  51           HA       ALA  51   3.914  17.524  17.524
  338   1HB   ALA  51           HB3      ALA  51   3.863  14.700  14.700
  339   2HB   ALA  51           HB2      ALA  51   3.648  14.983  14.983
  340   3HB   ALA  51           HB1      ALA  51   5.057  15.640  15.640
  341    HA   PRO  52           HA       PRO  52   1.062  18.116  18.116
  342   1HB   PRO  52           HB2      PRO  52   2.544  17.581  17.581
  343   2HB   PRO  52           HB1      PRO  52   2.761  19.033  19.033
  344   1HG   PRO  52           HG2      PRO  52   4.485  16.607  16.607
  345   2HG   PRO  52           HG1      PRO  52   4.924  18.265  18.265
  346   1HD   PRO  52           HD2      PRO  52   4.532  16.117  16.117
  347   2HD   PRO  52           HD1      PRO  52   4.645  17.835  17.835
  348    H    VAL  53           HN       VAL  53   2.922  15.120  15.120
  349    HA   VAL  53           HA       VAL  53   0.593  13.896  13.896
  350    HB   VAL  53           HB       VAL  53   2.212  11.904  11.904
  351   1HG1  VAL  53          HG13      VAL  53   2.402  14.538  14.538
  352   2HG1  VAL  53          HG12      VAL  53   3.822  13.506  13.506
  353   3HG1  VAL  53          HG11      VAL  53   2.238  12.929  12.929
  354   1HG2  VAL  53          HG23      VAL  53   3.571  12.929  12.929
  355   2HG2  VAL  53          HG22      VAL  53   4.473  12.220  12.220
  356   3HG2  VAL  53          HG21      VAL  53   4.288  13.971  13.971
  357    H    ASP  54           HN       ASP  54  -0.653  14.132  14.132
  358    HA   ASP  54           HA       ASP  54   0.219  12.285  12.285
  359   1HB   ASP  54           HB2      ASP  54  -1.876  14.415  14.415
  360   2HB   ASP  54           HB1      ASP  54  -1.985  13.228  13.228
  361    HA   PRO  55           HA       PRO  55  -3.860  10.050  10.050
  362   1HB   PRO  55           HB2      PRO  55  -5.559  11.103  11.103
  363   2HB   PRO  55           HB1      PRO  55  -5.636  11.513  11.513
  364   1HG   PRO  55           HG2      PRO  55  -4.545  13.125  13.125
  365   2HG   PRO  55           HG1      PRO  55  -5.303  13.674  13.674
  366   1HD   PRO  55           HD2      PRO  55  -2.543  13.674  13.674
  367   2HD   PRO  55           HD1      PRO  55  -3.313  13.739  13.739
  368    H    VAL  56           HN       VAL  56  -2.694   8.404   8.404
  369    HA   VAL  56           HA       VAL  56  -2.757   8.590   8.590
  370    HB   VAL  56           HB       VAL  56  -0.472   7.379   7.379
  371   1HG1  VAL  56          HG12      VAL  56  -1.143   8.155   8.155
  372   2HG1  VAL  56          HG11      VAL  56   0.535   8.363   8.363
  373   3HG1  VAL  56          HG13      VAL  56  -0.222   6.772   6.772
  374   1HG2  VAL  56          HG21      VAL  56  -1.046  10.272  10.272
  375   2HG2  VAL  56          HG23      VAL  56  -0.240   9.544   9.544
  376   3HG2  VAL  56          HG22      VAL  56   0.618   9.704   9.704
  377    H    MET  57           HN       MET  57  -4.467   7.005   7.005
  378    HA   MET  57           HA       MET  57  -3.478   4.287   4.287
  379   1HB   MET  57           HB2      MET  57  -5.444   3.617   3.617
  380   2HB   MET  57           HB1      MET  57  -4.946   5.143   5.143
  381   1HG   MET  57           HG2      MET  57  -6.839   5.293   5.293
  382   2HG   MET  57           HG1      MET  57  -7.475   4.693   4.693
  383   1HE   MET  57           HE3      MET  57  -8.503   6.722   6.722
  384   2HE   MET  57           HE2      MET  57  -9.032   7.726   7.726
  385   3HE   MET  57           HE1      MET  57  -7.961   8.401   8.401
  386    H    VAL  58           HN       VAL  58  -4.064   2.731   2.731
  387    HA   VAL  58           HA       VAL  58  -6.038   3.508   3.508
  388    HB   VAL  58           HB       VAL  58  -3.717   1.940   1.940
  389   1HG1  VAL  58          HG13      VAL  58  -5.794   3.641   3.641
  390   2HG1  VAL  58          HG12      VAL  58  -4.227   4.268   4.268
  391   3HG1  VAL  58          HG11      VAL  58  -4.677   2.606   2.606
  392   1HG2  VAL  58          HG23      VAL  58  -2.704   3.680   3.680
  393   2HG2  VAL  58          HG22      VAL  58  -2.191   3.807   3.807
  394   3HG2  VAL  58          HG21      VAL  58  -3.406   4.915   4.915
  395    H    ASP  59           HN       ASP  59  -6.928   1.648   1.648
  396    HA   ASP  59           HA       ASP  59  -6.685  -0.905  -0.905
  397   1HB   ASP  59           HB2      ASP  59  -8.906  -0.134  -0.134
  398   2HB   ASP  59           HB1      ASP  59  -9.053   0.407   0.407
  399    H    ASN  60           HN       ASN  60  -5.839  -2.570  -2.570
  400    HA   ASN  60           HA       ASN  60  -5.475  -2.184  -2.184
  401   1HB   ASN  60           HB2      ASN  60  -4.114  -3.616  -3.616
  402   2HB   ASN  60           HB1      ASN  60  -4.521  -4.731  -4.731
  403   1HD2  ASN  60          HD22      ASN  60  -1.593  -2.005  -2.005
  404   2HD2  ASN  60          HD21      ASN  60  -2.368  -2.198  -2.198
  405    H    GLY  61           HN       GLY  61  -7.822  -3.645  -3.645
  406   1HA   GLY  61           HA2      GLY  61  -9.720  -4.847  -4.847
  407   2HA   GLY  61           HA1      GLY  61  -9.108  -4.780  -4.780
  408    H    ASP  62           HN       ASP  62  -6.716  -5.945  -5.945
  409    HA   ASP  62           HA       ASP  62  -7.268  -8.716  -8.716
  410   1HB   ASP  62           HB2      ASP  62  -4.840  -9.052  -9.052
  411   2HB   ASP  62           HB1      ASP  62  -5.077  -8.070  -8.070
  412    H    GLY  63           HN       GLY  63  -8.600  -7.396  -7.396
  413   1HA   GLY  63           HA2      GLY  63  -9.349  -8.219  -8.219
  414   2HA   GLY  63           HA1      GLY  63  -8.293  -9.610  -9.610
  415    H    THR  64           HN       THR  64  -6.438  -6.939  -6.939
  416    HA   THR  64           HA       THR  64  -5.693  -6.626  -6.626
  417    HB   THR  64           HB       THR  64  -3.287  -6.553  -6.553
  418    HG1  THR  64           HG1      THR  64  -3.702  -6.388  -6.388
  419   1HG2  THR  64          HG23      THR  64  -4.917  -9.098  -9.098
  420   2HG2  THR  64          HG22      THR  64  -3.154  -9.082  -9.082
  421   3HG2  THR  64          HG21      THR  64  -4.015  -8.456  -8.456
  422    H    TYR  65           HN       TYR  65  -4.840  -4.539  -4.539
  423    HA   TYR  65           HA       TYR  65  -5.122  -2.574  -2.574
  424   1HB   TYR  65           HB2      TYR  65  -5.773  -2.254  -2.254
  425   2HB   TYR  65           HB1      TYR  65  -5.822  -0.940  -0.940
  426    HD1  TYR  65           HD2      TYR  65  -7.031  -4.467  -4.467
  427    HD2  TYR  65           HD1      TYR  65  -7.814  -0.548  -0.548
  428    HE1  TYR  65           HE2      TYR  65  -9.234  -5.231  -5.231
  429    HE2  TYR  65           HE1      TYR  65 -10.013  -1.309  -1.309
  430    HH   TYR  65           HH       TYR  65 -11.625  -3.010  -3.010
  431    H    ASP  66           HN       ASP  66  -3.685  -0.744  -0.744
  432    HA   ASP  66           HA       ASP  66  -1.242  -1.204  -1.204
  433   1HB   ASP  66           HB2      ASP  66  -1.066   0.079   0.079
  434   2HB   ASP  66           HB1      ASP  66   0.148  -0.858  -0.858
  435    H    VAL  67           HN       VAL  67  -0.708   0.543   0.543
  436    HA   VAL  67           HA       VAL  67  -1.801   3.173   3.173
  437    HB   VAL  67           HB       VAL  67  -2.362   3.688   3.688
  438   1HG1  VAL  67          HG11      VAL  67  -3.369   1.394   1.394
  439   2HG1  VAL  67          HG13      VAL  67  -2.918   0.843   0.843
  440   3HG1  VAL  67          HG12      VAL  67  -4.046   2.184   2.184
  441   1HG2  VAL  67          HG22      VAL  67  -0.437   1.506   1.506
  442   2HG2  VAL  67          HG21      VAL  67  -0.471   3.173   3.173
  443   3HG2  VAL  67          HG23      VAL  67  -1.659   2.013   2.013
  444    H    GLU  68           HN       GLU  68  -0.307   5.004   5.004
  445    HA   GLU  68           HA       GLU  68   2.360   4.367   4.367
  446   1HB   GLU  68           HB2      GLU  68   2.330   5.449   5.449
  447   2HB   GLU  68           HB1      GLU  68   3.575   4.502   4.502
  448   1HG   GLU  68           HG2      GLU  68   2.110   2.502   2.502
  449   2HG   GLU  68           HG1      GLU  68   0.874   3.460   3.460
  450    H    PHE  69           HN       PHE  69   3.091   6.140   6.140
  451    HA   PHE  69           HA       PHE  69   2.535   8.802   8.802
  452   1HB   PHE  69           HB2      PHE  69   2.096   9.856   9.856
  453   2HB   PHE  69           HB1      PHE  69   0.992   8.494   8.494
  454    HD1  PHE  69           HD2      PHE  69   2.103   6.181   6.181
  455    HD2  PHE  69           HD1      PHE  69   3.170  10.143  10.143
  456    HE1  PHE  69           HE2      PHE  69   2.993   5.280   5.280
  457    HE2  PHE  69           HE1      PHE  69   4.058   9.237   9.237
  458    HZ   PHE  69           HZ       PHE  69   3.947   6.783   6.783
  459    H    GLU  70           HN       GLU  70   4.270  10.397  10.397
  460    HA   GLU  70           HA       GLU  70   6.689   9.277   9.277
  461   1HB   GLU  70           HB2      GLU  70   7.000   8.501   8.501
  462   2HB   GLU  70           HB1      GLU  70   6.538  10.065  10.065
  463   1HG   GLU  70           HG2      GLU  70   8.547  11.080  11.080
  464   2HG   GLU  70           HG1      GLU  70   8.867   9.885   9.885
  465    HA   PRO  71           HA       PRO  71   6.355  13.754  13.754
  466   1HB   PRO  71           HB2      PRO  71   7.229  13.511  13.511
  467   2HB   PRO  71           HB1      PRO  71   5.542  13.281  13.281
  468   1HG   PRO  71           HG2      PRO  71   7.562  11.232  11.232
  469   2HG   PRO  71           HG1      PRO  71   5.796  11.159  11.159
  470   1HD   PRO  71           HD2      PRO  71   7.416   9.939   9.939
  471   2HD   PRO  71           HD1      PRO  71   5.649  10.114  10.114
  472    H    LYS  72           HN       LYS  72   8.151  15.177  15.177
  473    HA   LYS  72           HA       LYS  72  10.905  14.161  14.161
  474   1HB   LYS  72           HB2      LYS  72  11.291  16.597  16.597
  475   2HB   LYS  72           HB1      LYS  72  10.659  15.344  15.344
  476   1HG   LYS  72           HG2      LYS  72   8.445  16.168  16.168
  477   2HG   LYS  72           HG1      LYS  72   8.805  17.105  17.105
  478   1HD   LYS  72           HD2      LYS  72  10.408  17.779  17.779
  479   2HD   LYS  72           HD1      LYS  72   8.697  18.202  18.202
  480   1HE   LYS  72           HE2      LYS  72   9.491  18.967  18.967
  481   2HE   LYS  72           HE1      LYS  72  10.838  19.444  19.444
  482   1HZ   LYS  72           HZ1      LYS  72   8.756  20.218  20.218
  483   2HZ   LYS  72           HZ3      LYS  72   8.122  20.449  20.449
  484   3HZ   LYS  72           HZ2      LYS  72   9.560  21.231  21.231
  485    H    GLU  73           HN       GLU  73   9.432  14.766  14.766
  486    HA   GLU  73           HA       GLU  73  11.509  16.494  16.494
  487   1HB   GLU  73           HB2      GLU  73   9.911  18.041  18.041
  488   2HB   GLU  73           HB1      GLU  73   9.717  18.077  18.077
  489   1HG   GLU  73           HG2      GLU  73   7.664  17.044  17.044
  490   2HG   GLU  73           HG1      GLU  73   8.066  16.097  16.097
  491    H    ALA  74           HN       ALA  74  10.271  16.808  16.808
  492    HA   ALA  74           HA       ALA  74  10.287  14.009  14.009
  493   1HB   ALA  74           HB1      ALA  74  10.219  16.641  16.641
  494   2HB   ALA  74           HB3      ALA  74  10.357  15.044  15.044
  495   3HB   ALA  74           HB2      ALA  74  11.654  15.657  15.657
  496    H    GLY  75           HN       GLY  75   8.329  12.998  12.998
  497   1HA   GLY  75           HA2      GLY  75   5.972  14.444  14.444
  498   2HA   GLY  75           HA1      GLY  75   5.896  14.000  14.000
  499    H    ASP  76           HN       ASP  76   4.070  13.014  13.014
  500    HA   ASP  76           HA       ASP  76   4.884  10.151  10.151
  501   1HB   ASP  76           HB2      ASP  76   3.057  10.025  10.025
  502   2HB   ASP  76           HB1      ASP  76   4.260  11.234  11.234
  503    H    TYR  77           HN       TYR  77   3.212   8.587   8.587
  504    HA   TYR  77           HA       TYR  77   1.482   9.627   9.627
  505   1HB   TYR  77           HB2      TYR  77   2.164   6.731   6.731
  506   2HB   TYR  77           HB1      TYR  77   1.699   7.587   7.587
  507    HD1  TYR  77           HD1      TYR  77   3.508   9.977   9.977
  508    HD2  TYR  77           HD2      TYR  77   4.191   5.768   5.768
  509    HE1  TYR  77           HE1      TYR  77   5.872  10.297  10.297
  510    HE2  TYR  77           HE2      TYR  77   6.553   6.073   6.073
  511    HH   TYR  77           HH       TYR  77   7.958   9.271   9.271
  512    H    VAL  78           HN       VAL  78  -0.616   9.252   9.252
  513    HA   VAL  78           HA       VAL  78  -1.711   7.572   7.572
  514    HB   VAL  78           HB       VAL  78  -2.600   9.719   9.719
  515   1HG1  VAL  78          HG12      VAL  78  -2.689   9.858   9.858
  516   2HG1  VAL  78          HG11      VAL  78  -3.597  10.995  10.995
  517   3HG1  VAL  78          HG13      VAL  78  -1.839  10.922  10.922
  518   1HG2  VAL  78          HG23      VAL  78  -4.298   7.838   7.838
  519   2HG2  VAL  78          HG22      VAL  78  -4.929   9.480   9.480
  520   3HG2  VAL  78          HG21      VAL  78  -4.629   8.533   8.533
  521    H    ILE  79           HN       ILE  79  -2.803   5.801   5.801
  522    HA   ILE  79           HA       ILE  79  -3.138   5.516   5.516
  523    HB   ILE  79           HB       ILE  79  -3.381   2.997   2.997
  524   1HG1  ILE  79          HG12      ILE  79  -2.102   4.094   4.094
  525   2HG1  ILE  79          HG11      ILE  79  -1.173   2.825   2.825
  526   1HG2  ILE  79          HG21      ILE  79  -2.593   3.609   3.609
  527   2HG2  ILE  79          HG23      ILE  79  -1.043   4.014   4.014
  528   3HG2  ILE  79          HG22      ILE  79  -1.662   2.365   2.365
  529   1HD1  ILE  79          HD12      ILE  79  -0.698   5.219   5.219
  530   2HD1  ILE  79          HD11      ILE  79  -0.527   5.612   5.612
  531   3HD1  ILE  79          HD13      ILE  79   0.443   4.321   4.321
  532    H    ASN  80           HN       ASN  80  -4.828   4.295   4.295
  533    HA   ASN  80           HA       ASN  80  -7.193   3.796   3.796
  534   1HB   ASN  80           HB2      ASN  80  -7.512   5.601   5.601
  535   2HB   ASN  80           HB1      ASN  80  -8.621   5.330   5.330
  536   1HD2  ASN  80          HD22      ASN  80  -7.256   7.876   7.876
  537   2HD2  ASN  80          HD21      ASN  80  -8.474   6.710   6.710
  538    H    LEU  81           HN       LEU  81  -7.666   1.784   1.784
  539    HA   LEU  81           HA       LEU  81  -7.930   1.304   1.304
  540   1HB   LEU  81           HB2      LEU  81  -6.283  -0.241  -0.241
  541   2HB   LEU  81           HB1      LEU  81  -5.747   0.291   0.291
  542    HG   LEU  81           HG       LEU  81  -7.420  -1.360  -1.360
  543   1HD1  LEU  81          HD11      LEU  81  -8.296  -1.501  -1.501
  544   2HD1  LEU  81          HD13      LEU  81  -7.262  -2.926  -2.926
  545   3HD1  LEU  81          HD12      LEU  81  -8.609  -2.733  -2.733
  546   1HD2  LEU  81          HD22      LEU  81  -4.860  -1.864  -1.864
  547   2HD2  LEU  81          HD21      LEU  81  -5.395  -2.328  -2.328
  548   3HD2  LEU  81          HD23      LEU  81  -5.835  -3.314  -3.314
  549    H    THR  82           HN       THR  82  -9.883   0.436   0.436
  550    HA   THR  82           HA       THR  82 -11.185  -1.121  -1.121
  551    HB   THR  82           HB       THR  82 -13.284   0.227   0.227
  552    HG1  THR  82           HG1      THR  82 -11.510   1.297   1.297
  553   1HG2  THR  82          HG21      THR  82 -10.839   1.316   1.316
  554   2HG2  THR  82          HG23      THR  82 -12.273   2.333   2.333
  555   3HG2  THR  82          HG22      THR  82 -12.362   0.797   0.797
  556    H    LEU  83           HN       LEU  83 -12.363  -2.843  -2.843
  557    HA   LEU  83           HA       LEU  83 -13.112  -2.938  -2.938
  558   1HB   LEU  83           HB2      LEU  83 -10.984  -4.248  -4.248
  559   2HB   LEU  83           HB1      LEU  83 -11.916  -5.313  -5.313
  560    HG   LEU  83           HG       LEU  83 -11.564  -5.962  -5.962
  561   1HD1  LEU  83          HD11      LEU  83 -13.200  -6.881  -6.881
  562   2HD1  LEU  83          HD13      LEU  83 -14.432  -6.088  -6.088
  563   3HD1  LEU  83          HD12      LEU  83 -13.420  -7.350  -7.350
  564   1HD2  LEU  83          HD22      LEU  83 -12.477  -3.644  -3.644
  565   2HD2  LEU  83          HD21      LEU  83 -13.135  -5.045  -5.045
  566   3HD2  LEU  83          HD23      LEU  83 -14.066  -4.271  -4.271
  567    H    ASP  84           HN       ASP  84 -15.179  -2.338  -2.338
  568    HA   ASP  84           HA       ASP  84 -17.274  -3.882  -3.882
  569   1HB   ASP  84           HB2      ASP  84 -15.723  -4.958  -4.958
  570   2HB   ASP  84           HB1      ASP  84 -17.487  -4.992  -4.992
  571    H    GLY  85           HN       GLY  85 -15.504  -1.740  -1.740
  572   1HA   GLY  85           HA2      GLY  85 -16.919   0.380   0.380
  573   2HA   GLY  85           HA1      GLY  85 -18.023  -0.727  -0.727
  574    H    ASP  86           HN       ASP  86 -15.011  -2.007  -2.007
  575    HA   ASP  86           HA       ASP  86 -14.625  -0.341  -0.341
  576   1HB   ASP  86           HB2      ASP  86 -13.817  -2.500  -2.500
  577   2HB   ASP  86           HB1      ASP  86 -15.547  -2.451  -2.451
  578    H    ASN  87           HN       ASN  87 -12.240  -0.511  -0.511
  579    HA   ASN  87           HA       ASN  87 -10.538  -0.735  -0.735
  580   1HB   ASN  87           HB2      ASN  87  -9.489   0.563   0.563
  581   2HB   ASN  87           HB1      ASN  87  -9.260   1.014   1.014
  582   1HD2  ASN  87          HD22      ASN  87 -11.733   3.498   3.498
  583   2HD2  ASN  87          HD21      ASN  87 -10.273   2.966   2.966
  584    H    VAL  88           HN       VAL  88  -8.380  -1.647  -1.647
  585    HA   VAL  88           HA       VAL  88  -8.498  -4.108  -4.108
  586    HB   VAL  88           HB       VAL  88  -6.136  -2.641  -2.641
  587   1HG1  VAL  88          HG12      VAL  88  -6.389  -5.408  -5.408
  588   2HG1  VAL  88          HG11      VAL  88  -5.110  -4.983  -4.983
  589   3HG1  VAL  88          HG13      VAL  88  -5.221  -4.152  -4.152
  590   1HG2  VAL  88          HG22      VAL  88  -7.973  -4.856  -4.856
  591   2HG2  VAL  88          HG21      VAL  88  -7.732  -3.279  -3.279
  592   3HG2  VAL  88          HG23      VAL  88  -6.445  -4.481  -4.481
  593    H    ASN  89           HN       ASN  89  -6.727  -4.679  -4.679
  594    HA   ASN  89           HA       ASN  89  -7.013  -2.692  -2.692
  595   1HB   ASN  89           HB2      ASN  89  -6.049  -4.391  -4.391
  596   2HB   ASN  89           HB1      ASN  89  -7.281  -5.123  -5.123
  597   1HD2  ASN  89          HD21      ASN  89  -5.815  -7.109  -7.109
  598   2HD2  ASN  89          HD22      ASN  89  -4.545  -7.490  -7.490
  599    H    GLY  90           HN       GLY  90  -5.187  -2.034  -2.034
  600   1HA   GLY  90           HA2      GLY  90  -2.910  -1.206  -1.206
  601   2HA   GLY  90           HA1      GLY  90  -2.509  -2.175  -2.175
  602    H    PHE  91           HN       PHE  91  -5.240  -0.088  -0.088
  603    HA   PHE  91           HA       PHE  91  -3.600   1.713   1.713
  604   1HB   PHE  91           HB2      PHE  91  -6.221   0.435   0.435
  605   2HB   PHE  91           HB1      PHE  91  -6.034   2.082   2.082
  606    HD1  PHE  91           HD1      PHE  91  -4.443  -1.268  -1.268
  607    HD2  PHE  91           HD2      PHE  91  -4.720   2.509   2.509
  608    HE1  PHE  91           HE1      PHE  91  -2.987  -2.101  -2.101
  609    HE2  PHE  91           HE2      PHE  91  -3.283   1.694   1.694
  610    HZ   PHE  91           HZ       PHE  91  -2.431  -0.646  -0.646
  611    HA   PRO  92           HA       PRO  92  -6.611   4.677   4.677
  612   1HB   PRO  92           HB2      PRO  92  -7.671   3.882   3.882
  613   2HB   PRO  92           HB1      PRO  92  -8.523   3.733   3.733
  614   1HG   PRO  92           HG2      PRO  92  -7.211   1.613   1.613
  615   2HG   PRO  92           HG1      PRO  92  -8.548   1.476   1.476
  616   1HD   PRO  92           HD2      PRO  92  -5.867   0.772   0.772
  617   2HD   PRO  92           HD1      PRO  92  -7.123   0.970   0.970
  618    H    LYS  93           HN       LYS  93  -3.958   3.102   3.102
  619    HA   LYS  93           HA       LYS  93  -3.278   4.593   4.593
  620   1HB   LYS  93           HB2      LYS  93  -2.826   2.057   2.057
  621   2HB   LYS  93           HB1      LYS  93  -1.558   2.571   2.571
  622   1HG   LYS  93           HG2      LYS  93  -0.229   3.392   3.392
  623   2HG   LYS  93           HG1      LYS  93  -1.604   3.937   3.937
  624   1HD   LYS  93           HD2      LYS  93  -1.997   1.269   1.269
  625   2HD   LYS  93           HD1      LYS  93  -0.241   1.295   1.295
  626   1HE   LYS  93           HE2      LYS  93  -1.915   2.637   2.637
  627   2HE   LYS  93           HE1      LYS  93  -0.667   1.408   1.408
  628   1HZ   LYS  93           HZ1      LYS  93   0.932   3.042   3.042
  629   2HZ   LYS  93           HZ3      LYS  93  -0.292   4.214   4.214
  630   3HZ   LYS  93           HZ2      LYS  93   0.269   3.503   3.503
  631    H    THR  94           HN       THR  94  -0.842   5.313   5.313
  632    HA   THR  94           HA       THR  94  -0.462   6.581   6.581
  633    HB   THR  94           HB       THR  94   0.023   7.925   7.925
  634    HG1  THR  94           HG1      THR  94  -2.215   7.502   7.502
  635   1HG2  THR  94          HG21      THR  94   1.291   8.548   8.548
  636   2HG2  THR  94          HG23      THR  94  -0.253   9.234   9.234
  637   3HG2  THR  94          HG22      THR  94   0.547   9.839   9.839
  638    H    VAL  95           HN       VAL  95   1.538   6.394   6.394
  639    HA   VAL  95           HA       VAL  95   3.566   5.212   5.212
  640    HB   VAL  95           HB       VAL  95   3.253   5.223   5.223
  641   1HG1  VAL  95          HG12      VAL  95   5.598   6.009   6.009
  642   2HG1  VAL  95          HG11      VAL  95   5.818   4.471   4.471
  643   3HG1  VAL  95          HG13      VAL  95   5.510   4.496   4.496
  644   1HG2  VAL  95          HG22      VAL  95   3.149   3.348   3.348
  645   2HG2  VAL  95          HG21      VAL  95   2.654   3.119   3.119
  646   3HG2  VAL  95          HG23      VAL  95   4.330   2.835   2.835
  647    H    THR  96           HN       THR  96   5.758   6.212   6.212
  648    HA   THR  96           HA       THR  96   5.521   9.124   9.124
  649    HB   THR  96           HB       THR  96   7.088   7.844   7.844
  650    HG1  THR  96           HG1      THR  96   5.329   8.011   8.011
  651   1HG2  THR  96          HG23      THR  96   6.427  10.713  10.713
  652   2HG2  THR  96          HG22      THR  96   7.128  10.215  10.215
  653   3HG2  THR  96          HG21      THR  96   8.029   9.975   9.975
  654    H    VAL  97           HN       VAL  97   7.253  10.267  10.267
  655    HA   VAL  97           HA       VAL  97   9.811   8.905   8.905
  656    HB   VAL  97           HB       VAL  97   7.951  10.182  10.182
  657   1HG1  VAL  97          HG11      VAL  97  10.972  10.202  10.202
  658   2HG1  VAL  97          HG13      VAL  97   9.960  10.408  10.408
  659   3HG1  VAL  97          HG12      VAL  97   9.891  11.592  11.592
  660   1HG2  VAL  97          HG22      VAL  97   9.530   7.713   7.713
  661   2HG2  VAL  97          HG21      VAL  97   7.995   7.945   7.945
  662   3HG2  VAL  97          HG23      VAL  97   9.501   8.364   8.364
  663    H    LYS  98           HN       LYS  98  11.493  10.249  10.249
  664    HA   LYS  98           HA       LYS  98  10.767  13.105  13.105
  665   1HB   LYS  98           HB2      LYS  98  11.790  11.115  11.115
  666   2HB   LYS  98           HB1      LYS  98  12.940  12.446  12.446
  667   1HG   LYS  98           HG2      LYS  98  10.158  13.354  13.354
  668   2HG   LYS  98           HG1      LYS  98  10.671  12.445  12.445
  669   1HD   LYS  98           HD2      LYS  98  12.831  13.955  13.955
  670   2HD   LYS  98           HD1      LYS  98  11.747  15.023  15.023
  671   1HE   LYS  98           HE2      LYS  98  10.647  13.931  13.931
  672   2HE   LYS  98           HE1      LYS  98  11.998  15.048  15.048
  673   1HZ   LYS  98           HZ1      LYS  98   9.947  15.829  15.829
  674   2HZ   LYS  98           HZ3      LYS  98   9.483  15.839  15.839
  675   3HZ   LYS  98           HZ2      LYS  98  10.810  16.772  16.772
  676    HA   PRO  99           HA       PRO  99  15.322  13.434  13.434
  677   1HB   PRO  99           HB2      PRO  99  16.804  11.160  11.160
  678   2HB   PRO  99           HB1      PRO  99  16.641  11.966  11.966
  679   1HG   PRO  99           HG2      PRO  99  15.365   9.448   9.448
  680   2HG   PRO  99           HG1      PRO  99  15.771   9.942   9.942
  681   1HD   PRO  99           HD2      PRO  99  13.206  10.018  10.018
  682   2HD   PRO  99           HD1      PRO  99  13.696  10.838  10.838
  683    H    ALA 100           HN       ALA 100  14.154  14.036  14.036
  684    HA   ALA 100           HA       ALA 100  14.555  12.117  12.117
  685   1HB   ALA 100           HB1      ALA 100  12.293  13.453  13.453
  686   2HB   ALA 100           HB3      ALA 100  13.100  14.701  14.701
  687   3HB   ALA 100           HB2      ALA 100  12.781  13.119  13.119

  Start of MODEL    3
    1   1H    ALA   1           HT3      ALA   1 -17.966 -12.587 -12.587
    2   2H    ALA   1           HT2      ALA   1 -18.786 -11.214 -11.214
    3   3H    ALA   1           HT1      ALA   1 -19.250 -11.933 -11.933
    4    HA   ALA   1           HA       ALA   1 -17.522 -11.061 -11.061
    5   1HB   ALA   1           HB2      ALA   1 -18.701  -9.298  -9.298
    6   2HB   ALA   1           HB1      ALA   1 -17.042  -8.805  -8.805
    7   3HB   ALA   1           HB3      ALA   1 -18.185  -8.933  -8.933
    8    H    ASP   2           HN       ASP   2 -15.481  -9.294  -9.294
    9    HA   ASP   2           HA       ASP   2 -13.629 -11.282 -11.282
   10   1HB   ASP   2           HB2      ASP   2 -12.981 -10.823 -10.823
   11   2HB   ASP   2           HB1      ASP   2 -13.169  -9.090  -9.090
   12    HA   PRO   3           HA       PRO   3 -13.659  -7.300  -7.300
   13   1HB   PRO   3           HB2      PRO   3 -15.379  -7.997  -7.997
   14   2HB   PRO   3           HB1      PRO   3 -15.898  -7.107  -7.107
   15   1HG   PRO   3           HG2      PRO   3 -16.324  -9.986  -9.986
   16   2HG   PRO   3           HG1      PRO   3 -17.334  -8.903  -8.903
   17   1HD   PRO   3           HD2      PRO   3 -15.586 -10.843 -10.843
   18   2HD   PRO   3           HD1      PRO   3 -16.263  -9.464  -9.464
   19    H    GLU   4           HN       GLU   4 -13.107 -10.577 -10.577
   20    HA   GLU   4           HA       GLU   4 -11.613 -10.374 -10.374
   21   1HB   GLU   4           HB2      GLU   4 -13.787 -11.992 -11.992
   22   2HB   GLU   4           HB1      GLU   4 -12.400 -13.056 -13.056
   23   1HG   GLU   4           HG2      GLU   4 -12.016 -11.458 -11.458
   24   2HG   GLU   4           HG1      GLU   4 -13.571 -12.287 -12.287
   25    H    LYS   5           HN       LYS   5 -11.143 -10.551 -10.551
   26    HA   LYS   5           HA       LYS   5  -8.580 -11.999 -11.999
   27   1HB   LYS   5           HB2      LYS   5 -10.372 -12.531 -12.531
   28   2HB   LYS   5           HB1      LYS   5  -8.902 -13.391 -13.391
   29   1HG   LYS   5           HG2      LYS   5 -10.398 -13.687 -13.687
   30   2HG   LYS   5           HG1      LYS   5 -11.657 -13.690 -13.690
   31   1HD   LYS   5           HD2      LYS   5 -11.123 -15.913 -15.913
   32   2HD   LYS   5           HD1      LYS   5  -9.846 -15.316 -15.316
   33   1HE   LYS   5           HE2      LYS   5  -8.416 -15.067 -15.067
   34   2HE   LYS   5           HE1      LYS   5  -9.647 -16.030 -16.030
   35   1HZ   LYS   5           HZ1      LYS   5  -8.597 -17.027 -17.027
   36   2HZ   LYS   5           HZ3      LYS   5  -7.591 -17.134 -17.134
   37   3HZ   LYS   5           HZ2      LYS   5  -9.115 -17.884 -17.884
   38    H    SER   6           HN       SER   6  -9.238  -9.231  -9.231
   39    HA   SER   6           HA       SER   6  -8.178  -8.576  -8.576
   40   1HB   SER   6           HB2      SER   6  -9.730  -6.874  -6.874
   41   2HB   SER   6           HB1      SER   6  -9.099  -6.308  -6.308
   42    HG   SER   6           HG       SER   6 -11.174  -8.112  -8.112
   43    H    TYR   7           HN       TYR   7  -6.020  -8.184  -8.184
   44    HA   TYR   7           HA       TYR   7  -5.082  -6.489  -6.489
   45   1HB   TYR   7           HB2      TYR   7  -2.905  -8.071  -8.071
   46   2HB   TYR   7           HB1      TYR   7  -4.152  -8.381  -8.381
   47    HD1  TYR   7           HD1      TYR   7  -6.164  -9.849  -9.849
   48    HD2  TYR   7           HD2      TYR   7  -2.455  -9.661  -9.661
   49    HE1  TYR   7           HE1      TYR   7  -6.694 -12.009 -12.009
   50    HE2  TYR   7           HE2      TYR   7  -2.985 -11.821 -11.821
   51    HH   TYR   7           HH       TYR   7  -5.872 -13.102 -13.102
   52    H    ALA   8           HN       ALA   8  -3.525  -4.996  -4.996
   53    HA   ALA   8           HA       ALA   8  -2.554  -4.951  -4.951
   54   1HB   ALA   8           HB2      ALA   8  -3.820  -2.881  -2.881
   55   2HB   ALA   8           HB1      ALA   8  -2.306  -2.357  -2.357
   56   3HB   ALA   8           HB3      ALA   8  -3.621  -2.946  -2.946
   57    H    GLU   9           HN       GLU   9  -0.355  -5.224  -5.224
   58    HA   GLU   9           HA       GLU   9   1.262  -4.071  -4.071
   59   1HB   GLU   9           HB2      GLU   9   2.657  -6.255  -6.255
   60   2HB   GLU   9           HB1      GLU   9   1.131  -6.302  -6.302
   61   1HG   GLU   9           HG2      GLU   9  -0.006  -7.254  -7.254
   62   2HG   GLU   9           HG1      GLU   9   1.471  -7.129  -7.129
   63    H    GLY  10           HN       GLY  10   3.269  -3.360  -3.360
   64   1HA   GLY  10           HA2      GLY  10   4.436  -4.113  -4.113
   65   2HA   GLY  10           HA1      GLY  10   3.771  -2.483  -2.483
   66    HA   PRO  11           HA       PRO  11   8.019  -2.374  -2.374
   67   1HB   PRO  11           HB2      PRO  11   9.389  -1.375  -1.375
   68   2HB   PRO  11           HB1      PRO  11   9.269  -3.107  -3.107
   69   1HG   PRO  11           HG2      PRO  11   7.881  -1.529  -1.529
   70   2HG   PRO  11           HG1      PRO  11   8.282  -3.254  -3.254
   71   1HD   PRO  11           HD2      PRO  11   5.734  -2.129  -2.129
   72   2HD   PRO  11           HD1      PRO  11   6.222  -3.804  -3.804
   73    H    GLY  12           HN       GLY  12   5.557  -0.573  -0.573
   74   1HA   GLY  12           HA2      GLY  12   6.874   2.059   2.059
   75   2HA   GLY  12           HA1      GLY  12   5.409   1.820   1.820
   76    H    LEU  13           HN       LEU  13   5.583   3.571   3.571
   77    HA   LEU  13           HA       LEU  13   4.005   4.089   4.089
   78   1HB   LEU  13           HB2      LEU  13   2.093   2.933   2.933
   79   2HB   LEU  13           HB1      LEU  13   2.760   2.074   2.074
   80    HG   LEU  13           HG       LEU  13   3.703   0.776   0.776
   81   1HD1  LEU  13          HD13      LEU  13   1.092   1.969   1.969
   82   2HD1  LEU  13          HD12      LEU  13   0.984   0.210   0.210
   83   3HD1  LEU  13          HD11      LEU  13   2.035   1.055   1.055
   84   1HD2  LEU  13          HD22      LEU  13   2.291   0.175   0.175
   85   2HD2  LEU  13          HD21      LEU  13   3.387  -0.842  -0.842
   86   3HD2  LEU  13          HD23      LEU  13   1.675  -0.778  -0.778
   87    H    ASP  14           HN       ASP  14   6.458   1.893   1.893
   88    HA   ASP  14           HA       ASP  14   6.331   0.946   0.946
   89   1HB   ASP  14           HB2      ASP  14   8.890   1.600   1.600
   90   2HB   ASP  14           HB1      ASP  14   8.549   0.262   0.262
   91    H    GLY  15           HN       GLY  15   7.020   3.932   3.932
   92   1HA   GLY  15           HA2      GLY  15   7.330   6.057   6.057
   93   2HA   GLY  15           HA1      GLY  15   7.406   5.250   5.250
   94    H    GLY  16           HN       GLY  16   9.221   5.915   5.915
   95   1HA   GLY  16           HA2      GLY  16  11.524   6.124   6.124
   96   2HA   GLY  16           HA1      GLY  16  11.754   4.940   4.940
   97    H    GLU  17           HN       GLU  17  11.217   6.054   6.054
   98    HA   GLU  17           HA       GLU  17  12.659   8.674   8.674
   99   1HB   GLU  17           HB2      GLU  17  13.031   6.297   6.297
  100   2HB   GLU  17           HB1      GLU  17  13.591   7.890   7.890
  101   1HG   GLU  17           HG2      GLU  17  15.129   8.004   8.004
  102   2HG   GLU  17           HG1      GLU  17  14.316   6.718   6.718
  103    H    CYS  18           HN       CYS  18  11.981  10.223  10.223
  104    HA   CYS  18           HA       CYS  18   9.364   9.837   9.837
  105   1HB   CYS  18           HB2      CYS  18  11.005  12.232  12.232
  106   2HB   CYS  18           HB1      CYS  18   9.936  12.362  12.362
  107    HG   CYS  18           HG       CYS  18   8.488  12.988  12.988
  108    H    PHE  19           HN       PHE  19  12.703   9.982   9.982
  109    HA   PHE  19           HA       PHE  19  12.074  10.599  10.599
  110   1HB   PHE  19           HB2      PHE  19  14.666  10.142  10.142
  111   2HB   PHE  19           HB1      PHE  19  14.595  10.288  10.288
  112    HD1  PHE  19           HD2      PHE  19  12.947  11.932  11.932
  113    HD2  PHE  19           HD1      PHE  19  15.048  12.457  12.457
  114    HE1  PHE  19           HE2      PHE  19  12.716  14.370  14.370
  115    HE2  PHE  19           HE1      PHE  19  14.808  14.919  14.919
  116    HZ   PHE  19           HZ       PHE  19  13.627  15.860  15.860
  117    H    GLN  20           HN       GLN  20  11.454   8.038   8.038
  118    HA   GLN  20           HA       GLN  20  12.639   6.079   6.079
  119   1HB   GLN  20           HB2      GLN  20  11.953   5.977   5.977
  120   2HB   GLN  20           HB1      GLN  20  10.848   4.896   4.896
  121   1HG   GLN  20           HG2      GLN  20  13.445   4.523   4.523
  122   2HG   GLN  20           HG1      GLN  20  13.604   4.462   4.462
  123   1HE2  GLN  20          HE22      GLN  20  12.102   1.276   1.276
  124   2HE2  GLN  20          HE21      GLN  20  12.998   2.495   2.495
  125    HA   PRO  21           HA       PRO  21   8.891   6.314   6.314
  126   1HB   PRO  21           HB2      PRO  21   8.968   3.838   3.838
  127   2HB   PRO  21           HB1      PRO  21   9.928   5.229   5.229
  128   1HG   PRO  21           HG2      PRO  21  10.799   2.823   2.823
  129   2HG   PRO  21           HG1      PRO  21  11.724   3.823   3.823
  130   1HD   PRO  21           HD2      PRO  21  11.924   3.985   3.985
  131   2HD   PRO  21           HD1      PRO  21  12.416   5.270   5.270
  132    H    SER  22           HN       SER  22   6.793   5.963   5.963
  133    HA   SER  22           HA       SER  22   6.406   3.718   3.718
  134   1HB   SER  22           HB2      SER  22   4.421   5.853   5.853
  135   2HB   SER  22           HB1      SER  22   4.582   4.880   4.880
  136    HG   SER  22           HG       SER  22   6.402   6.861   6.861
  137    H    LYS  23           HN       LYS  23   5.670   1.917   1.917
  138    HA   LYS  23           HA       LYS  23   3.287   2.231   2.231
  139   1HB   LYS  23           HB2      LYS  23   5.554   0.547   0.547
  140   2HB   LYS  23           HB1      LYS  23   4.175   1.198   1.198
  141   1HG   LYS  23           HG2      LYS  23   5.126   3.517   3.517
  142   2HG   LYS  23           HG1      LYS  23   6.599   2.693   2.693
  143   1HD   LYS  23           HD2      LYS  23   6.641   1.557   1.557
  144   2HD   LYS  23           HD1      LYS  23   5.293   2.587   2.587
  145   1HE   LYS  23           HE2      LYS  23   7.673   3.922   3.922
  146   2HE   LYS  23           HE1      LYS  23   7.834   3.304   3.304
  147   1HZ   LYS  23           HZ3      LYS  23   5.500   4.927   4.927
  148   2HZ   LYS  23           HZ2      LYS  23   6.961   5.673   5.673
  149   3HZ   LYS  23           HZ1      LYS  23   6.148   4.668   4.668
  150    H    PHE  24           HN       PHE  24   1.918   0.584   0.584
  151    HA   PHE  24           HA       PHE  24   3.003  -1.957  -1.957
  152   1HB   PHE  24           HB2      PHE  24   0.557  -1.455  -1.455
  153   2HB   PHE  24           HB1      PHE  24   2.167  -1.702  -1.702
  154    HD1  PHE  24           HD2      PHE  24   3.774   0.404   0.404
  155    HD2  PHE  24           HD1      PHE  24  -0.508   0.545   0.545
  156    HE1  PHE  24           HE2      PHE  24   3.894   2.783   2.783
  157    HE2  PHE  24           HE1      PHE  24  -0.388   2.929   2.929
  158    HZ   PHE  24           HZ       PHE  24   1.830   4.038   4.038
  159    H    LYS  25           HN       LYS  25   1.467  -3.753  -3.753
  160    HA   LYS  25           HA       LYS  25  -0.539  -3.246  -3.246
  161   1HB   LYS  25           HB2      LYS  25   0.720  -5.925  -5.925
  162   2HB   LYS  25           HB1      LYS  25  -0.088  -5.412  -5.412
  163   1HG   LYS  25           HG2      LYS  25   1.850  -3.580  -3.580
  164   2HG   LYS  25           HG1      LYS  25   2.681  -4.816  -4.816
  165   1HD   LYS  25           HD2      LYS  25   1.569  -6.292  -6.292
  166   2HD   LYS  25           HD1      LYS  25   2.014  -4.792  -4.792
  167   1HE   LYS  25           HE2      LYS  25   4.179  -5.399  -5.399
  168   2HE   LYS  25           HE1      LYS  25   3.729  -6.926  -6.926
  169   1HZ   LYS  25           HZ2      LYS  25   3.929  -4.484  -4.484
  170   2HZ   LYS  25           HZ1      LYS  25   5.342  -5.325  -5.325
  171   3HZ   LYS  25           HZ3      LYS  25   4.127  -6.105  -6.105
  172    H    ILE  26           HN       ILE  26  -2.615  -4.089  -4.089
  173    HA   ILE  26           HA       ILE  26  -3.124  -5.124  -5.124
  174    HB   ILE  26           HB       ILE  26  -5.144  -3.845  -3.845
  175   1HG1  ILE  26          HG12      ILE  26  -3.098  -2.587  -2.587
  176   2HG1  ILE  26          HG11      ILE  26  -3.398  -2.225  -2.225
  177   1HG2  ILE  26          HG22      ILE  26  -4.917  -4.145  -4.145
  178   2HG2  ILE  26          HG21      ILE  26  -6.216  -3.298  -3.298
  179   3HG2  ILE  26          HG23      ILE  26  -6.016  -5.036  -5.036
  180   1HD1  ILE  26          HD13      ILE  26  -5.827  -1.663  -1.663
  181   2HD1  ILE  26          HD12      ILE  26  -4.948  -1.407  -1.407
  182   3HD1  ILE  26          HD11      ILE  26  -4.529  -0.471  -0.471
  183    H    HIS  27           HN       HIS  27  -4.601  -6.837  -6.837
  184    HA   HIS  27           HA       HIS  27  -5.474  -8.240  -8.240
  185   1HB   HIS  27           HB2      HIS  27  -4.606 -10.154 -10.154
  186   2HB   HIS  27           HB1      HIS  27  -4.146 -10.043 -10.043
  187    HD1  HIS  27           HD1      HIS  27  -2.475  -7.698  -7.698
  188    HD2  HIS  27           HD2      HIS  27  -2.342  -9.896  -9.896
  189    HE1  HIS  27           HE1      HIS  27  -0.331  -7.054  -7.054
  190    H    ALA  28           HN       ALA  28  -7.604  -8.574  -8.574
  191    HA   ALA  28           HA       ALA  28  -8.758  -8.879  -8.879
  192   1HB   ALA  28           HB3      ALA  28  -9.737  -7.770  -7.770
  193   2HB   ALA  28           HB2      ALA  28 -10.928  -8.597  -8.597
  194   3HB   ALA  28           HB1      ALA  28 -10.037  -7.220  -7.220
  195    H    VAL  29           HN       VAL  29  -9.594 -10.885 -10.885
  196    HA   VAL  29           HA       VAL  29 -10.077 -12.874 -12.874
  197    HB   VAL  29           HB       VAL  29  -8.899 -13.201 -13.201
  198   1HG1  VAL  29          HG12      VAL  29 -10.345 -15.333 -15.333
  199   2HG1  VAL  29          HG11      VAL  29  -9.299 -15.668 -15.668
  200   3HG1  VAL  29          HG13      VAL  29 -10.791 -14.754 -14.754
  201   1HG2  VAL  29          HG23      VAL  29  -7.742 -13.085 -13.085
  202   2HG2  VAL  29          HG22      VAL  29  -7.133 -14.155 -14.155
  203   3HG2  VAL  29          HG21      VAL  29  -8.171 -14.796 -14.796
  204    H    ASP  30           HN       ASP  30 -12.114 -13.571 -13.571
  205    HA   ASP  30           HA       ASP  30 -14.023 -12.798 -12.798
  206   1HB   ASP  30           HB2      ASP  30 -15.597 -12.491 -12.491
  207   2HB   ASP  30           HB1      ASP  30 -14.144 -12.188 -12.188
  208    HA   PRO  31           HA       PRO  31 -15.043 -16.962 -16.962
  209   1HB   PRO  31           HB2      PRO  31 -17.761 -17.185 -17.185
  210   2HB   PRO  31           HB1      PRO  31 -17.003 -16.317 -16.317
  211   1HG   PRO  31           HG2      PRO  31 -18.372 -15.219 -15.219
  212   2HG   PRO  31           HG1      PRO  31 -18.135 -14.479 -14.479
  213   1HD   PRO  31           HD2      PRO  31 -16.653 -13.920 -13.920
  214   2HD   PRO  31           HD1      PRO  31 -16.249 -13.385 -13.385
  215    H    ASP  32           HN       ASP  32 -14.740 -16.277 -16.277
  216    HA   ASP  32           HA       ASP  32 -15.929 -18.891 -18.891
  217   1HB   ASP  32           HB2      ASP  32 -15.372 -16.369 -16.369
  218   2HB   ASP  32           HB1      ASP  32 -15.885 -17.899 -17.899
  219    H    GLY  33           HN       GLY  33 -13.143 -17.752 -17.752
  220   1HA   GLY  33           HA2      GLY  33 -10.915 -18.456 -18.456
  221   2HA   GLY  33           HA1      GLY  33 -11.515 -19.675 -19.675
  222    H    VAL  34           HN       VAL  34 -12.076 -16.214 -16.214
  223    HA   VAL  34           HA       VAL  34 -10.281 -15.905 -15.905
  224    HB   VAL  34           HB       VAL  34 -13.082 -14.914 -14.914
  225   1HG1  VAL  34          HG11      VAL  34 -10.837 -14.935 -14.935
  226   2HG1  VAL  34          HG13      VAL  34 -11.690 -16.360 -16.360
  227   3HG1  VAL  34          HG12      VAL  34 -12.481 -14.784 -14.784
  228   1HG2  VAL  34          HG22      VAL  34 -12.261 -17.821 -17.821
  229   2HG2  VAL  34          HG21      VAL  34 -13.646 -17.121 -17.121
  230   3HG2  VAL  34          HG23      VAL  34 -13.620 -17.186 -17.186
  231    H    HIS  35           HN       HIS  35 -11.336 -13.429 -13.429
  232    HA   HIS  35           HA       HIS  35 -10.755 -11.766 -11.766
  233   1HB   HIS  35           HB2      HIS  35 -10.317 -11.415 -11.415
  234   2HB   HIS  35           HB1      HIS  35 -10.519  -9.981  -9.981
  235    HD1  HIS  35           HD1      HIS  35  -8.198 -12.864 -12.864
  236    HD2  HIS  35           HD2      HIS  35  -8.425  -9.535  -9.535
  237    HE1  HIS  35           HE1      HIS  35  -5.921 -12.625 -12.625
  238    H    ARG  36           HN       ARG  36 -13.195 -12.570 -12.570
  239    HA   ARG  36           HA       ARG  36 -15.492 -12.106 -12.106
  240   1HB   ARG  36           HB2      ARG  36 -15.905  -9.541  -9.541
  241   2HB   ARG  36           HB1      ARG  36 -15.063 -10.341 -10.341
  242   1HG   ARG  36           HG2      ARG  36 -12.893  -9.663  -9.663
  243   2HG   ARG  36           HG1      ARG  36 -13.757  -8.833  -8.833
  244   1HD   ARG  36           HD2      ARG  36 -12.988  -7.674  -7.674
  245   2HD   ARG  36           HD1      ARG  36 -14.243  -7.052  -7.052
  246    HE   ARG  36           HE       ARG  36 -14.726  -8.647  -8.647
  247   1HH1  ARG  36          HH21      ARG  36 -16.103  -7.681  -7.681
  248   2HH1  ARG  36          HH22      ARG  36 -17.584  -7.111  -7.111
  249   1HH2  ARG  36          HH11      ARG  36 -16.514  -7.534  -7.534
  250   2HH2  ARG  36          HH12      ARG  36 -17.816  -7.029  -7.029
  251    H    THR  37           HN       THR  37 -15.231 -12.983 -12.983
  252    HA   THR  37           HA       THR  37 -15.571 -12.731 -12.731
  253    HB   THR  37           HB       THR  37 -17.469 -10.498 -10.498
  254    HG1  THR  37           HG1      THR  37 -18.895 -12.135 -12.135
  255   1HG2  THR  37          HG21      THR  37 -17.127 -12.195 -12.195
  256   2HG2  THR  37          HG23      THR  37 -18.218 -13.184 -13.184
  257   3HG2  THR  37          HG22      THR  37 -18.723 -11.582 -11.582
  258    H    ASP  38           HN       ASP  38 -13.403 -11.721 -11.721
  259    HA   ASP  38           HA       ASP  38 -12.633  -9.102  -9.102
  260   1HB   ASP  38           HB2      ASP  38 -11.644 -11.219 -11.219
  261   2HB   ASP  38           HB1      ASP  38 -12.086 -10.107 -10.107
  262    H    GLY  39           HN       GLY  39 -12.613  -7.270  -7.270
  263   1HA   GLY  39           HA2      GLY  39 -13.644  -6.021  -6.021
  264   2HA   GLY  39           HA1      GLY  39 -14.935  -7.221  -7.221
  265    H    GLY  40           HN       GLY  40 -15.582  -7.272  -7.272
  266   1HA   GLY  40           HA2      GLY  40 -16.509  -4.459  -4.459
  267   2HA   GLY  40           HA1      GLY  40 -17.606  -5.825  -5.825
  268    H    ASP  41           HN       ASP  41 -14.289  -5.004  -5.004
  269    HA   ASP  41           HA       ASP  41 -15.027  -6.198  -6.198
  270   1HB   ASP  41           HB2      ASP  41 -12.354  -5.128  -5.128
  271   2HB   ASP  41           HB1      ASP  41 -12.624  -5.987  -5.987
  272    H    GLY  42           HN       GLY  42 -15.827  -4.848  -4.848
  273   1HA   GLY  42           HA2      GLY  42 -15.833  -1.980  -1.980
  274   2HA   GLY  42           HA1      GLY  42 -16.308  -2.852  -2.852
  275    H    PHE  43           HN       PHE  43 -13.310  -2.263  -2.263
  276    HA   PHE  43           HA       PHE  43 -11.823  -2.125  -2.125
  277   1HB   PHE  43           HB2      PHE  43 -11.270  -3.166  -3.166
  278   2HB   PHE  43           HB1      PHE  43 -10.152  -1.834  -1.834
  279    HD1  PHE  43           HD1      PHE  43  -9.936  -2.049  -2.049
  280    HD2  PHE  43           HD2      PHE  43  -9.832  -5.017  -5.017
  281    HE1  PHE  43           HE1      PHE  43  -8.539  -3.523  -3.523
  282    HE2  PHE  43           HE2      PHE  43  -8.430  -6.476  -6.476
  283    HZ   PHE  43           HZ       PHE  43  -7.788  -5.728  -5.728
  284    H    VAL  44           HN       VAL  44 -11.544  -0.121  -0.121
  285    HA   VAL  44           HA       VAL  44 -10.990   2.100   2.100
  286    HB   VAL  44           HB       VAL  44 -12.969   2.994   2.994
  287   1HG1  VAL  44          HG11      VAL  44 -12.779   0.876   0.876
  288   2HG1  VAL  44          HG13      VAL  44 -13.643   2.312   2.312
  289   3HG1  VAL  44          HG12      VAL  44 -14.174   1.446   1.446
  290   1HG2  VAL  44          HG21      VAL  44 -11.134   4.340   4.340
  291   2HG2  VAL  44          HG23      VAL  44 -12.744   4.497   4.497
  292   3HG2  VAL  44          HG22      VAL  44 -11.539   3.467   3.467
  293    H    VAL  45           HN       VAL  45  -8.897   2.633   2.633
  294    HA   VAL  45           HA       VAL  45  -7.788   2.500   2.500
  295    HB   VAL  45           HB       VAL  45  -6.142   2.308   2.308
  296   1HG1  VAL  45          HG12      VAL  45  -5.764   1.804   1.804
  297   2HG1  VAL  45          HG11      VAL  45  -4.795   0.891   0.891
  298   3HG1  VAL  45          HG13      VAL  45  -4.709   2.653   2.653
  299   1HG2  VAL  45          HG23      VAL  45  -8.098   0.456   0.456
  300   2HG2  VAL  45          HG22      VAL  45  -6.685   0.147   0.147
  301   3HG2  VAL  45          HG21      VAL  45  -6.636  -0.209  -0.209
  302    H    THR  46           HN       THR  46  -6.285   4.176   4.176
  303    HA   THR  46           HA       THR  46  -5.807   6.361   6.361
  304    HB   THR  46           HB       THR  46  -7.005   7.835   7.835
  305    HG1  THR  46           HG1      THR  46  -9.133   6.802   6.802
  306   1HG2  THR  46          HG22      THR  46  -7.246   7.402   7.402
  307   2HG2  THR  46          HG21      THR  46  -8.879   7.280   7.280
  308   3HG2  THR  46          HG23      THR  46  -7.924   8.735   8.735
  309    H    ILE  47           HN       ILE  47  -3.950   7.321   7.321
  310    HA   ILE  47           HA       ILE  47  -3.008   7.177   7.177
  311    HB   ILE  47           HB       ILE  47  -1.509   6.672   6.672
  312   1HG1  ILE  47          HG12      ILE  47  -2.037   5.283   5.283
  313   2HG1  ILE  47          HG11      ILE  47  -1.681   4.609   4.609
  314   1HG2  ILE  47          HG21      ILE  47  -0.283   7.725   7.725
  315   2HG2  ILE  47          HG23      ILE  47   0.623   7.119   7.119
  316   3HG2  ILE  47          HG22      ILE  47  -0.339   8.579   8.579
  317   1HD1  ILE  47          HD13      ILE  47   0.722   5.444   5.444
  318   2HD1  ILE  47          HD12      ILE  47   0.276   5.674   5.674
  319   3HD1  ILE  47          HD11      ILE  47   0.224   4.063   4.063
  320    H    GLU  48           HN       GLU  48  -1.663   8.994   8.994
  321    HA   GLU  48           HA       GLU  48  -1.169  11.121  11.121
  322   1HB   GLU  48           HB2      GLU  48  -2.778  12.728  12.728
  323   2HB   GLU  48           HB1      GLU  48  -3.322  11.932  11.932
  324   1HG   GLU  48           HG2      GLU  48  -4.702  10.512  10.512
  325   2HG   GLU  48           HG1      GLU  48  -3.555  10.289  10.289
  326    H    GLY  49           HN       GLY  49  -0.043  12.868  12.868
  327   1HA   GLY  49           HA2      GLY  49   0.523  12.911  12.911
  328   2HA   GLY  49           HA1      GLY  49   1.883  12.400  12.400
  329    HA   PRO  50           HA       PRO  50   1.817  17.035  17.035
  330   1HB   PRO  50           HB2      PRO  50   4.399  17.310  17.310
  331   2HB   PRO  50           HB1      PRO  50   2.993  17.192  17.192
  332   1HG   PRO  50           HG2      PRO  50   5.054  15.128  15.128
  333   2HG   PRO  50           HG1      PRO  50   4.094  15.335  15.335
  334   1HD   PRO  50           HD2      PRO  50   3.592  13.436  13.436
  335   2HD   PRO  50           HD1      PRO  50   2.439  13.934  13.934
  336    H    ALA  51           HN       ALA  51   1.835  16.215  16.215
  337    HA   ALA  51           HA       ALA  51   4.332  17.178  17.178
  338   1HB   ALA  51           HB1      ALA  51   3.786  14.370  14.370
  339   2HB   ALA  51           HB3      ALA  51   3.718  14.795  14.795
  340   3HB   ALA  51           HB2      ALA  51   5.169  15.145  15.145
  341    HA   PRO  52           HA       PRO  52   1.645  18.368  18.368
  342   1HB   PRO  52           HB2      PRO  52   3.073  17.738  17.738
  343   2HB   PRO  52           HB1      PRO  52   3.476  19.092  19.092
  344   1HG   PRO  52           HG2      PRO  52   4.840  16.455  16.455
  345   2HG   PRO  52           HG1      PRO  52   5.503  18.011  18.011
  346   1HD   PRO  52           HD2      PRO  52   4.789  15.864  15.864
  347   2HD   PRO  52           HD1      PRO  52   5.120  17.532  17.532
  348    H    VAL  53           HN       VAL  53   3.038  15.148  15.148
  349    HA   VAL  53           HA       VAL  53   0.463  14.378  14.378
  350    HB   VAL  53           HB       VAL  53   2.840  12.558  12.558
  351   1HG1  VAL  53          HG13      VAL  53   0.561  12.097  12.097
  352   2HG1  VAL  53          HG12      VAL  53   1.011  13.311  13.311
  353   3HG1  VAL  53          HG11      VAL  53   1.982  11.849  11.849
  354   1HG2  VAL  53          HG21      VAL  53   2.719  15.244  15.244
  355   2HG2  VAL  53          HG23      VAL  53   4.112  14.364  14.364
  356   3HG2  VAL  53          HG22      VAL  53   3.415  13.918  13.918
  357    H    ASP  54           HN       ASP  54  -0.516  14.286  14.286
  358    HA   ASP  54           HA       ASP  54   0.505  12.112  12.112
  359   1HB   ASP  54           HB2      ASP  54  -1.811  14.027  14.027
  360   2HB   ASP  54           HB1      ASP  54  -1.264  12.857  12.857
  361    HA   PRO  55           HA       PRO  55  -3.757  10.296  10.296
  362   1HB   PRO  55           HB2      PRO  55  -5.148  11.496  11.496
  363   2HB   PRO  55           HB1      PRO  55  -5.319  11.963  11.963
  364   1HG   PRO  55           HG2      PRO  55  -3.932  13.403  13.403
  365   2HG   PRO  55           HG1      PRO  55  -4.629  14.047  14.047
  366   1HD   PRO  55           HD2      PRO  55  -1.870  13.556  13.556
  367   2HD   PRO  55           HD1      PRO  55  -2.604  13.973  13.973
  368    H    VAL  56           HN       VAL  56  -2.559   8.542   8.542
  369    HA   VAL  56           HA       VAL  56  -2.503   8.635   8.635
  370    HB   VAL  56           HB       VAL  56  -0.300   7.448   7.448
  371   1HG1  VAL  56          HG11      VAL  56  -0.876   7.976   7.976
  372   2HG1  VAL  56          HG13      VAL  56   0.798   8.166   8.166
  373   3HG1  VAL  56          HG12      VAL  56  -0.025   6.622   6.622
  374   1HG2  VAL  56          HG23      VAL  56  -0.623   9.970   9.970
  375   2HG2  VAL  56          HG22      VAL  56   0.964   9.475   9.475
  376   3HG2  VAL  56          HG21      VAL  56  -0.212  10.178  10.178
  377    H    MET  57           HN       MET  57  -4.219   7.082   7.082
  378    HA   MET  57           HA       MET  57  -3.339   4.373   4.373
  379   1HB   MET  57           HB2      MET  57  -5.369   3.795   3.795
  380   2HB   MET  57           HB1      MET  57  -4.912   5.356   5.356
  381   1HG   MET  57           HG2      MET  57  -6.972   6.071   6.071
  382   2HG   MET  57           HG1      MET  57  -6.399   6.015   6.015
  383   1HE   MET  57           HE1      MET  57  -7.731   5.375   5.375
  384   2HE   MET  57           HE3      MET  57  -6.969   3.795   3.795
  385   3HE   MET  57           HE2      MET  57  -8.724   3.927   3.927
  386    H    VAL  58           HN       VAL  58  -3.778   2.815   2.815
  387    HA   VAL  58           HA       VAL  58  -5.595   3.528   3.528
  388    HB   VAL  58           HB       VAL  58  -3.375   1.719   1.719
  389   1HG1  VAL  58          HG11      VAL  58  -5.108   3.709   3.709
  390   2HG1  VAL  58          HG13      VAL  58  -3.426   3.961   3.961
  391   3HG1  VAL  58          HG12      VAL  58  -4.202   2.403   2.403
  392   1HG2  VAL  58          HG21      VAL  58  -2.281   3.369   3.369
  393   2HG2  VAL  58          HG23      VAL  58  -1.639   3.401   3.401
  394   3HG2  VAL  58          HG22      VAL  58  -2.761   4.652   4.652
  395    H    ASP  59           HN       ASP  59  -6.547   1.651   1.651
  396    HA   ASP  59           HA       ASP  59  -6.499  -0.835  -0.835
  397   1HB   ASP  59           HB2      ASP  59  -8.598   0.118   0.118
  398   2HB   ASP  59           HB1      ASP  59  -8.837   0.702   0.702
  399    H    ASN  60           HN       ASN  60  -5.919  -2.589  -2.589
  400    HA   ASN  60           HA       ASN  60  -5.809  -2.304  -2.304
  401   1HB   ASN  60           HB2      ASN  60  -4.122  -3.498  -3.498
  402   2HB   ASN  60           HB1      ASN  60  -5.070  -4.889  -4.889
  403   1HD2  ASN  60          HD22      ASN  60  -2.243  -3.477  -3.477
  404   2HD2  ASN  60          HD21      ASN  60  -2.356  -3.066  -3.066
  405    H    GLY  61           HN       GLY  61  -7.962  -3.705  -3.705
  406   1HA   GLY  61           HA2      GLY  61 -10.065  -4.660  -4.660
  407   2HA   GLY  61           HA1      GLY  61  -9.608  -4.690  -4.690
  408    H    ASP  62           HN       ASP  62  -7.030  -6.004  -6.004
  409    HA   ASP  62           HA       ASP  62  -7.942  -8.744  -8.744
  410   1HB   ASP  62           HB2      ASP  62  -5.511  -9.306  -9.306
  411   2HB   ASP  62           HB1      ASP  62  -5.774  -8.142  -8.142
  412    H    GLY  63           HN       GLY  63  -8.945  -7.335  -7.335
  413   1HA   GLY  63           HA2      GLY  63  -9.528  -8.097  -8.097
  414   2HA   GLY  63           HA1      GLY  63  -8.515  -9.510  -9.510
  415    H    THR  64           HN       THR  64  -6.511  -7.086  -7.086
  416    HA   THR  64           HA       THR  64  -5.609  -6.707  -6.707
  417    HB   THR  64           HB       THR  64  -3.276  -6.573  -6.573
  418    HG1  THR  64           HG1      THR  64  -3.249  -7.963  -7.963
  419   1HG2  THR  64          HG23      THR  64  -4.732  -8.628  -8.628
  420   2HG2  THR  64          HG22      THR  64  -4.047  -9.369  -9.369
  421   3HG2  THR  64          HG21      THR  64  -2.988  -8.602  -8.602
  422    H    TYR  65           HN       TYR  65  -4.770  -4.625  -4.625
  423    HA   TYR  65           HA       TYR  65  -5.081  -2.613  -2.613
  424   1HB   TYR  65           HB2      TYR  65  -5.834  -2.373  -2.373
  425   2HB   TYR  65           HB1      TYR  65  -5.855  -1.029  -1.029
  426    HD1  TYR  65           HD2      TYR  65  -6.998  -4.609  -4.609
  427    HD2  TYR  65           HD1      TYR  65  -7.896  -0.571  -0.571
  428    HE1  TYR  65           HE2      TYR  65  -9.171  -5.349  -5.349
  429    HE2  TYR  65           HE1      TYR  65 -10.078  -1.309  -1.309
  430    HH   TYR  65           HH       TYR  65 -11.001  -3.656  -3.656
  431    H    ASP  66           HN       ASP  66  -3.661  -0.733  -0.733
  432    HA   ASP  66           HA       ASP  66  -1.325  -1.188  -1.188
  433   1HB   ASP  66           HB2      ASP  66  -0.705  -1.954  -1.954
  434   2HB   ASP  66           HB1      ASP  66  -1.234  -0.421  -0.421
  435    H    VAL  67           HN       VAL  67  -0.667   0.632   0.632
  436    HA   VAL  67           HA       VAL  67  -1.696   3.237   3.237
  437    HB   VAL  67           HB       VAL  67  -2.323   3.886   3.886
  438   1HG1  VAL  67          HG12      VAL  67  -2.830   0.904   0.904
  439   2HG1  VAL  67          HG11      VAL  67  -3.725   2.021   2.021
  440   3HG1  VAL  67          HG13      VAL  67  -3.832   2.162   2.162
  441   1HG2  VAL  67          HG22      VAL  67  -0.531   1.659   1.659
  442   2HG2  VAL  67          HG21      VAL  67  -0.467   3.367   3.367
  443   3HG2  VAL  67          HG23      VAL  67  -1.747   2.340   2.340
  444    H    GLU  68           HN       GLU  68  -0.168   5.046   5.046
  445    HA   GLU  68           HA       GLU  68   2.424   4.387   4.387
  446   1HB   GLU  68           HB2      GLU  68   2.523   5.454   5.454
  447   2HB   GLU  68           HB1      GLU  68   3.753   4.557   4.557
  448   1HG   GLU  68           HG2      GLU  68   2.902   3.001   3.001
  449   2HG   GLU  68           HG1      GLU  68   2.088   2.574   2.574
  450    H    PHE  69           HN       PHE  69   3.158   6.144   6.144
  451    HA   PHE  69           HA       PHE  69   2.703   8.823   8.823
  452   1HB   PHE  69           HB2      PHE  69   2.141   9.882   9.882
  453   2HB   PHE  69           HB1      PHE  69   1.089   8.475   8.475
  454    HD1  PHE  69           HD2      PHE  69   2.275   6.233   6.233
  455    HD2  PHE  69           HD1      PHE  69   3.196  10.272  10.272
  456    HE1  PHE  69           HE2      PHE  69   3.186   5.434   5.434
  457    HE2  PHE  69           HE1      PHE  69   4.107   9.471   9.471
  458    HZ   PHE  69           HZ       PHE  69   4.091   7.028   7.028
  459    H    GLU  70           HN       GLU  70   4.457  10.370  10.370
  460    HA   GLU  70           HA       GLU  70   6.757   9.176   9.176
  461   1HB   GLU  70           HB2      GLU  70   8.271   9.439   9.439
  462   2HB   GLU  70           HB1      GLU  70   6.925   8.397   8.397
  463   1HG   GLU  70           HG2      GLU  70   6.546   9.780   9.780
  464   2HG   GLU  70           HG1      GLU  70   6.051  11.006  11.006
  465    HA   PRO  71           HA       PRO  71   6.667  13.662  13.662
  466   1HB   PRO  71           HB2      PRO  71   7.501  13.414  13.414
  467   2HB   PRO  71           HB1      PRO  71   5.812  13.246  13.246
  468   1HG   PRO  71           HG2      PRO  71   7.724  11.136  11.136
  469   2HG   PRO  71           HG1      PRO  71   5.954  11.119  11.119
  470   1HD   PRO  71           HD2      PRO  71   7.649   9.858   9.858
  471   2HD   PRO  71           HD1      PRO  71   5.881  10.009  10.009
  472    H    LYS  72           HN       LYS  72   8.486  15.037  15.037
  473    HA   LYS  72           HA       LYS  72  11.220  13.927  13.927
  474   1HB   LYS  72           HB2      LYS  72  11.627  16.398  16.398
  475   2HB   LYS  72           HB1      LYS  72  11.203  15.046  15.046
  476   1HG   LYS  72           HG2      LYS  72   8.898  15.689  15.689
  477   2HG   LYS  72           HG1      LYS  72   9.118  16.841  16.841
  478   1HD   LYS  72           HD2      LYS  72  10.880  17.283  17.283
  479   2HD   LYS  72           HD1      LYS  72   9.161  17.523  17.523
  480   1HE   LYS  72           HE2      LYS  72  10.599  18.769  18.769
  481   2HE   LYS  72           HE1      LYS  72  10.378  19.590  19.590
  482   1HZ   LYS  72           HZ3      LYS  72   7.952  18.434  18.434
  483   2HZ   LYS  72           HZ2      LYS  72   8.602  19.547  19.547
  484   3HZ   LYS  72           HZ1      LYS  72   8.267  20.026  20.026
  485    H    GLU  73           HN       GLU  73   9.703  14.640  14.640
  486    HA   GLU  73           HA       GLU  73  11.781  16.378  16.378
  487   1HB   GLU  73           HB2      GLU  73  10.252  18.024  18.024
  488   2HB   GLU  73           HB1      GLU  73   9.919  17.887  17.887
  489   1HG   GLU  73           HG2      GLU  73   7.803  17.243  17.243
  490   2HG   GLU  73           HG1      GLU  73   8.357  15.936  15.936
  491    H    ALA  74           HN       ALA  74  10.112  16.785  16.785
  492    HA   ALA  74           HA       ALA  74  10.283  14.026  14.026
  493   1HB   ALA  74           HB2      ALA  74  11.252  16.358  16.358
  494   2HB   ALA  74           HB1      ALA  74   9.671  16.286  16.286
  495   3HB   ALA  74           HB3      ALA  74  10.817  14.961  14.961
  496    H    GLY  75           HN       GLY  75   8.374  12.926  12.926
  497   1HA   GLY  75           HA2      GLY  75   5.926  14.369  14.369
  498   2HA   GLY  75           HA1      GLY  75   5.960  13.803  13.803
  499    H    ASP  76           HN       ASP  76   4.063  12.942  12.942
  500    HA   ASP  76           HA       ASP  76   4.853  10.093  10.093
  501   1HB   ASP  76           HB2      ASP  76   2.739  10.170  10.170
  502   2HB   ASP  76           HB1      ASP  76   4.193  10.966  10.966
  503    H    TYR  77           HN       TYR  77   3.179   8.540   8.540
  504    HA   TYR  77           HA       TYR  77   1.509   9.606   9.606
  505   1HB   TYR  77           HB2      TYR  77   2.212   6.710   6.710
  506   2HB   TYR  77           HB1      TYR  77   1.705   7.554   7.554
  507    HD1  TYR  77           HD2      TYR  77   3.459   9.966   9.966
  508    HD2  TYR  77           HD1      TYR  77   4.265   5.793   5.793
  509    HE1  TYR  77           HE2      TYR  77   5.799  10.328  10.328
  510    HE2  TYR  77           HE1      TYR  77   6.604   6.142   6.142
  511    HH   TYR  77           HH       TYR  77   8.086   7.602   7.602
  512    H    VAL  78           HN       VAL  78  -0.595   9.217   9.217
  513    HA   VAL  78           HA       VAL  78  -1.725   7.529   7.529
  514    HB   VAL  78           HB       VAL  78  -2.618   9.672   9.672
  515   1HG1  VAL  78          HG12      VAL  78  -2.359   9.869   9.869
  516   2HG1  VAL  78          HG11      VAL  78  -3.692  10.768  10.768
  517   3HG1  VAL  78          HG13      VAL  78  -2.035  11.080  11.080
  518   1HG2  VAL  78          HG23      VAL  78  -4.513   8.229   8.229
  519   2HG2  VAL  78          HG22      VAL  78  -4.386   7.997   7.997
  520   3HG2  VAL  78          HG21      VAL  78  -4.980   9.527   9.527
  521    H    ILE  79           HN       ILE  79  -2.746   5.738   5.738
  522    HA   ILE  79           HA       ILE  79  -3.110   5.544   5.544
  523    HB   ILE  79           HB       ILE  79  -3.131   3.047   3.047
  524   1HG1  ILE  79          HG12      ILE  79  -0.450   3.330   3.330
  525   2HG1  ILE  79          HG11      ILE  79  -0.890   5.008   5.008
  526   1HG2  ILE  79          HG23      ILE  79  -3.113   3.335   3.335
  527   2HG2  ILE  79          HG22      ILE  79  -1.444   3.880   3.880
  528   3HG2  ILE  79          HG21      ILE  79  -1.890   2.245   2.245
  529   1HD1  ILE  79          HD13      ILE  79  -2.401   3.938   3.938
  530   2HD1  ILE  79          HD12      ILE  79  -1.273   2.591   2.591
  531   3HD1  ILE  79          HD11      ILE  79  -0.681   4.195   4.195
  532    H    ASN  80           HN       ASN  80  -4.775   4.282   4.282
  533    HA   ASN  80           HA       ASN  80  -7.098   3.745   3.745
  534   1HB   ASN  80           HB2      ASN  80  -7.494   5.470   5.470
  535   2HB   ASN  80           HB1      ASN  80  -8.574   5.217   5.217
  536   1HD2  ASN  80          HD22      ASN  80  -6.768   7.492   7.492
  537   2HD2  ASN  80          HD21      ASN  80  -7.632   6.031   6.031
  538    H    LEU  81           HN       LEU  81  -7.526   1.718   1.718
  539    HA   LEU  81           HA       LEU  81  -7.708   1.073   1.073
  540   1HB   LEU  81           HB2      LEU  81  -5.561   0.167   0.167
  541   2HB   LEU  81           HB1      LEU  81  -6.136  -0.442  -0.442
  542    HG   LEU  81           HG       LEU  81  -5.800  -2.081  -2.081
  543   1HD1  LEU  81          HD13      LEU  81  -6.987  -2.329  -2.329
  544   2HD1  LEU  81          HD12      LEU  81  -8.459  -2.329  -2.329
  545   3HD1  LEU  81          HD11      LEU  81  -7.220  -3.556  -3.556
  546   1HD2  LEU  81          HD21      LEU  81  -7.684  -0.377  -0.377
  547   2HD2  LEU  81          HD23      LEU  81  -7.254  -1.979  -1.979
  548   3HD2  LEU  81          HD22      LEU  81  -8.629  -1.774  -1.774
  549    H    THR  82           HN       THR  82  -9.771   0.467   0.467
  550    HA   THR  82           HA       THR  82 -11.039  -1.063  -1.063
  551    HB   THR  82           HB       THR  82 -13.153   0.227   0.227
  552    HG1  THR  82           HG1      THR  82 -11.432   1.128   1.128
  553   1HG2  THR  82          HG23      THR  82 -11.501   0.600   0.600
  554   2HG2  THR  82          HG22      THR  82 -11.076   2.057   2.057
  555   3HG2  THR  82          HG21      THR  82 -12.739   1.798   1.798
  556    H    LEU  83           HN       LEU  83 -12.192  -2.829  -2.829
  557    HA   LEU  83           HA       LEU  83 -13.084  -3.140  -3.140
  558   1HB   LEU  83           HB2      LEU  83 -10.877  -4.349  -4.349
  559   2HB   LEU  83           HB1      LEU  83 -11.729  -5.409  -5.409
  560    HG   LEU  83           HG       LEU  83 -11.497  -6.185  -6.185
  561   1HD1  LEU  83          HD12      LEU  83 -13.065  -7.063  -7.063
  562   2HD1  LEU  83          HD11      LEU  83 -14.326  -6.115  -6.115
  563   3HD1  LEU  83          HD13      LEU  83 -13.513  -7.407  -7.407
  564   1HD2  LEU  83          HD21      LEU  83 -12.291  -3.936  -3.936
  565   2HD2  LEU  83          HD23      LEU  83 -13.174  -5.324  -5.324
  566   3HD2  LEU  83          HD22      LEU  83 -13.891  -4.329  -4.329
  567    H    ASP  84           HN       ASP  84 -15.100  -2.557  -2.557
  568    HA   ASP  84           HA       ASP  84 -17.129  -4.182  -4.182
  569   1HB   ASP  84           HB2      ASP  84 -15.402  -4.992  -4.992
  570   2HB   ASP  84           HB1      ASP  84 -17.156  -5.093  -5.093
  571    H    GLY  85           HN       GLY  85 -15.313  -1.866  -1.866
  572   1HA   GLY  85           HA2      GLY  85 -16.731   0.267   0.267
  573   2HA   GLY  85           HA1      GLY  85 -17.802  -0.787  -0.787
  574    H    ASP  86           HN       ASP  86 -14.686  -1.915  -1.915
  575    HA   ASP  86           HA       ASP  86 -14.304  -0.104  -0.104
  576   1HB   ASP  86           HB2      ASP  86 -14.670  -3.026  -3.026
  577   2HB   ASP  86           HB1      ASP  86 -13.230  -2.525  -2.525
  578    H    ASN  87           HN       ASN  87 -11.908  -0.243  -0.243
  579    HA   ASN  87           HA       ASN  87 -10.231  -0.420  -0.420
  580   1HB   ASN  87           HB2      ASN  87  -9.386   0.710   0.710
  581   2HB   ASN  87           HB1      ASN  87  -8.692   1.036   1.036
  582   1HD2  ASN  87          HD22      ASN  87 -10.909   3.682   3.682
  583   2HD2  ASN  87          HD21      ASN  87  -9.506   2.834   2.834
  584    H    VAL  88           HN       VAL  88  -8.136  -1.501  -1.501
  585    HA   VAL  88           HA       VAL  88  -8.317  -4.022  -4.022
  586    HB   VAL  88           HB       VAL  88  -6.183  -2.593  -2.593
  587   1HG1  VAL  88          HG13      VAL  88  -4.997  -3.646  -3.646
  588   2HG1  VAL  88          HG12      VAL  88  -5.721  -5.193  -5.193
  589   3HG1  VAL  88          HG11      VAL  88  -4.591  -4.406  -4.406
  590   1HG2  VAL  88          HG21      VAL  88  -8.056  -3.982  -3.982
  591   2HG2  VAL  88          HG23      VAL  88  -6.432  -4.497  -4.497
  592   3HG2  VAL  88          HG22      VAL  88  -7.325  -5.384  -5.384
  593    H    ASN  89           HN       ASN  89  -6.427  -4.724  -4.724
  594    HA   ASN  89           HA       ASN  89  -6.606  -2.910  -2.910
  595   1HB   ASN  89           HB2      ASN  89  -6.119  -5.683  -5.683
  596   2HB   ASN  89           HB1      ASN  89  -4.752  -5.023  -5.023
  597   1HD2  ASN  89          HD22      ASN  89  -6.771  -5.411  -5.411
  598   2HD2  ASN  89          HD21      ASN  89  -5.381  -5.927  -5.927
  599    H    GLY  90           HN       GLY  90  -4.873  -2.172  -2.172
  600   1HA   GLY  90           HA2      GLY  90  -2.615  -1.192  -1.192
  601   2HA   GLY  90           HA1      GLY  90  -2.188  -2.177  -2.177
  602    H    PHE  91           HN       PHE  91  -5.029  -0.323  -0.323
  603    HA   PHE  91           HA       PHE  91  -3.523   1.544   1.544
  604   1HB   PHE  91           HB2      PHE  91  -6.033   0.063   0.063
  605   2HB   PHE  91           HB1      PHE  91  -6.083   1.734   1.734
  606    HD1  PHE  91           HD1      PHE  91  -4.266  -1.477  -1.477
  607    HD2  PHE  91           HD2      PHE  91  -4.840   2.415   2.415
  608    HE1  PHE  91           HE1      PHE  91  -2.907  -2.112  -2.112
  609    HE2  PHE  91           HE2      PHE  91  -3.488   1.806   1.806
  610    HZ   PHE  91           HZ       PHE  91  -2.533  -0.486  -0.486
  611    HA   PRO  92           HA       PRO  92  -6.602   4.406   4.406
  612   1HB   PRO  92           HB2      PRO  92  -7.663   3.573   3.573
  613   2HB   PRO  92           HB1      PRO  92  -8.491   3.390   3.390
  614   1HG   PRO  92           HG2      PRO  92  -7.122   1.321   1.321
  615   2HG   PRO  92           HG1      PRO  92  -8.443   1.134   1.134
  616   1HD   PRO  92           HD2      PRO  92  -5.733   0.526   0.526
  617   2HD   PRO  92           HD1      PRO  92  -6.984   0.677   0.677
  618    H    LYS  93           HN       LYS  93  -3.892   2.943   2.943
  619    HA   LYS  93           HA       LYS  93  -3.314   4.433   4.433
  620   1HB   LYS  93           HB2      LYS  93  -2.766   1.918   1.918
  621   2HB   LYS  93           HB1      LYS  93  -1.487   2.478   2.478
  622   1HG   LYS  93           HG2      LYS  93  -0.236   3.349   3.349
  623   2HG   LYS  93           HG1      LYS  93  -1.657   3.838   3.838
  624   1HD   LYS  93           HD2      LYS  93  -1.879   1.777   1.777
  625   2HD   LYS  93           HD1      LYS  93  -1.150   0.912   0.912
  626   1HE   LYS  93           HE2      LYS  93   0.842   0.942   0.942
  627   2HE   LYS  93           HE1      LYS  93   0.806   2.705   2.705
  628   1HZ   LYS  93           HZ1      LYS  93  -0.571   2.572   2.572
  629   2HZ   LYS  93           HZ3      LYS  93  -0.395   0.884   0.884
  630   3HZ   LYS  93           HZ2      LYS  93   0.965   1.878   1.878
  631    H    THR  94           HN       THR  94  -0.912   5.234   5.234
  632    HA   THR  94           HA       THR  94  -0.497   6.572   6.572
  633    HB   THR  94           HB       THR  94   0.041   7.838   7.838
  634    HG1  THR  94           HG1      THR  94  -2.231   7.316   7.316
  635   1HG2  THR  94          HG21      THR  94   1.103   8.528   8.528
  636   2HG2  THR  94          HG23      THR  94  -0.471   9.282   9.282
  637   3HG2  THR  94          HG22      THR  94   0.526   9.760   9.760
  638    H    VAL  95           HN       VAL  95   1.506   6.364   6.364
  639    HA   VAL  95           HA       VAL  95   3.513   5.148   5.148
  640    HB   VAL  95           HB       VAL  95   3.235   5.229   5.229
  641   1HG1  VAL  95          HG12      VAL  95   5.783   4.859   4.859
  642   2HG1  VAL  95          HG11      VAL  95   5.553   4.153   4.153
  643   3HG1  VAL  95          HG13      VAL  95   5.508   5.901   5.901
  644   1HG2  VAL  95          HG21      VAL  95   3.000   3.320   3.320
  645   2HG2  VAL  95          HG23      VAL  95   2.672   3.095   3.095
  646   3HG2  VAL  95          HG22      VAL  95   4.296   2.817   2.817
  647    H    THR  96           HN       THR  96   5.704   6.135   6.135
  648    HA   THR  96           HA       THR  96   5.501   9.060   9.060
  649    HB   THR  96           HB       THR  96   6.839   7.630   7.630
  650    HG1  THR  96           HG1      THR  96   4.839   9.593   9.593
  651   1HG2  THR  96          HG23      THR  96   7.268  10.271  10.271
  652   2HG2  THR  96          HG22      THR  96   6.760  10.362  10.362
  653   3HG2  THR  96          HG21      THR  96   8.192   9.432   9.432
  654    H    VAL  97           HN       VAL  97   7.187  10.152  10.152
  655    HA   VAL  97           HA       VAL  97   9.759   8.745   8.745
  656    HB   VAL  97           HB       VAL  97   8.004  10.142  10.142
  657   1HG1  VAL  97          HG13      VAL  97  11.022   9.981   9.981
  658   2HG1  VAL  97          HG12      VAL  97  10.048  10.291  10.291
  659   3HG1  VAL  97          HG11      VAL  97  10.036  11.440  11.440
  660   1HG2  VAL  97          HG22      VAL  97   9.651   7.636   7.636
  661   2HG2  VAL  97          HG21      VAL  97   7.964   7.809   7.809
  662   3HG2  VAL  97          HG23      VAL  97   9.248   8.304   8.304
  663    H    LYS  98           HN       LYS  98  11.550  10.114  10.114
  664    HA   LYS  98           HA       LYS  98  10.954  12.674  12.674
  665   1HB   LYS  98           HB2      LYS  98  13.756  11.730  11.730
  666   2HB   LYS  98           HB1      LYS  98  12.878  12.305  12.305
  667   1HG   LYS  98           HG2      LYS  98  11.559   9.979   9.979
  668   2HG   LYS  98           HG1      LYS  98  13.153   9.547   9.547
  669   1HD   LYS  98           HD2      LYS  98  14.185   9.838   9.838
  670   2HD   LYS  98           HD1      LYS  98  12.946  10.956  10.956
  671   1HE   LYS  98           HE2      LYS  98  11.366   9.179   9.179
  672   2HE   LYS  98           HE1      LYS  98  12.394   8.030   8.030
  673   1HZ   LYS  98           HZ1      LYS  98  13.767   9.270   9.270
  674   2HZ   LYS  98           HZ3      LYS  98  12.358   8.492   8.492
  675   3HZ   LYS  98           HZ2      LYS  98  13.535   7.619   7.619
  676    HA   PRO  99           HA       PRO  99  12.662  15.314  15.314
  677   1HB   PRO  99           HB2      PRO  99  14.999  16.439  16.439
  678   2HB   PRO  99           HB1      PRO  99  13.375  16.930  16.930
  679   1HG   PRO  99           HG2      PRO  99  15.388  15.270  15.270
  680   2HG   PRO  99           HG1      PRO  99  14.120  16.323  16.323
  681   1HD   PRO  99           HD2      PRO  99  13.991  13.538  13.538
  682   2HD   PRO  99           HD1      PRO  99  12.588  14.604  14.604
  683    H    ALA 100           HN       ALA 100  13.029  13.607  13.607
  684    HA   ALA 100           HA       ALA 100  15.040  11.860  11.860
  685   1HB   ALA 100           HB3      ALA 100  13.159  13.219  13.219
  686   2HB   ALA 100           HB2      ALA 100  14.700  13.233  13.233
  687   3HB   ALA 100           HB1      ALA 100  13.991  11.703  11.703

  Start of MODEL    4
    1   1H    ALA   1           HT1      ALA   1 -18.327 -11.637 -11.637
    2   2H    ALA   1           HT3      ALA   1 -19.521 -11.204 -11.204
    3   3H    ALA   1           HT2      ALA   1 -18.542 -12.562 -12.562
    4    HA   ALA   1           HA       ALA   1 -17.532 -11.032 -11.032
    5   1HB   ALA   1           HB2      ALA   1 -19.088  -9.209  -9.209
    6   2HB   ALA   1           HB1      ALA   1 -17.752  -8.878  -8.878
    7   3HB   ALA   1           HB3      ALA   1 -17.526  -8.704  -8.704
    8    H    ASP   2           HN       ASP   2 -15.683  -9.085  -9.085
    9    HA   ASP   2           HA       ASP   2 -13.869 -10.922 -10.922
   10   1HB   ASP   2           HB2      ASP   2 -13.039 -10.740 -10.740
   11   2HB   ASP   2           HB1      ASP   2 -13.235  -8.993  -8.993
   12    HA   PRO   3           HA       PRO   3 -14.201  -6.762  -6.762
   13   1HB   PRO   3           HB2      PRO   3 -15.871  -7.467  -7.467
   14   2HB   PRO   3           HB1      PRO   3 -16.465  -6.780  -6.780
   15   1HG   PRO   3           HG2      PRO   3 -16.589  -9.606  -9.606
   16   2HG   PRO   3           HG1      PRO   3 -17.673  -8.749  -8.749
   17   1HD   PRO   3           HD2      PRO   3 -15.654 -10.573 -10.573
   18   2HD   PRO   3           HD1      PRO   3 -16.498  -9.430  -9.430
   19    H    GLU   4           HN       GLU   4 -13.255  -9.914  -9.914
   20    HA   GLU   4           HA       GLU   4 -11.712  -9.307  -9.307
   21   1HB   GLU   4           HB2      GLU   4 -13.932 -10.778 -10.778
   22   2HB   GLU   4           HB1      GLU   4 -12.809 -12.037 -12.037
   23   1HG   GLU   4           HG2      GLU   4 -11.495 -10.550 -10.550
   24   2HG   GLU   4           HG1      GLU   4 -13.124 -10.892 -10.892
   25    H    LYS   5           HN       LYS   5 -11.369 -10.046 -10.046
   26    HA   LYS   5           HA       LYS   5  -8.922 -11.638 -11.638
   27   1HB   LYS   5           HB2      LYS   5 -11.057 -12.303 -12.303
   28   2HB   LYS   5           HB1      LYS   5  -9.441 -13.011 -13.011
   29   1HG   LYS   5           HG2      LYS   5 -11.315 -13.147 -13.147
   30   2HG   LYS   5           HG1      LYS   5 -11.189 -14.420 -14.420
   31   1HD   LYS   5           HD2      LYS   5  -8.545 -13.696 -13.696
   32   2HD   LYS   5           HD1      LYS   5  -9.535 -14.026 -14.026
   33   1HE   LYS   5           HE2      LYS   5  -8.551 -16.115 -16.115
   34   2HE   LYS   5           HE1      LYS   5 -10.276 -16.166 -16.166
   35   1HZ   LYS   5           HZ1      LYS   5  -9.048 -15.006 -15.006
   36   2HZ   LYS   5           HZ3      LYS   5  -8.075 -16.332 -16.332
   37   3HZ   LYS   5           HZ2      LYS   5  -9.729 -16.560 -16.560
   38    H    SER   6           HN       SER   6  -9.299  -8.884  -8.884
   39    HA   SER   6           HA       SER   6  -8.215  -8.587  -8.587
   40   1HB   SER   6           HB2      SER   6  -9.360  -6.376  -6.376
   41   2HB   SER   6           HB1      SER   6  -9.079  -6.368  -6.368
   42    HG   SER   6           HG       SER   6 -11.163  -7.408  -7.408
   43    H    TYR   7           HN       TYR   7  -6.029  -8.364  -8.364
   44    HA   TYR   7           HA       TYR   7  -4.899  -6.786  -6.786
   45   1HB   TYR   7           HB2      TYR   7  -2.833  -8.270  -8.270
   46   2HB   TYR   7           HB1      TYR   7  -4.240  -9.024  -9.024
   47    HD1  TYR   7           HD1      TYR   7  -5.799 -10.426 -10.426
   48    HD2  TYR   7           HD2      TYR   7  -2.017  -9.004  -9.004
   49    HE1  TYR   7           HE1      TYR   7  -5.874 -12.101 -12.101
   50    HE2  TYR   7           HE2      TYR   7  -2.094 -10.676 -10.676
   51    HH   TYR   7           HH       TYR   7  -3.126 -12.665 -12.665
   52    H    ALA   8           HN       ALA   8  -3.503  -5.173  -5.173
   53    HA   ALA   8           HA       ALA   8  -2.565  -4.974  -4.974
   54   1HB   ALA   8           HB3      ALA   8  -4.051  -3.073  -3.073
   55   2HB   ALA   8           HB2      ALA   8  -2.495  -2.402  -2.402
   56   3HB   ALA   8           HB1      ALA   8  -3.622  -2.984  -2.984
   57    H    GLU   9           HN       GLU   9  -0.354  -5.256  -5.256
   58    HA   GLU   9           HA       GLU   9   1.198  -3.939  -3.939
   59   1HB   GLU   9           HB2      GLU   9   2.433  -5.900  -5.900
   60   2HB   GLU   9           HB1      GLU   9   0.739  -6.392  -6.392
   61   1HG   GLU   9           HG2      GLU   9   1.350  -8.032  -8.032
   62   2HG   GLU   9           HG1      GLU   9   1.517  -6.763  -6.763
   63    H    GLY  10           HN       GLY  10   3.270  -3.326  -3.326
   64   1HA   GLY  10           HA2      GLY  10   4.429  -4.197  -4.197
   65   2HA   GLY  10           HA1      GLY  10   3.797  -2.556  -2.556
   66    HA   PRO  11           HA       PRO  11   8.054  -2.407  -2.407
   67   1HB   PRO  11           HB2      PRO  11   9.354  -1.381  -1.381
   68   2HB   PRO  11           HB1      PRO  11   9.257  -3.117  -3.117
   69   1HG   PRO  11           HG2      PRO  11   7.795  -1.527  -1.527
   70   2HG   PRO  11           HG1      PRO  11   8.215  -3.246  -3.246
   71   1HD   PRO  11           HD2      PRO  11   5.670  -2.161  -2.161
   72   2HD   PRO  11           HD1      PRO  11   6.190  -3.831  -3.831
   73    H    GLY  12           HN       GLY  12   5.557  -0.605  -0.605
   74   1HA   GLY  12           HA2      GLY  12   6.884   2.024   2.024
   75   2HA   GLY  12           HA1      GLY  12   5.415   1.797   1.797
   76    H    LEU  13           HN       LEU  13   5.602   3.543   3.543
   77    HA   LEU  13           HA       LEU  13   4.010   4.086   4.086
   78   1HB   LEU  13           HB2      LEU  13   2.133   2.880   2.880
   79   2HB   LEU  13           HB1      LEU  13   2.770   2.024   2.024
   80    HG   LEU  13           HG       LEU  13   3.835   0.772   0.772
   81   1HD1  LEU  13          HD11      LEU  13   0.892   1.396   1.396
   82   2HD1  LEU  13          HD13      LEU  13   1.600   0.027   0.027
   83   3HD1  LEU  13          HD12      LEU  13   2.093   1.672   1.672
   84   1HD2  LEU  13          HD23      LEU  13   2.377   0.119   0.119
   85   2HD2  LEU  13          HD22      LEU  13   3.470  -0.895  -0.895
   86   3HD2  LEU  13          HD21      LEU  13   1.760  -0.805  -0.805
   87    H    ASP  14           HN       ASP  14   6.500   1.891   1.891
   88    HA   ASP  14           HA       ASP  14   6.422   1.141   1.141
   89   1HB   ASP  14           HB2      ASP  14   8.970   1.755   1.755
   90   2HB   ASP  14           HB1      ASP  14   8.655   0.485   0.485
   91    H    GLY  15           HN       GLY  15   7.063   4.001   4.001
   92   1HA   GLY  15           HA2      GLY  15   7.343   6.207   6.207
   93   2HA   GLY  15           HA1      GLY  15   7.318   5.590   5.590
   94    H    GLY  16           HN       GLY  16   9.120   6.163   6.163
   95   1HA   GLY  16           HA2      GLY  16  11.407   6.393   6.393
   96   2HA   GLY  16           HA1      GLY  16  11.687   5.186   5.186
   97    H    GLU  17           HN       GLU  17  11.165   6.273   6.273
   98    HA   GLU  17           HA       GLU  17  12.595   8.899   8.899
   99   1HB   GLU  17           HB2      GLU  17  13.036   6.472   6.472
  100   2HB   GLU  17           HB1      GLU  17  13.524   8.058   8.058
  101   1HG   GLU  17           HG2      GLU  17  15.467   7.414   7.414
  102   2HG   GLU  17           HG1      GLU  17  14.615   8.191   8.191
  103    H    CYS  18           HN       CYS  18  11.923  10.405  10.405
  104    HA   CYS  18           HA       CYS  18   9.319   9.968   9.968
  105   1HB   CYS  18           HB2      CYS  18  10.930  12.383  12.383
  106   2HB   CYS  18           HB1      CYS  18   9.891  12.486  12.486
  107    HG   CYS  18           HG       CYS  18   8.778  12.938  12.938
  108    H    PHE  19           HN       PHE  19  12.652  10.063  10.063
  109    HA   PHE  19           HA       PHE  19  12.042  10.681  10.681
  110   1HB   PHE  19           HB2      PHE  19  14.631  10.270  10.270
  111   2HB   PHE  19           HB1      PHE  19  14.566  10.427  10.427
  112    HD1  PHE  19           HD1      PHE  19  12.833  12.040  12.040
  113    HD2  PHE  19           HD2      PHE  19  15.053  12.607  12.607
  114    HE1  PHE  19           HE1      PHE  19  12.590  14.474  14.474
  115    HE2  PHE  19           HE2      PHE  19  14.814  15.068  15.068
  116    HZ   PHE  19           HZ       PHE  19  13.572  15.987  15.987
  117    H    GLN  20           HN       GLN  20  11.492   8.039   8.039
  118    HA   GLN  20           HA       GLN  20  12.787   6.202   6.202
  119   1HB   GLN  20           HB2      GLN  20  12.229   4.416   4.416
  120   2HB   GLN  20           HB1      GLN  20  12.761   5.721   5.721
  121   1HG   GLN  20           HG2      GLN  20  10.490   6.321   6.321
  122   2HG   GLN  20           HG1      GLN  20   9.855   5.231   5.231
  123   1HE2  GLN  20          HE22      GLN  20  10.577   3.787   3.787
  124   2HE2  GLN  20          HE21      GLN  20  10.564   5.446   5.446
  125    HA   PRO  21           HA       PRO  21   9.049   6.012   6.012
  126   1HB   PRO  21           HB2      PRO  21   9.140   3.410   3.410
  127   2HB   PRO  21           HB1      PRO  21  10.126   4.720   4.720
  128   1HG   PRO  21           HG2      PRO  21  10.942   2.506   2.506
  129   2HG   PRO  21           HG1      PRO  21  11.903   3.374   3.374
  130   1HD   PRO  21           HD2      PRO  21  12.007   3.836   3.836
  131   2HD   PRO  21           HD1      PRO  21  12.580   4.967   4.967
  132    H    SER  22           HN       SER  22   6.996   5.882   5.882
  133    HA   SER  22           HA       SER  22   6.595   3.695   3.695
  134   1HB   SER  22           HB2      SER  22   6.079   6.401   6.401
  135   2HB   SER  22           HB1      SER  22   4.507   5.696   5.696
  136    HG   SER  22           HG       SER  22   5.647   5.839   5.839
  137    H    LYS  23           HN       LYS  23   5.735   1.934   1.934
  138    HA   LYS  23           HA       LYS  23   3.260   2.284   2.284
  139   1HB   LYS  23           HB2      LYS  23   5.460   0.606   0.606
  140   2HB   LYS  23           HB1      LYS  23   4.058   1.306   1.306
  141   1HG   LYS  23           HG2      LYS  23   5.048   3.584   3.584
  142   2HG   LYS  23           HG1      LYS  23   6.506   2.777   2.777
  143   1HD   LYS  23           HD2      LYS  23   6.677   1.625   1.625
  144   2HD   LYS  23           HD1      LYS  23   5.274   2.538   2.538
  145   1HE   LYS  23           HE2      LYS  23   6.909   4.514   4.514
  146   2HE   LYS  23           HE1      LYS  23   8.063   3.402   3.402
  147   1HZ   LYS  23           HZ2      LYS  23   5.928   3.639   3.639
  148   2HZ   LYS  23           HZ1      LYS  23   6.320   5.218   5.218
  149   3HZ   LYS  23           HZ3      LYS  23   7.509   4.228   4.228
  150    H    PHE  24           HN       PHE  24   1.907   0.573   0.573
  151    HA   PHE  24           HA       PHE  24   3.051  -1.976  -1.976
  152   1HB   PHE  24           HB2      PHE  24   0.618  -1.581  -1.581
  153   2HB   PHE  24           HB1      PHE  24   2.240  -1.782  -1.782
  154    HD1  PHE  24           HD2      PHE  24   3.763   0.385   0.385
  155    HD2  PHE  24           HD1      PHE  24  -0.517   0.356   0.356
  156    HE1  PHE  24           HE2      PHE  24   3.807   2.758   2.758
  157    HE2  PHE  24           HE1      PHE  24  -0.473   2.739   2.739
  158    HZ   PHE  24           HZ       PHE  24   1.699   3.920   3.920
  159    H    LYS  25           HN       LYS  25   1.530  -3.783  -3.783
  160    HA   LYS  25           HA       LYS  25  -0.506  -3.244  -3.244
  161   1HB   LYS  25           HB2      LYS  25   1.122  -5.747  -5.747
  162   2HB   LYS  25           HB1      LYS  25  -0.136  -5.627  -5.627
  163   1HG   LYS  25           HG2      LYS  25   1.406  -4.836  -4.836
  164   2HG   LYS  25           HG1      LYS  25   1.565  -3.408  -3.408
  165   1HD   LYS  25           HD2      LYS  25   3.459  -4.203  -4.203
  166   2HD   LYS  25           HD1      LYS  25   2.993  -5.891  -5.891
  167   1HE   LYS  25           HE2      LYS  25   4.513  -5.912  -5.912
  168   2HE   LYS  25           HE1      LYS  25   3.286  -5.045  -5.045
  169   1HZ   LYS  25           HZ1      LYS  25   4.770  -3.310  -3.310
  170   2HZ   LYS  25           HZ3      LYS  25   5.784  -4.130  -4.130
  171   3HZ   LYS  25           HZ2      LYS  25   4.490  -3.197  -3.197
  172    H    ILE  26           HN       ILE  26  -2.584  -4.115  -4.115
  173    HA   ILE  26           HA       ILE  26  -2.991  -5.283  -5.283
  174    HB   ILE  26           HB       ILE  26  -5.134  -3.903  -3.903
  175   1HG1  ILE  26          HG12      ILE  26  -2.935  -2.656  -2.656
  176   2HG1  ILE  26          HG11      ILE  26  -3.326  -2.308  -2.308
  177   1HG2  ILE  26          HG21      ILE  26  -4.718  -4.935  -4.935
  178   2HG2  ILE  26          HG23      ILE  26  -5.358  -3.294  -3.294
  179   3HG2  ILE  26          HG22      ILE  26  -6.222  -4.588  -4.588
  180   1HD1  ILE  26          HD13      ILE  26  -5.704  -1.920  -1.920
  181   2HD1  ILE  26          HD12      ILE  26  -4.405  -1.097  -1.097
  182   3HD1  ILE  26          HD11      ILE  26  -4.734  -0.700  -0.700
  183    H    HIS  27           HN       HIS  27  -4.632  -6.894  -6.894
  184    HA   HIS  27           HA       HIS  27  -5.611  -8.135  -8.135
  185   1HB   HIS  27           HB2      HIS  27  -4.374  -9.942  -9.942
  186   2HB   HIS  27           HB1      HIS  27  -4.604 -10.207 -10.207
  187    HD1  HIS  27           HD1      HIS  27  -2.557  -7.940  -7.940
  188    HD2  HIS  27           HD2      HIS  27  -2.322  -9.721  -9.721
  189    HE1  HIS  27           HE1      HIS  27  -0.260  -7.396  -7.396
  190    H    ALA  28           HN       ALA  28  -7.751  -8.298  -8.298
  191    HA   ALA  28           HA       ALA  28  -8.825  -8.662  -8.662
  192   1HB   ALA  28           HB1      ALA  28  -9.931  -7.956  -7.956
  193   2HB   ALA  28           HB3      ALA  28 -11.024  -8.688  -8.688
  194   3HB   ALA  28           HB2      ALA  28 -10.196  -7.180  -7.180
  195    H    VAL  29           HN       VAL  29  -9.926 -10.569 -10.569
  196    HA   VAL  29           HA       VAL  29 -10.016 -12.804 -12.804
  197    HB   VAL  29           HB       VAL  29  -8.838 -12.775 -12.775
  198   1HG1  VAL  29          HG12      VAL  29 -10.291 -15.118 -15.118
  199   2HG1  VAL  29          HG11      VAL  29  -9.131 -15.295 -15.295
  200   3HG1  VAL  29          HG13      VAL  29 -10.625 -14.391 -14.391
  201   1HG2  VAL  29          HG21      VAL  29  -7.796 -12.989 -12.989
  202   2HG2  VAL  29          HG23      VAL  29  -7.045 -13.712 -13.712
  203   3HG2  VAL  29          HG22      VAL  29  -8.061 -14.693 -14.693
  204    H    ASP  30           HN       ASP  30 -12.025 -13.483 -13.483
  205    HA   ASP  30           HA       ASP  30 -14.030 -12.787 -12.787
  206   1HB   ASP  30           HB2      ASP  30 -15.532 -12.510 -12.510
  207   2HB   ASP  30           HB1      ASP  30 -14.061 -12.251 -12.251
  208    HA   PRO  31           HA       PRO  31 -14.872 -16.992 -16.992
  209   1HB   PRO  31           HB2      PRO  31 -17.577 -17.311 -17.311
  210   2HB   PRO  31           HB1      PRO  31 -16.866 -16.420 -16.420
  211   1HG   PRO  31           HG2      PRO  31 -18.244 -15.364 -15.364
  212   2HG   PRO  31           HG1      PRO  31 -18.056 -14.623 -14.623
  213   1HD   PRO  31           HD2      PRO  31 -16.564 -13.991 -13.991
  214   2HD   PRO  31           HD1      PRO  31 -16.198 -13.463 -13.463
  215    H    ASP  32           HN       ASP  32 -14.481 -16.328 -16.328
  216    HA   ASP  32           HA       ASP  32 -15.619 -18.952 -18.952
  217   1HB   ASP  32           HB2      ASP  32 -15.060 -16.443 -16.443
  218   2HB   ASP  32           HB1      ASP  32 -15.618 -17.974 -17.974
  219    H    GLY  33           HN       GLY  33 -12.867 -17.778 -17.778
  220   1HA   GLY  33           HA2      GLY  33 -10.621 -18.440 -18.440
  221   2HA   GLY  33           HA1      GLY  33 -11.190 -19.650 -19.650
  222    H    VAL  34           HN       VAL  34 -11.845 -16.210 -16.210
  223    HA   VAL  34           HA       VAL  34 -10.029 -15.800 -15.800
  224    HB   VAL  34           HB       VAL  34 -12.852 -14.884 -14.884
  225   1HG1  VAL  34          HG13      VAL  34 -10.489 -15.067 -15.067
  226   2HG1  VAL  34          HG12      VAL  34 -11.613 -16.236 -16.236
  227   3HG1  VAL  34          HG11      VAL  34 -12.080 -14.542 -14.542
  228   1HG2  VAL  34          HG23      VAL  34 -11.961 -17.772 -17.772
  229   2HG2  VAL  34          HG22      VAL  34 -13.383 -17.107 -17.107
  230   3HG2  VAL  34          HG21      VAL  34 -13.312 -17.165 -17.165
  231    H    HIS  35           HN       HIS  35 -10.958 -13.337 -13.337
  232    HA   HIS  35           HA       HIS  35 -10.565 -11.727 -11.727
  233   1HB   HIS  35           HB2      HIS  35 -10.117 -11.183 -11.183
  234   2HB   HIS  35           HB1      HIS  35 -10.163  -9.874  -9.874
  235    HD1  HIS  35           HD1      HIS  35  -8.239 -13.050 -13.050
  236    HD2  HIS  35           HD2      HIS  35  -7.874  -9.641  -9.641
  237    HE1  HIS  35           HE1      HIS  35  -5.891 -13.090 -13.090
  238    H    ARG  36           HN       ARG  36 -13.052 -12.645 -12.645
  239    HA   ARG  36           HA       ARG  36 -15.318 -12.076 -12.076
  240   1HB   ARG  36           HB2      ARG  36 -13.796  -9.632  -9.632
  241   2HB   ARG  36           HB1      ARG  36 -15.332  -9.311  -9.311
  242   1HG   ARG  36           HG2      ARG  36 -16.289 -11.003 -11.003
  243   2HG   ARG  36           HG1      ARG  36 -14.833 -10.583 -10.583
  244   1HD   ARG  36           HD2      ARG  36 -16.042  -8.815  -8.815
  245   2HD   ARG  36           HD1      ARG  36 -15.729  -8.112  -8.112
  246    HE   ARG  36           HE       ARG  36 -18.059  -9.830  -9.830
  247   1HH1  ARG  36          HH11      ARG  36 -17.203  -7.057  -7.057
  248   2HH1  ARG  36          HH12      ARG  36 -18.571  -6.122  -6.122
  249   1HH2  ARG  36          HH21      ARG  36 -19.688  -8.486  -8.486
  250   2HH2  ARG  36          HH22      ARG  36 -19.979  -6.931  -6.931
  251    H    THR  37           HN       THR  37 -14.779 -13.090 -13.090
  252    HA   THR  37           HA       THR  37 -15.149 -12.983 -12.983
  253    HB   THR  37           HB       THR  37 -17.138 -10.815 -10.815
  254    HG1  THR  37           HG1      THR  37 -18.268 -13.201 -13.201
  255   1HG2  THR  37          HG21      THR  37 -16.913 -12.928 -12.928
  256   2HG2  THR  37          HG23      THR  37 -18.418 -12.072 -12.072
  257   3HG2  THR  37          HG22      THR  37 -16.995 -11.178 -11.178
  258    H    ASP  38           HN       ASP  38 -13.143 -12.027 -12.027
  259    HA   ASP  38           HA       ASP  38 -12.240  -9.438  -9.438
  260   1HB   ASP  38           HB2      ASP  38 -11.468 -11.577 -11.577
  261   2HB   ASP  38           HB1      ASP  38 -11.855 -10.339 -10.339
  262    H    GLY  39           HN       GLY  39 -12.060  -7.807  -7.807
  263   1HA   GLY  39           HA2      GLY  39 -13.267  -6.090  -6.090
  264   2HA   GLY  39           HA1      GLY  39 -14.106  -7.428  -7.428
  265    H    GLY  40           HN       GLY  40 -14.104  -6.131  -6.131
  266   1HA   GLY  40           HA2      GLY  40 -16.514  -4.891  -4.891
  267   2HA   GLY  40           HA1      GLY  40 -17.001  -6.585  -6.585
  268    H    ASP  41           HN       ASP  41 -14.487  -4.616  -4.616
  269    HA   ASP  41           HA       ASP  41 -15.284  -6.049  -6.049
  270   1HB   ASP  41           HB2      ASP  41 -12.530  -5.337  -5.337
  271   2HB   ASP  41           HB1      ASP  41 -12.820  -5.618  -5.618
  272    H    GLY  42           HN       GLY  42 -15.977  -4.666  -4.666
  273   1HA   GLY  42           HA2      GLY  42 -15.953  -1.805  -1.805
  274   2HA   GLY  42           HA1      GLY  42 -16.451  -2.620  -2.620
  275    H    PHE  43           HN       PHE  43 -13.458  -2.089  -2.089
  276    HA   PHE  43           HA       PHE  43 -11.943  -1.985  -1.985
  277   1HB   PHE  43           HB2      PHE  43 -11.428  -2.991  -2.991
  278   2HB   PHE  43           HB1      PHE  43 -10.306  -1.661  -1.661
  279    HD1  PHE  43           HD1      PHE  43  -9.814  -1.806  -1.806
  280    HD2  PHE  43           HD2      PHE  43 -10.215  -4.943  -4.943
  281    HE1  PHE  43           HE1      PHE  43  -8.392  -3.294  -3.294
  282    HE2  PHE  43           HE2      PHE  43  -8.784  -6.415  -6.415
  283    HZ   PHE  43           HZ       PHE  43  -7.877  -5.593  -5.593
  284    H    VAL  44           HN       VAL  44 -11.553  -0.022  -0.022
  285    HA   VAL  44           HA       VAL  44 -10.982   2.234   2.234
  286    HB   VAL  44           HB       VAL  44 -12.991   3.111   3.111
  287   1HG1  VAL  44          HG11      VAL  44 -12.836   0.986   0.986
  288   2HG1  VAL  44          HG13      VAL  44 -13.605   2.445   2.445
  289   3HG1  VAL  44          HG12      VAL  44 -14.239   1.653   1.653
  290   1HG2  VAL  44          HG23      VAL  44 -11.285   4.570   4.570
  291   2HG2  VAL  44          HG22      VAL  44 -12.792   4.552   4.552
  292   3HG2  VAL  44          HG21      VAL  44 -11.408   3.614   3.614
  293    H    VAL  45           HN       VAL  45  -8.894   2.714   2.714
  294    HA   VAL  45           HA       VAL  45  -7.858   2.548   2.548
  295    HB   VAL  45           HB       VAL  45  -6.121   2.315   2.315
  296   1HG1  VAL  45          HG13      VAL  45  -5.957   1.552   1.552
  297   2HG1  VAL  45          HG12      VAL  45  -4.884   0.818   0.818
  298   3HG1  VAL  45          HG11      VAL  45  -4.855   2.561   2.561
  299   1HG2  VAL  45          HG22      VAL  45  -8.194   0.481   0.481
  300   2HG2  VAL  45          HG21      VAL  45  -7.010   0.339   0.339
  301   3HG2  VAL  45          HG23      VAL  45  -6.632  -0.269  -0.269
  302    H    THR  46           HN       THR  46  -6.344   4.204   4.204
  303    HA   THR  46           HA       THR  46  -5.759   6.336   6.336
  304    HB   THR  46           HB       THR  46  -6.977   7.825   7.825
  305    HG1  THR  46           HG1      THR  46  -9.163   6.902   6.902
  306   1HG2  THR  46          HG21      THR  46  -7.274   7.300   7.300
  307   2HG2  THR  46          HG23      THR  46  -8.763   7.841   7.841
  308   3HG2  THR  46          HG22      THR  46  -7.307   8.831   8.831
  309    H    ILE  47           HN       ILE  47  -3.909   7.269   7.269
  310    HA   ILE  47           HA       ILE  47  -2.986   7.117   7.117
  311    HB   ILE  47           HB       ILE  47  -1.507   6.628   6.628
  312   1HG1  ILE  47          HG12      ILE  47  -2.083   5.201   5.201
  313   2HG1  ILE  47          HG11      ILE  47  -1.610   4.558   4.558
  314   1HG2  ILE  47          HG23      ILE  47  -0.264   7.680   7.680
  315   2HG2  ILE  47          HG22      ILE  47   0.638   7.052   7.052
  316   3HG2  ILE  47          HG21      ILE  47  -0.314   8.518   8.518
  317   1HD1  ILE  47          HD12      ILE  47   0.747   5.451   5.451
  318   2HD1  ILE  47          HD11      ILE  47   0.185   5.619   5.619
  319   3HD1  ILE  47          HD13      ILE  47   0.221   4.028   4.028
  320    H    GLU  48           HN       GLU  48  -1.653   8.935   8.935
  321    HA   GLU  48           HA       GLU  48  -1.142  11.081  11.081
  322   1HB   GLU  48           HB2      GLU  48  -2.788  12.655  12.655
  323   2HB   GLU  48           HB1      GLU  48  -3.271  11.921  11.921
  324   1HG   GLU  48           HG2      GLU  48  -4.328  10.074  10.074
  325   2HG   GLU  48           HG1      GLU  48  -3.695  10.618  10.618
  326    H    GLY  49           HN       GLY  49  -0.136  12.879  12.879
  327   1HA   GLY  49           HA2      GLY  49   0.427  12.950  12.950
  328   2HA   GLY  49           HA1      GLY  49   1.809  12.448  12.448
  329    HA   PRO  50           HA       PRO  50   1.627  17.080  17.080
  330   1HB   PRO  50           HB2      PRO  50   4.187  17.453  17.453
  331   2HB   PRO  50           HB1      PRO  50   2.769  17.332  17.332
  332   1HG   PRO  50           HG2      PRO  50   4.897  15.309  15.309
  333   2HG   PRO  50           HG1      PRO  50   3.897  15.530  15.530
  334   1HD   PRO  50           HD2      PRO  50   3.497  13.562  13.562
  335   2HD   PRO  50           HD1      PRO  50   2.310  14.048  14.048
  336    H    ALA  51           HN       ALA  51   1.682  16.225  16.225
  337    HA   ALA  51           HA       ALA  51   4.154  17.202  17.202
  338   1HB   ALA  51           HB2      ALA  51   3.967  14.483  14.483
  339   2HB   ALA  51           HB1      ALA  51   3.410  14.609  14.609
  340   3HB   ALA  51           HB3      ALA  51   5.003  15.220  15.220
  341    HA   PRO  52           HA       PRO  52   1.425  18.152  18.152
  342   1HB   PRO  52           HB2      PRO  52   2.844  17.446  17.446
  343   2HB   PRO  52           HB1      PRO  52   3.225  18.860  18.860
  344   1HG   PRO  52           HG2      PRO  52   4.650  16.246  16.246
  345   2HG   PRO  52           HG1      PRO  52   5.279  17.839  17.839
  346   1HD   PRO  52           HD2      PRO  52   4.627  15.752  15.752
  347   2HD   PRO  52           HD1      PRO  52   4.936  17.446  17.446
  348    H    VAL  53           HN       VAL  53   2.957  15.036  15.036
  349    HA   VAL  53           HA       VAL  53   0.397  14.109  14.109
  350    HB   VAL  53           HB       VAL  53   3.081  12.705  12.705
  351   1HG1  VAL  53          HG11      VAL  53   0.483  11.781  11.781
  352   2HG1  VAL  53          HG13      VAL  53   1.454  11.860  11.860
  353   3HG1  VAL  53          HG12      VAL  53   2.013  10.908  10.908
  354   1HG2  VAL  53          HG23      VAL  53   2.334  14.923  14.923
  355   2HG2  VAL  53          HG22      VAL  53   3.759  13.903  13.903
  356   3HG2  VAL  53          HG21      VAL  53   2.271  13.532  13.532
  357    H    ASP  54           HN       ASP  54  -0.609  14.163  14.163
  358    HA   ASP  54           HA       ASP  54   0.367  12.040  12.040
  359   1HB   ASP  54           HB2      ASP  54  -1.827  14.103  14.103
  360   2HB   ASP  54           HB1      ASP  54  -1.528  12.854  12.854
  361    HA   PRO  55           HA       PRO  55  -3.908  10.223  10.223
  362   1HB   PRO  55           HB2      PRO  55  -5.340  11.391  11.391
  363   2HB   PRO  55           HB1      PRO  55  -5.481  11.878  11.878
  364   1HG   PRO  55           HG2      PRO  55  -4.132  13.291  13.291
  365   2HG   PRO  55           HG1      PRO  55  -4.815  13.955  13.955
  366   1HD   PRO  55           HD2      PRO  55  -2.063  13.484  13.484
  367   2HD   PRO  55           HD1      PRO  55  -2.788  13.894  13.894
  368    H    VAL  56           HN       VAL  56  -2.527   8.542   8.542
  369    HA   VAL  56           HA       VAL  56  -2.591   8.545   8.545
  370    HB   VAL  56           HB       VAL  56  -0.369   7.432   7.432
  371   1HG1  VAL  56          HG13      VAL  56  -1.051   7.562   7.562
  372   2HG1  VAL  56          HG12      VAL  56   0.576   8.148   8.148
  373   3HG1  VAL  56          HG11      VAL  56   0.106   6.520   6.520
  374   1HG2  VAL  56          HG22      VAL  56  -0.643  10.166  10.166
  375   2HG2  VAL  56          HG21      VAL  56  -0.394   9.824   9.824
  376   3HG2  VAL  56          HG23      VAL  56   0.895   9.501   9.501
  377    H    MET  57           HN       MET  57  -4.377   7.041   7.041
  378    HA   MET  57           HA       MET  57  -3.487   4.314   4.314
  379   1HB   MET  57           HB2      MET  57  -5.472   3.782   3.782
  380   2HB   MET  57           HB1      MET  57  -4.922   5.325   5.325
  381   1HG   MET  57           HG2      MET  57  -7.022   6.061   6.061
  382   2HG   MET  57           HG1      MET  57  -6.516   6.089   6.089
  383   1HE   MET  57           HE2      MET  57  -9.018   6.259   6.259
  384   2HE   MET  57           HE1      MET  57  -9.830   5.042   5.042
  385   3HE   MET  57           HE3      MET  57  -9.978   5.004   5.004
  386    H    VAL  58           HN       VAL  58  -4.119   2.758   2.758
  387    HA   VAL  58           HA       VAL  58  -6.145   3.527   3.527
  388    HB   VAL  58           HB       VAL  58  -3.885   1.957   1.957
  389   1HG1  VAL  58          HG13      VAL  58  -5.555   4.321   4.321
  390   2HG1  VAL  58          HG12      VAL  58  -4.174   3.768   3.768
  391   3HG1  VAL  58          HG11      VAL  58  -5.543   2.692   2.692
  392   1HG2  VAL  58          HG22      VAL  58  -3.494   4.646   4.646
  393   2HG2  VAL  58          HG21      VAL  58  -2.347   3.318   3.318
  394   3HG2  VAL  58          HG23      VAL  58  -2.721   4.355   4.355
  395    H    ASP  59           HN       ASP  59  -7.071   1.684   1.684
  396    HA   ASP  59           HA       ASP  59  -6.902  -0.840  -0.840
  397   1HB   ASP  59           HB2      ASP  59  -9.131  -0.012  -0.012
  398   2HB   ASP  59           HB1      ASP  59  -9.138   0.439   0.439
  399    H    ASN  60           HN       ASN  60  -6.243  -2.675  -2.675
  400    HA   ASN  60           HA       ASN  60  -5.443  -2.364  -2.364
  401   1HB   ASN  60           HB2      ASN  60  -5.098  -4.880  -4.880
  402   2HB   ASN  60           HB1      ASN  60  -4.094  -4.266  -4.266
  403   1HD2  ASN  60          HD22      ASN  60  -2.417  -1.857  -1.857
  404   2HD2  ASN  60          HD21      ASN  60  -2.983  -2.063  -2.063
  405    H    GLY  61           HN       GLY  61  -7.833  -4.212  -4.212
  406   1HA   GLY  61           HA2      GLY  61  -9.906  -4.882  -4.882
  407   2HA   GLY  61           HA1      GLY  61  -9.052  -4.936  -4.936
  408    H    ASP  62           HN       ASP  62  -6.860  -6.338  -6.338
  409    HA   ASP  62           HA       ASP  62  -7.936  -9.052  -9.052
  410   1HB   ASP  62           HB2      ASP  62  -5.556  -9.772  -9.772
  411   2HB   ASP  62           HB1      ASP  62  -5.763  -8.597  -8.597
  412    H    GLY  63           HN       GLY  63  -8.953  -7.660  -7.660
  413   1HA   GLY  63           HA2      GLY  63  -9.465  -8.191  -8.191
  414   2HA   GLY  63           HA1      GLY  63  -8.468  -9.633  -9.633
  415    H    THR  64           HN       THR  64  -6.543  -7.114  -7.114
  416    HA   THR  64           HA       THR  64  -5.567  -6.673  -6.673
  417    HB   THR  64           HB       THR  64  -3.325  -6.937  -6.937
  418    HG1  THR  64           HG1      THR  64  -3.176  -5.874  -5.874
  419   1HG2  THR  64          HG21      THR  64  -5.104  -8.999  -8.999
  420   2HG2  THR  64          HG23      THR  64  -4.317  -9.022  -9.022
  421   3HG2  THR  64          HG22      THR  64  -3.352  -9.180  -9.180
  422    H    TYR  65           HN       TYR  65  -4.703  -4.596  -4.596
  423    HA   TYR  65           HA       TYR  65  -5.072  -2.589  -2.589
  424   1HB   TYR  65           HB2      TYR  65  -5.811  -2.299  -2.299
  425   2HB   TYR  65           HB1      TYR  65  -5.947  -1.027  -1.027
  426    HD1  TYR  65           HD1      TYR  65  -6.880  -4.641  -4.641
  427    HD2  TYR  65           HD2      TYR  65  -8.015  -0.770  -0.770
  428    HE1  TYR  65           HE1      TYR  65  -9.019  -5.573  -5.573
  429    HE2  TYR  65           HE2      TYR  65 -10.168  -1.701  -1.701
  430    HH   TYR  65           HH       TYR  65 -11.639  -3.618  -3.618
  431    H    ASP  66           HN       ASP  66  -3.666  -0.697  -0.697
  432    HA   ASP  66           HA       ASP  66  -1.328  -1.181  -1.181
  433   1HB   ASP  66           HB2      ASP  66  -1.092  -0.034  -0.034
  434   2HB   ASP  66           HB1      ASP  66   0.195  -0.649  -0.649
  435    H    VAL  67           HN       VAL  67  -0.667   0.591   0.591
  436    HA   VAL  67           HA       VAL  67  -1.732   3.231   3.231
  437    HB   VAL  67           HB       VAL  67  -2.332   3.781   3.781
  438   1HG1  VAL  67          HG12      VAL  67  -3.299   1.396   1.396
  439   2HG1  VAL  67          HG11      VAL  67  -3.083   1.034   1.034
  440   3HG1  VAL  67          HG13      VAL  67  -4.115   2.376   2.376
  441   1HG2  VAL  67          HG21      VAL  67  -0.778   1.352   1.352
  442   2HG2  VAL  67          HG23      VAL  67  -0.309   3.034   3.034
  443   3HG2  VAL  67          HG22      VAL  67  -1.726   2.380   2.380
  444    H    GLU  68           HN       GLU  68  -0.193   5.010   5.010
  445    HA   GLU  68           HA       GLU  68   2.397   4.341   4.341
  446   1HB   GLU  68           HB2      GLU  68   2.369   5.292   5.292
  447   2HB   GLU  68           HB1      GLU  68   3.744   4.707   4.707
  448   1HG   GLU  68           HG2      GLU  68   3.172   2.871   2.871
  449   2HG   GLU  68           HG1      GLU  68   2.409   2.478   2.478
  450    H    PHE  69           HN       PHE  69   3.278   6.097   6.097
  451    HA   PHE  69           HA       PHE  69   2.718   8.758   8.758
  452   1HB   PHE  69           HB2      PHE  69   2.354   9.818   9.818
  453   2HB   PHE  69           HB1      PHE  69   1.167   8.542   8.542
  454    HD1  PHE  69           HD2      PHE  69   2.232   6.104   6.104
  455    HD2  PHE  69           HD1      PHE  69   3.236   9.967   9.967
  456    HE1  PHE  69           HE2      PHE  69   3.005   5.061   5.061
  457    HE2  PHE  69           HE1      PHE  69   3.990   8.911   8.911
  458    HZ   PHE  69           HZ       PHE  69   3.854   6.444   6.444
  459    H    GLU  70           HN       GLU  70   4.485  10.332  10.332
  460    HA   GLU  70           HA       GLU  70   6.918   9.156   9.156
  461   1HB   GLU  70           HB2      GLU  70   7.161   8.438   8.438
  462   2HB   GLU  70           HB1      GLU  70   6.705  10.027  10.027
  463   1HG   GLU  70           HG2      GLU  70   9.075   9.962   9.962
  464   2HG   GLU  70           HG1      GLU  70   8.752  10.925  10.925
  465    HA   PRO  71           HA       PRO  71   6.666  13.615  13.615
  466   1HB   PRO  71           HB2      PRO  71   7.612  13.318  13.318
  467   2HB   PRO  71           HB1      PRO  71   5.910  13.103  13.103
  468   1HG   PRO  71           HG2      PRO  71   7.943  11.036  11.036
  469   2HG   PRO  71           HG1      PRO  71   6.179  10.961  10.961
  470   1HD   PRO  71           HD2      PRO  71   7.765   9.790   9.790
  471   2HD   PRO  71           HD1      PRO  71   5.995   9.940   9.940
  472    H    LYS  72           HN       LYS  72   8.439  15.087  15.087
  473    HA   LYS  72           HA       LYS  72  11.212  14.056  14.056
  474   1HB   LYS  72           HB2      LYS  72  10.683  16.817  16.817
  475   2HB   LYS  72           HB1      LYS  72  11.758  15.590  15.590
  476   1HG   LYS  72           HG2      LYS  72   9.519  14.377  14.377
  477   2HG   LYS  72           HG1      LYS  72   8.817  15.985  15.985
  478   1HD   LYS  72           HD2      LYS  72   9.449  16.166  16.166
  479   2HD   LYS  72           HD1      LYS  72  10.992  16.616  16.616
  480   1HE   LYS  72           HE2      LYS  72  12.002  14.733  14.733
  481   2HE   LYS  72           HE1      LYS  72  10.659  13.718  13.718
  482   1HZ   LYS  72           HZ2      LYS  72   9.510  14.896  14.896
  483   2HZ   LYS  72           HZ1      LYS  72  11.118  15.001  15.001
  484   3HZ   LYS  72           HZ3      LYS  72  10.440  13.487  13.487
  485    H    GLU  73           HN       GLU  73   9.650  14.751  14.751
  486    HA   GLU  73           HA       GLU  73  11.664  16.557  16.557
  487   1HB   GLU  73           HB2      GLU  73  10.005  18.118  18.118
  488   2HB   GLU  73           HB1      GLU  73   9.847  18.054  18.054
  489   1HG   GLU  73           HG2      GLU  73   8.037  16.318  16.318
  490   2HG   GLU  73           HG1      GLU  73   8.106  16.643  16.643
  491    H    ALA  74           HN       ALA  74   9.973  16.934  16.934
  492    HA   ALA  74           HA       ALA  74  10.180  14.180  14.180
  493   1HB   ALA  74           HB1      ALA  74  11.093  16.563  16.563
  494   2HB   ALA  74           HB3      ALA  74   9.531  16.414  16.414
  495   3HB   ALA  74           HB2      ALA  74  10.738  15.140  15.140
  496    H    GLY  75           HN       GLY  75   8.286  13.067  13.067
  497   1HA   GLY  75           HA2      GLY  75   5.822  14.530  14.530
  498   2HA   GLY  75           HA1      GLY  75   5.865  13.854  13.854
  499    H    ASP  76           HN       ASP  76   3.976  13.104  13.104
  500    HA   ASP  76           HA       ASP  76   4.776  10.295  10.295
  501   1HB   ASP  76           HB2      ASP  76   3.095  10.313  10.313
  502   2HB   ASP  76           HB1      ASP  76   4.045  11.785  11.785
  503    H    TYR  77           HN       TYR  77   3.132   8.702   8.702
  504    HA   TYR  77           HA       TYR  77   1.443   9.625   9.625
  505   1HB   TYR  77           HB2      TYR  77   2.383   6.809   6.809
  506   2HB   TYR  77           HB1      TYR  77   1.688   7.478   7.478
  507    HD1  TYR  77           HD1      TYR  77   3.261  10.168  10.168
  508    HD2  TYR  77           HD2      TYR  77   4.361   6.028   6.028
  509    HE1  TYR  77           HE1      TYR  77   5.503  10.769  10.769
  510    HE2  TYR  77           HE2      TYR  77   6.600   6.610   6.610
  511    HH   TYR  77           HH       TYR  77   7.858   8.281   8.281
  512    H    VAL  78           HN       VAL  78  -0.624   9.074   9.074
  513    HA   VAL  78           HA       VAL  78  -1.706   7.411   7.411
  514    HB   VAL  78           HB       VAL  78  -2.583   9.548   9.548
  515   1HG1  VAL  78          HG13      VAL  78  -2.553   9.786   9.786
  516   2HG1  VAL  78          HG12      VAL  78  -3.688  10.781  10.781
  517   3HG1  VAL  78          HG11      VAL  78  -1.955  10.915  10.915
  518   1HG2  VAL  78          HG22      VAL  78  -4.277   7.634   7.634
  519   2HG2  VAL  78          HG21      VAL  78  -4.901   9.280   9.280
  520   3HG2  VAL  78          HG23      VAL  78  -4.682   8.510   8.510
  521    H    ILE  79           HN       ILE  79  -2.703   5.635   5.635
  522    HA   ILE  79           HA       ILE  79  -3.154   5.503   5.503
  523    HB   ILE  79           HB       ILE  79  -3.300   2.937   2.937
  524   1HG1  ILE  79          HG12      ILE  79  -1.732   4.029   4.029
  525   2HG1  ILE  79          HG11      ILE  79  -0.909   2.808   2.808
  526   1HG2  ILE  79          HG23      ILE  79  -2.970   3.400   3.400
  527   2HG2  ILE  79          HG22      ILE  79  -1.356   3.998   3.998
  528   3HG2  ILE  79          HG21      ILE  79  -1.768   2.311   2.311
  529   1HD1  ILE  79          HD11      ILE  79  -0.777   5.212   5.212
  530   2HD1  ILE  79          HD13      ILE  79  -0.367   5.636   5.636
  531   3HD1  ILE  79          HD12      ILE  79   0.550   4.388   4.388
  532    H    ASN  80           HN       ASN  80  -4.859   4.307   4.307
  533    HA   ASN  80           HA       ASN  80  -7.188   3.802   3.802
  534   1HB   ASN  80           HB2      ASN  80  -7.543   5.522   5.522
  535   2HB   ASN  80           HB1      ASN  80  -8.641   5.285   5.285
  536   1HD2  ASN  80          HD22      ASN  80  -7.377   8.039   8.039
  537   2HD2  ASN  80          HD21      ASN  80  -8.652   6.947   6.947
  538    H    LEU  81           HN       LEU  81  -7.632   1.782   1.782
  539    HA   LEU  81           HA       LEU  81  -7.736   1.127   1.127
  540   1HB   LEU  81           HB2      LEU  81  -5.602   0.233   0.233
  541   2HB   LEU  81           HB1      LEU  81  -6.381  -0.485  -0.485
  542    HG   LEU  81           HG       LEU  81  -5.810  -1.941  -1.941
  543   1HD1  LEU  81          HD13      LEU  81  -7.295  -2.290  -2.290
  544   2HD1  LEU  81          HD12      LEU  81  -8.552  -2.455  -2.455
  545   3HD1  LEU  81          HD11      LEU  81  -7.142  -3.515  -3.515
  546   1HD2  LEU  81          HD22      LEU  81  -7.527  -0.188  -0.188
  547   2HD2  LEU  81          HD21      LEU  81  -7.238  -1.826  -1.826
  548   3HD2  LEU  81          HD23      LEU  81  -8.631  -1.482  -1.482
  549    H    THR  82           HN       THR  82  -9.778   0.407   0.407
  550    HA   THR  82           HA       THR  82 -11.156  -1.029  -1.029
  551    HB   THR  82           HB       THR  82 -13.226   0.285   0.285
  552    HG1  THR  82           HG1      THR  82 -11.448   1.127   1.127
  553   1HG2  THR  82          HG23      THR  82 -11.394   0.731   0.731
  554   2HG2  THR  82          HG22      THR  82 -11.428   2.279   2.279
  555   3HG2  THR  82          HG21      THR  82 -12.918   1.593   1.593
  556    H    LEU  83           HN       LEU  83 -12.351  -2.773  -2.773
  557    HA   LEU  83           HA       LEU  83 -13.144  -3.090  -3.090
  558   1HB   LEU  83           HB2      LEU  83 -10.967  -4.332  -4.332
  559   2HB   LEU  83           HB1      LEU  83 -11.853  -5.363  -5.363
  560    HG   LEU  83           HG       LEU  83 -11.577  -6.161  -6.161
  561   1HD1  LEU  83          HD11      LEU  83 -13.168  -7.015  -7.015
  562   2HD1  LEU  83          HD13      LEU  83 -14.419  -6.107  -6.107
  563   3HD1  LEU  83          HD12      LEU  83 -13.566  -7.410  -7.410
  564   1HD2  LEU  83          HD21      LEU  83 -12.359  -3.940  -3.940
  565   2HD2  LEU  83          HD23      LEU  83 -13.264  -5.327  -5.327
  566   3HD2  LEU  83          HD22      LEU  83 -13.962  -4.297  -4.297
  567    H    ASP  84           HN       ASP  84 -15.198  -2.485  -2.485
  568    HA   ASP  84           HA       ASP  84 -17.241  -4.102  -4.102
  569   1HB   ASP  84           HB2      ASP  84 -15.584  -4.901  -4.901
  570   2HB   ASP  84           HB1      ASP  84 -17.342  -4.993  -4.993
  571    H    GLY  85           HN       GLY  85 -15.484  -1.753  -1.753
  572   1HA   GLY  85           HA2      GLY  85 -16.923   0.370   0.370
  573   2HA   GLY  85           HA1      GLY  85 -18.012  -0.688  -0.688
  574    H    ASP  86           HN       ASP  86 -14.900  -1.790  -1.790
  575    HA   ASP  86           HA       ASP  86 -14.572   0.020   0.020
  576   1HB   ASP  86           HB2      ASP  86 -15.531  -2.348  -2.348
  577   2HB   ASP  86           HB1      ASP  86 -13.912  -2.927  -2.927
  578    H    ASN  87           HN       ASN  87 -12.157  -0.443  -0.443
  579    HA   ASN  87           HA       ASN  87 -10.468  -0.495  -0.495
  580   1HB   ASN  87           HB2      ASN  87  -9.491   0.637   0.637
  581   2HB   ASN  87           HB1      ASN  87  -9.070   1.102   1.102
  582   1HD2  ASN  87          HD22      ASN  87 -11.697   3.449   3.449
  583   2HD2  ASN  87          HD21      ASN  87 -10.417   2.651   2.651
  584    H    VAL  88           HN       VAL  88  -8.362  -1.531  -1.531
  585    HA   VAL  88           HA       VAL  88  -8.515  -4.043  -4.043
  586    HB   VAL  88           HB       VAL  88  -6.371  -2.606  -2.606
  587   1HG1  VAL  88          HG12      VAL  88  -5.197  -3.706  -3.706
  588   2HG1  VAL  88          HG11      VAL  88  -5.997  -5.224  -5.224
  589   3HG1  VAL  88          HG13      VAL  88  -4.848  -4.510  -4.510
  590   1HG2  VAL  88          HG22      VAL  88  -8.244  -3.902  -3.902
  591   2HG2  VAL  88          HG21      VAL  88  -6.639  -4.514  -4.514
  592   3HG2  VAL  88          HG23      VAL  88  -7.628  -5.347  -5.347
  593    H    ASN  89           HN       ASN  89  -6.656  -4.739  -4.739
  594    HA   ASN  89           HA       ASN  89  -6.798  -2.878  -2.878
  595   1HB   ASN  89           HB2      ASN  89  -5.761  -4.658  -4.658
  596   2HB   ASN  89           HB1      ASN  89  -7.032  -5.343  -5.343
  597   1HD2  ASN  89          HD22      ASN  89  -3.891  -7.395  -7.395
  598   2HD2  ASN  89          HD21      ASN  89  -4.825  -6.931  -6.931
  599    H    GLY  90           HN       GLY  90  -5.041  -2.231  -2.231
  600   1HA   GLY  90           HA2      GLY  90  -2.720  -1.391  -1.391
  601   2HA   GLY  90           HA1      GLY  90  -2.369  -2.351  -2.351
  602    H    PHE  91           HN       PHE  91  -5.116  -0.369  -0.369
  603    HA   PHE  91           HA       PHE  91  -3.526   1.492   1.492
  604   1HB   PHE  91           HB2      PHE  91  -6.129   0.173   0.173
  605   2HB   PHE  91           HB1      PHE  91  -6.046   1.850   1.850
  606    HD1  PHE  91           HD2      PHE  91  -4.610  -1.516  -1.516
  607    HD2  PHE  91           HD1      PHE  91  -4.584   2.498   2.498
  608    HE1  PHE  91           HE2      PHE  91  -3.245  -2.228  -2.228
  609    HE2  PHE  91           HE1      PHE  91  -3.220   1.810   1.810
  610    HZ   PHE  91           HZ       PHE  91  -2.555  -0.575  -0.575
  611    HA   PRO  92           HA       PRO  92  -6.434   4.418   4.418
  612   1HB   PRO  92           HB2      PRO  92  -7.452   3.549   3.549
  613   2HB   PRO  92           HB1      PRO  92  -8.335   3.446   3.446
  614   1HG   PRO  92           HG2      PRO  92  -6.992   1.279   1.279
  615   2HG   PRO  92           HG1      PRO  92  -8.357   1.175   1.175
  616   1HD   PRO  92           HD2      PRO  92  -5.685   0.484   0.484
  617   2HD   PRO  92           HD1      PRO  92  -6.970   0.715   0.715
  618    H    LYS  93           HN       LYS  93  -3.760   2.856   2.856
  619    HA   LYS  93           HA       LYS  93  -3.043   4.164   4.164
  620   1HB   LYS  93           HB2      LYS  93  -2.555   1.689   1.689
  621   2HB   LYS  93           HB1      LYS  93  -1.388   2.247   2.247
  622   1HG   LYS  93           HG2      LYS  93   0.122   2.817   2.817
  623   2HG   LYS  93           HG1      LYS  93  -1.103   3.620   3.620
  624   1HD   LYS  93           HD2      LYS  93  -0.705   0.618   0.618
  625   2HD   LYS  93           HD1      LYS  93  -0.103   1.652   1.652
  626   1HE   LYS  93           HE2      LYS  93  -2.106   1.581   1.581
  627   2HE   LYS  93           HE1      LYS  93  -2.878   2.238   2.238
  628   1HZ   LYS  93           HZ3      LYS  93  -2.178  -0.488  -0.488
  629   2HZ   LYS  93           HZ2      LYS  93  -3.148  -0.307  -0.307
  630   3HZ   LYS  93           HZ1      LYS  93  -3.699   0.254   0.254
  631    H    THR  94           HN       THR  94  -0.883   5.219   5.219
  632    HA   THR  94           HA       THR  94  -0.421   6.595   6.595
  633    HB   THR  94           HB       THR  94   0.053   7.766   7.766
  634    HG1  THR  94           HG1      THR  94  -2.201   7.214   7.214
  635   1HG2  THR  94          HG21      THR  94  -0.149   8.952   8.952
  636   2HG2  THR  94          HG23      THR  94   0.047   9.883   9.883
  637   3HG2  THR  94          HG22      THR  94   1.322   8.784   8.784
  638    H    VAL  95           HN       VAL  95   1.570   6.357   6.357
  639    HA   VAL  95           HA       VAL  95   3.620   5.259   5.259
  640    HB   VAL  95           HB       VAL  95   3.324   5.171   5.171
  641   1HG1  VAL  95          HG11      VAL  95   5.653   5.982   5.982
  642   2HG1  VAL  95          HG13      VAL  95   5.873   4.476   4.476
  643   3HG1  VAL  95          HG12      VAL  95   5.594   4.437   4.437
  644   1HG2  VAL  95          HG22      VAL  95   2.515   3.396   3.396
  645   2HG2  VAL  95          HG21      VAL  95   3.487   2.837   2.837
  646   3HG2  VAL  95          HG23      VAL  95   4.226   3.033   3.033
  647    H    THR  96           HN       THR  96   5.796   6.314   6.314
  648    HA   THR  96           HA       THR  96   5.484   9.187   9.187
  649    HB   THR  96           HB       THR  96   7.017   8.065   8.065
  650    HG1  THR  96           HG1      THR  96   5.132   9.370   9.370
  651   1HG2  THR  96          HG22      THR  96   6.344  10.870  10.870
  652   2HG2  THR  96          HG21      THR  96   6.933  10.493  10.493
  653   3HG2  THR  96          HG23      THR  96   7.948  10.169  10.169
  654    H    VAL  97           HN       VAL  97   7.040  10.219  10.219
  655    HA   VAL  97           HA       VAL  97   9.662   8.863   8.863
  656    HB   VAL  97           HB       VAL  97   7.858  10.282  10.282
  657   1HG1  VAL  97          HG12      VAL  97  10.880  10.185  10.185
  658   2HG1  VAL  97          HG11      VAL  97   9.903  10.427  10.427
  659   3HG1  VAL  97          HG13      VAL  97   9.850  11.612  11.612
  660   1HG2  VAL  97          HG22      VAL  97   9.602   7.827   7.827
  661   2HG2  VAL  97          HG21      VAL  97   7.879   7.930   7.930
  662   3HG2  VAL  97          HG23      VAL  97   9.056   8.502   8.502
  663    H    LYS  98           HN       LYS  98  11.456  10.240  10.240
  664    HA   LYS  98           HA       LYS  98  10.896  12.759  12.759
  665   1HB   LYS  98           HB2      LYS  98  12.813  10.664  10.664
  666   2HB   LYS  98           HB1      LYS  98  13.694  12.134  12.134
  667   1HG   LYS  98           HG2      LYS  98  13.610  12.460  12.460
  668   2HG   LYS  98           HG1      LYS  98  12.006  13.093  13.093
  669   1HD   LYS  98           HD2      LYS  98  11.317  11.543  11.543
  670   2HD   LYS  98           HD1      LYS  98  11.463  10.431  10.431
  671   1HE   LYS  98           HE2      LYS  98  14.063  10.686  10.686
  672   2HE   LYS  98           HE1      LYS  98  12.984  10.492  10.492
  673   1HZ   LYS  98           HZ3      LYS  98  12.364   8.756   8.756
  674   2HZ   LYS  98           HZ2      LYS  98  13.905   8.481   8.481
  675   3HZ   LYS  98           HZ1      LYS  98  12.527   8.396   8.396
  676    HA   PRO  99           HA       PRO  99  12.380  15.461  15.461
  677   1HB   PRO  99           HB2      PRO  99  14.624  16.741  16.741
  678   2HB   PRO  99           HB1      PRO  99  12.965  17.125  17.125
  679   1HG   PRO  99           HG2      PRO  99  15.055  15.596  15.596
  680   2HG   PRO  99           HG1      PRO  99  13.717  16.573  16.573
  681   1HD   PRO  99           HD2      PRO  99  13.749  13.791  13.791
  682   2HD   PRO  99           HD1      PRO  99  12.281  14.772  14.772
  683    H    ALA 100           HN       ALA 100  12.870  13.751  13.751
  684    HA   ALA 100           HA       ALA 100  14.934  12.101  12.101
  685   1HB   ALA 100           HB3      ALA 100  13.094  13.472  13.472
  686   2HB   ALA 100           HB2      ALA 100  14.667  13.479  13.479
  687   3HB   ALA 100           HB1      ALA 100  13.932  11.952  11.952

  Start of MODEL    5
    1   1H    ALA   1           HT3      ALA   1 -18.370 -11.630 -11.630
    2   2H    ALA   1           HT2      ALA   1 -19.625 -10.787 -10.787
    3   3H    ALA   1           HT1      ALA   1 -18.923 -12.145 -12.145
    4    HA   ALA   1           HA       ALA   1 -17.693 -10.666 -10.666
    5   1HB   ALA   1           HB2      ALA   1 -19.171  -8.838  -8.838
    6   2HB   ALA   1           HB1      ALA   1 -18.032  -8.681  -8.681
    7   3HB   ALA   1           HB3      ALA   1 -17.507  -8.343  -8.343
    8    H    ASP   2           HN       ASP   2 -15.795  -8.837  -8.837
    9    HA   ASP   2           HA       ASP   2 -14.037 -10.779 -10.779
   10   1HB   ASP   2           HB2      ASP   2 -13.185 -10.529 -10.529
   11   2HB   ASP   2           HB1      ASP   2 -13.324  -8.777  -8.777
   12    HA   PRO   3           HA       PRO   3 -14.344  -6.681  -6.681
   13   1HB   PRO   3           HB2      PRO   3 -16.038  -7.449  -7.449
   14   2HB   PRO   3           HB1      PRO   3 -16.608  -6.693  -6.693
   15   1HG   PRO   3           HG2      PRO   3 -16.764  -9.558  -9.558
   16   2HG   PRO   3           HG1      PRO   3 -17.843  -8.639  -8.639
   17   1HD   PRO   3           HD2      PRO   3 -15.866 -10.446 -10.446
   18   2HD   PRO   3           HD1      PRO   3 -16.666  -9.212  -9.212
   19    H    GLU   4           HN       GLU   4 -13.451  -9.869  -9.869
   20    HA   GLU   4           HA       GLU   4 -11.886  -9.335  -9.335
   21   1HB   GLU   4           HB2      GLU   4 -14.148 -10.886 -10.886
   22   2HB   GLU   4           HB1      GLU   4 -12.867 -12.074 -12.074
   23   1HG   GLU   4           HG2      GLU   4 -11.794 -10.546 -10.546
   24   2HG   GLU   4           HG1      GLU   4 -13.510 -10.461 -10.461
   25    H    LYS   5           HN       LYS   5 -11.517  -9.890  -9.890
   26    HA   LYS   5           HA       LYS   5  -9.128 -11.602 -11.602
   27   1HB   LYS   5           HB2      LYS   5 -11.531 -12.335 -12.335
   28   2HB   LYS   5           HB1      LYS   5 -10.091 -12.363 -12.363
   29   1HG   LYS   5           HG2      LYS   5  -9.834 -14.454 -14.454
   30   2HG   LYS   5           HG1      LYS   5  -9.119 -13.567 -13.567
   31   1HD   LYS   5           HD2      LYS   5 -11.498 -13.412 -13.412
   32   2HD   LYS   5           HD1      LYS   5 -11.936 -14.633 -14.633
   33   1HE   LYS   5           HE2      LYS   5  -9.522 -15.147 -15.147
   34   2HE   LYS   5           HE1      LYS   5 -11.102 -15.313 -15.313
   35   1HZ   LYS   5           HZ3      LYS   5 -10.650 -16.549 -16.549
   36   2HZ   LYS   5           HZ2      LYS   5 -10.030 -17.313 -17.313
   37   3HZ   LYS   5           HZ1      LYS   5 -11.699 -17.021 -17.021
   38    H    SER   6           HN       SER   6  -9.526  -8.772  -8.772
   39    HA   SER   6           HA       SER   6  -8.324  -8.395  -8.395
   40   1HB   SER   6           HB2      SER   6  -9.566  -6.213  -6.213
   41   2HB   SER   6           HB1      SER   6  -9.246  -6.217  -6.217
   42    HG   SER   6           HG       SER   6 -11.363  -7.230  -7.230
   43    H    TYR   7           HN       TYR   7  -6.158  -8.179  -8.179
   44    HA   TYR   7           HA       TYR   7  -5.145  -6.543  -6.543
   45   1HB   TYR   7           HB2      TYR   7  -3.094  -8.083  -8.083
   46   2HB   TYR   7           HB1      TYR   7  -4.563  -8.778  -8.778
   47    HD1  TYR   7           HD1      TYR   7  -6.130 -10.075 -10.075
   48    HD2  TYR   7           HD2      TYR   7  -2.087  -9.052  -9.052
   49    HE1  TYR   7           HE1      TYR   7  -6.135 -11.823 -11.823
   50    HE2  TYR   7           HE2      TYR   7  -2.089 -10.802 -10.802
   51    HH   TYR   7           HH       TYR   7  -4.885 -12.957 -12.957
   52    H    ALA   8           HN       ALA   8  -3.550  -5.060  -5.060
   53    HA   ALA   8           HA       ALA   8  -2.601  -4.952  -4.952
   54   1HB   ALA   8           HB3      ALA   8  -3.163  -2.672  -2.672
   55   2HB   ALA   8           HB2      ALA   8  -2.422  -2.484  -2.484
   56   3HB   ALA   8           HB1      ALA   8  -4.082  -3.061  -3.061
   57    H    GLU   9           HN       GLU   9  -0.409  -5.288  -5.288
   58    HA   GLU   9           HA       GLU   9   1.270  -4.253  -4.253
   59   1HB   GLU   9           HB2      GLU   9   2.591  -6.427  -6.427
   60   2HB   GLU   9           HB1      GLU   9   0.986  -6.561  -6.561
   61   1HG   GLU   9           HG2      GLU   9   0.929  -8.347  -8.347
   62   2HG   GLU   9           HG1      GLU   9   0.266  -7.068  -7.068
   63    H    GLY  10           HN       GLY  10   3.242  -3.492  -3.492
   64   1HA   GLY  10           HA2      GLY  10   4.373  -4.229  -4.229
   65   2HA   GLY  10           HA1      GLY  10   3.704  -2.604  -2.604
   66    HA   PRO  11           HA       PRO  11   8.017  -2.507  -2.507
   67   1HB   PRO  11           HB2      PRO  11   9.276  -1.434  -1.434
   68   2HB   PRO  11           HB1      PRO  11   9.183  -3.176  -3.176
   69   1HG   PRO  11           HG2      PRO  11   7.678  -1.544  -1.544
   70   2HG   PRO  11           HG1      PRO  11   8.104  -3.263  -3.263
   71   1HD   PRO  11           HD2      PRO  11   5.568  -2.209  -2.209
   72   2HD   PRO  11           HD1      PRO  11   6.107  -3.878  -3.878
   73    H    GLY  12           HN       GLY  12   5.522  -0.649  -0.649
   74   1HA   GLY  12           HA2      GLY  12   6.882   1.943   1.943
   75   2HA   GLY  12           HA1      GLY  12   5.446   1.781   1.781
   76    H    LEU  13           HN       LEU  13   5.597   3.422   3.422
   77    HA   LEU  13           HA       LEU  13   3.911   3.936   3.936
   78   1HB   LEU  13           HB2      LEU  13   2.045   2.709   2.709
   79   2HB   LEU  13           HB1      LEU  13   2.743   1.844   1.844
   80    HG   LEU  13           HG       LEU  13   3.738   0.639   0.639
   81   1HD1  LEU  13          HD12      LEU  13   1.136   1.782   1.782
   82   2HD1  LEU  13          HD11      LEU  13   1.001   0.023   0.023
   83   3HD1  LEU  13          HD13      LEU  13   2.064   0.808   0.808
   84   1HD2  LEU  13          HD21      LEU  13   2.301  -0.065  -0.065
   85   2HD2  LEU  13          HD23      LEU  13   3.487  -1.002  -1.002
   86   3HD2  LEU  13          HD22      LEU  13   1.788  -1.032  -1.032
   87    H    ASP  14           HN       ASP  14   6.441   1.822   1.822
   88    HA   ASP  14           HA       ASP  14   6.262   1.063   1.063
   89   1HB   ASP  14           HB2      ASP  14   8.844   1.513   1.513
   90   2HB   ASP  14           HB1      ASP  14   8.458   0.287   0.287
   91    H    GLY  15           HN       GLY  15   6.970   3.904   3.904
   92   1HA   GLY  15           HA2      GLY  15   7.386   6.088   6.088
   93   2HA   GLY  15           HA1      GLY  15   7.391   5.433   5.433
   94    H    GLY  16           HN       GLY  16   9.225   6.039   6.039
   95   1HA   GLY  16           HA2      GLY  16  11.531   6.125   6.125
   96   2HA   GLY  16           HA1      GLY  16  11.740   4.949   4.949
   97    H    GLU  17           HN       GLU  17  11.381   6.013   6.013
   98    HA   GLU  17           HA       GLU  17  12.822   8.634   8.634
   99   1HB   GLU  17           HB2      GLU  17  13.169   6.243   6.243
  100   2HB   GLU  17           HB1      GLU  17  13.780   7.822   7.822
  101   1HG   GLU  17           HG2      GLU  17  15.276   7.893   7.893
  102   2HG   GLU  17           HG1      GLU  17  14.424   6.603   6.603
  103    H    CYS  18           HN       CYS  18  12.217  10.184  10.184
  104    HA   CYS  18           HA       CYS  18   9.601   9.827   9.827
  105   1HB   CYS  18           HB2      CYS  18  11.288  12.209  12.209
  106   2HB   CYS  18           HB1      CYS  18  10.272  12.314  12.314
  107    HG   CYS  18           HG       CYS  18   9.234  12.506  12.506
  108    H    PHE  19           HN       PHE  19  12.961   9.871   9.871
  109    HA   PHE  19           HA       PHE  19  12.331  10.426  10.426
  110   1HB   PHE  19           HB2      PHE  19  14.916  10.039  10.039
  111   2HB   PHE  19           HB1      PHE  19  14.869  10.028  10.028
  112    HD1  PHE  19           HD2      PHE  19  12.830  11.889  11.889
  113    HD2  PHE  19           HD1      PHE  19  15.688  12.158  12.158
  114    HE1  PHE  19           HE2      PHE  19  12.554  14.345  14.345
  115    HE2  PHE  19           HE1      PHE  19  15.407  14.622  14.622
  116    HZ   PHE  19           HZ       PHE  19  13.813  15.696  15.696
  117    H    GLN  20           HN       GLN  20  11.648   7.921   7.921
  118    HA   GLN  20           HA       GLN  20  12.763   5.905   5.905
  119   1HB   GLN  20           HB2      GLN  20  12.881   5.334   5.334
  120   2HB   GLN  20           HB1      GLN  20  11.139   5.568   5.568
  121   1HG   GLN  20           HG2      GLN  20  10.827   3.776   3.776
  122   2HG   GLN  20           HG1      GLN  20  12.564   3.477   3.477
  123   1HE2  GLN  20          HE22      GLN  20  11.348   1.055   1.055
  124   2HE2  GLN  20          HE21      GLN  20  11.581   1.243   1.243
  125    HA   PRO  21           HA       PRO  21   8.973   6.292   6.292
  126   1HB   PRO  21           HB2      PRO  21   8.961   3.824   3.824
  127   2HB   PRO  21           HB1      PRO  21   9.934   5.203   5.203
  128   1HG   PRO  21           HG2      PRO  21  10.797   2.773   2.773
  129   2HG   PRO  21           HG1      PRO  21  11.705   3.739   3.739
  130   1HD   PRO  21           HD2      PRO  21  12.047   3.922   3.922
  131   2HD   PRO  21           HD1      PRO  21  12.465   5.215   5.215
  132    H    SER  22           HN       SER  22   6.876   5.975   5.975
  133    HA   SER  22           HA       SER  22   6.544   3.739   3.739
  134   1HB   SER  22           HB2      SER  22   5.928   6.423   6.423
  135   2HB   SER  22           HB1      SER  22   4.385   5.647   5.647
  136    HG   SER  22           HG       SER  22   6.163   5.210   5.210
  137    H    LYS  23           HN       LYS  23   5.740   1.958   1.958
  138    HA   LYS  23           HA       LYS  23   3.242   2.285   2.285
  139   1HB   LYS  23           HB2      LYS  23   5.434   0.612   0.612
  140   2HB   LYS  23           HB1      LYS  23   4.008   1.284   1.284
  141   1HG   LYS  23           HG2      LYS  23   5.039   3.594   3.594
  142   2HG   LYS  23           HG1      LYS  23   6.534   2.711   2.711
  143   1HD   LYS  23           HD2      LYS  23   5.522   1.675   1.675
  144   2HD   LYS  23           HD1      LYS  23   5.299   3.421   3.421
  145   1HE   LYS  23           HE2      LYS  23   7.614   3.843   3.843
  146   2HE   LYS  23           HE1      LYS  23   7.907   2.190   2.190
  147   1HZ   LYS  23           HZ2      LYS  23   7.021   2.929   2.929
  148   2HZ   LYS  23           HZ1      LYS  23   8.634   2.616   2.616
  149   3HZ   LYS  23           HZ3      LYS  23   7.474   1.384   1.384
  150    H    PHE  24           HN       PHE  24   1.899   0.590   0.590
  151    HA   PHE  24           HA       PHE  24   3.039  -1.952  -1.952
  152   1HB   PHE  24           HB2      PHE  24   0.595  -1.512  -1.512
  153   2HB   PHE  24           HB1      PHE  24   2.209  -1.734  -1.734
  154    HD1  PHE  24           HD2      PHE  24   3.777   0.400   0.400
  155    HD2  PHE  24           HD1      PHE  24  -0.505   0.457   0.457
  156    HE1  PHE  24           HE2      PHE  24   3.855   2.786   2.786
  157    HE2  PHE  24           HE1      PHE  24  -0.432   2.846   2.846
  158    HZ   PHE  24           HZ       PHE  24   1.755   3.999   3.999
  159    H    LYS  25           HN       LYS  25   1.523  -3.757  -3.757
  160    HA   LYS  25           HA       LYS  25  -0.512  -3.219  -3.219
  161   1HB   LYS  25           HB2      LYS  25   0.732  -5.919  -5.919
  162   2HB   LYS  25           HB1      LYS  25  -0.030  -5.321  -5.321
  163   1HG   LYS  25           HG2      LYS  25   2.021  -3.514  -3.514
  164   2HG   LYS  25           HG1      LYS  25   2.746  -5.028  -5.028
  165   1HD   LYS  25           HD2      LYS  25   1.169  -5.289  -5.289
  166   2HD   LYS  25           HD1      LYS  25   2.567  -4.226  -4.226
  167   1HE   LYS  25           HE2      LYS  25   3.576  -6.355  -6.355
  168   2HE   LYS  25           HE1      LYS  25   2.470  -7.138  -7.138
  169   1HZ   LYS  25           HZ3      LYS  25   4.199  -5.051  -5.051
  170   2HZ   LYS  25           HZ2      LYS  25   4.949  -6.513  -6.513
  171   3HZ   LYS  25           HZ1      LYS  25   3.689  -6.507  -6.507
  172    H    ILE  26           HN       ILE  26  -2.591  -3.973  -3.973
  173    HA   ILE  26           HA       ILE  26  -2.979  -5.161  -5.161
  174    HB   ILE  26           HB       ILE  26  -5.107  -3.810  -3.810
  175   1HG1  ILE  26          HG12      ILE  26  -3.001  -2.629  -2.629
  176   2HG1  ILE  26          HG11      ILE  26  -3.457  -2.108  -2.108
  177   1HG2  ILE  26          HG23      ILE  26  -4.732  -4.483  -4.483
  178   2HG2  ILE  26          HG22      ILE  26  -6.013  -3.423  -3.423
  179   3HG2  ILE  26          HG21      ILE  26  -5.963  -5.109  -5.109
  180   1HD1  ILE  26          HD13      ILE  26  -5.835  -1.827  -1.827
  181   2HD1  ILE  26          HD12      ILE  26  -4.739  -1.517  -1.517
  182   3HD1  ILE  26          HD11      ILE  26  -4.648  -0.530  -0.530
  183    H    HIS  27           HN       HIS  27  -4.532  -6.833  -6.833
  184    HA   HIS  27           HA       HIS  27  -5.358  -8.190  -8.190
  185   1HB   HIS  27           HB2      HIS  27  -4.157  -9.727  -9.727
  186   2HB   HIS  27           HB1      HIS  27  -4.453 -10.284 -10.284
  187    HD1  HIS  27           HD1      HIS  27  -2.498  -7.413  -7.413
  188    HD2  HIS  27           HD2      HIS  27  -2.113 -10.237 -10.237
  189    HE1  HIS  27           HE1      HIS  27  -0.247  -7.014  -7.014
  190    H    ALA  28           HN       ALA  28  -7.517  -8.365  -8.365
  191    HA   ALA  28           HA       ALA  28  -8.758  -8.617  -8.617
  192   1HB   ALA  28           HB2      ALA  28  -9.476  -7.214  -7.214
  193   2HB   ALA  28           HB1      ALA  28 -10.592  -8.580  -8.580
  194   3HB   ALA  28           HB3      ALA  28 -10.495  -7.481  -7.481
  195    H    VAL  29           HN       VAL  29 -10.091 -10.427 -10.427
  196    HA   VAL  29           HA       VAL  29 -10.197 -12.610 -12.610
  197    HB   VAL  29           HB       VAL  29  -8.907 -12.692 -12.692
  198   1HG1  VAL  29          HG12      VAL  29 -10.540 -15.020 -15.020
  199   2HG1  VAL  29          HG11      VAL  29  -9.454 -15.084 -15.084
  200   3HG1  VAL  29          HG13      VAL  29 -10.917 -14.100 -14.100
  201   1HG2  VAL  29          HG22      VAL  29  -7.797 -12.949 -12.949
  202   2HG2  VAL  29          HG21      VAL  29  -7.460 -14.242 -14.242
  203   3HG2  VAL  29          HG23      VAL  29  -8.634 -14.494 -14.494
  204    H    ASP  30           HN       ASP  30 -12.242 -13.169 -13.169
  205    HA   ASP  30           HA       ASP  30 -14.216 -12.496 -12.496
  206   1HB   ASP  30           HB2      ASP  30 -15.746 -12.163 -12.163
  207   2HB   ASP  30           HB1      ASP  30 -14.268 -11.756 -11.756
  208    HA   PRO  31           HA       PRO  31 -15.235 -16.715 -16.715
  209   1HB   PRO  31           HB2      PRO  31 -17.949 -16.906 -16.906
  210   2HB   PRO  31           HB1      PRO  31 -17.207 -16.120 -16.120
  211   1HG   PRO  31           HG2      PRO  31 -18.548 -14.878 -14.878
  212   2HG   PRO  31           HG1      PRO  31 -18.315 -14.230 -14.230
  213   1HD   PRO  31           HD2      PRO  31 -16.812 -13.563 -13.563
  214   2HD   PRO  31           HD1      PRO  31 -16.429 -13.101 -13.101
  215    H    ASP  32           HN       ASP  32 -14.834 -15.855 -15.855
  216    HA   ASP  32           HA       ASP  32 -15.990 -18.415 -18.415
  217   1HB   ASP  32           HB2      ASP  32 -16.991 -16.257 -16.257
  218   2HB   ASP  32           HB1      ASP  32 -15.413 -15.946 -15.946
  219    H    GLY  33           HN       GLY  33 -13.227 -17.295 -17.295
  220   1HA   GLY  33           HA2      GLY  33 -10.997 -17.973 -17.973
  221   2HA   GLY  33           HA1      GLY  33 -11.586 -18.982 -18.982
  222    H    VAL  34           HN       VAL  34 -12.296 -15.591 -15.591
  223    HA   VAL  34           HA       VAL  34 -10.421 -14.821 -14.821
  224    HB   VAL  34           HB       VAL  34 -13.242 -13.920 -13.920
  225   1HG1  VAL  34          HG11      VAL  34 -10.823 -13.932 -13.932
  226   2HG1  VAL  34          HG13      VAL  34 -11.910 -15.026 -15.026
  227   3HG1  VAL  34          HG12      VAL  34 -12.397 -13.358 -13.358
  228   1HG2  VAL  34          HG23      VAL  34 -12.312 -16.758 -16.758
  229   2HG2  VAL  34          HG22      VAL  34 -13.675 -16.251 -16.251
  230   3HG2  VAL  34          HG21      VAL  34 -13.739 -16.040 -16.040
  231    H    HIS  35           HN       HIS  35 -10.658 -12.340 -12.340
  232    HA   HIS  35           HA       HIS  35 -10.791 -11.090 -11.090
  233   1HB   HIS  35           HB2      HIS  35 -10.229  -9.654  -9.654
  234   2HB   HIS  35           HB1      HIS  35  -9.686  -9.230  -9.230
  235    HD1  HIS  35           HD1      HIS  35  -7.408 -10.067 -10.067
  236    HD2  HIS  35           HD2      HIS  35  -8.984 -12.203 -12.203
  237    HE1  HIS  35           HE1      HIS  35  -5.592 -11.662 -11.662
  238    H    ARG  36           HN       ARG  36 -13.222 -11.916 -11.916
  239    HA   ARG  36           HA       ARG  36 -15.453 -11.253 -11.253
  240   1HB   ARG  36           HB2      ARG  36 -13.941  -8.776  -8.776
  241   2HB   ARG  36           HB1      ARG  36 -15.485  -8.510  -8.510
  242   1HG   ARG  36           HG2      ARG  36 -15.823 -10.480 -10.480
  243   2HG   ARG  36           HG1      ARG  36 -15.063  -9.050  -9.050
  244   1HD   ARG  36           HD2      ARG  36 -17.396  -8.705  -8.705
  245   2HD   ARG  36           HD1      ARG  36 -17.698  -9.206  -9.206
  246    HE   ARG  36           HE       ARG  36 -16.114  -7.063  -7.063
  247   1HH1  ARG  36          HH21      ARG  36 -17.356  -6.815  -6.815
  248   2HH1  ARG  36          HH22      ARG  36 -18.443  -5.503  -5.503
  249   1HH2  ARG  36          HH11      ARG  36 -18.104  -5.694  -5.694
  250   2HH2  ARG  36          HH12      ARG  36 -18.871  -4.871  -4.871
  251    H    THR  37           HN       THR  37 -15.057 -12.312 -12.312
  252    HA   THR  37           HA       THR  37 -15.245 -12.223 -12.223
  253    HB   THR  37           HB       THR  37 -17.016 -10.096 -10.096
  254    HG1  THR  37           HG1      THR  37 -17.312  -9.653  -9.653
  255   1HG2  THR  37          HG21      THR  37 -17.148 -12.502 -12.502
  256   2HG2  THR  37          HG23      THR  37 -17.753 -12.908 -12.908
  257   3HG2  THR  37          HG22      THR  37 -18.675 -11.826 -11.826
  258    H    ASP  38           HN       ASP  38 -13.060 -11.407 -11.407
  259    HA   ASP  38           HA       ASP  38 -12.018  -8.889  -8.889
  260   1HB   ASP  38           HB2      ASP  38 -11.259 -11.098 -11.098
  261   2HB   ASP  38           HB1      ASP  38 -11.680 -10.034 -10.034
  262    H    GLY  39           HN       GLY  39 -12.079  -6.933  -6.933
  263   1HA   GLY  39           HA2      GLY  39 -12.915  -5.427  -5.427
  264   2HA   GLY  39           HA1      GLY  39 -14.049  -6.671  -6.671
  265    H    GLY  40           HN       GLY  40 -15.172  -7.265  -7.265
  266   1HA   GLY  40           HA2      GLY  40 -16.636  -4.700  -4.700
  267   2HA   GLY  40           HA1      GLY  40 -17.374  -6.293  -6.293
  268    H    ASP  41           HN       ASP  41 -14.326  -4.886  -4.886
  269    HA   ASP  41           HA       ASP  41 -15.073  -6.011  -6.011
  270   1HB   ASP  41           HB2      ASP  41 -12.431  -4.730  -4.730
  271   2HB   ASP  41           HB1      ASP  41 -12.765  -5.871  -5.871
  272    H    GLY  42           HN       GLY  42 -16.028  -4.597  -4.597
  273   1HA   GLY  42           HA2      GLY  42 -16.067  -1.741  -1.741
  274   2HA   GLY  42           HA1      GLY  42 -16.618  -2.543  -2.543
  275    H    PHE  43           HN       PHE  43 -13.605  -1.809  -1.809
  276    HA   PHE  43           HA       PHE  43 -12.188  -1.718  -1.718
  277   1HB   PHE  43           HB2      PHE  43 -11.546  -2.930  -2.930
  278   2HB   PHE  43           HB1      PHE  43 -10.569  -1.463  -1.463
  279    HD1  PHE  43           HD2      PHE  43  -9.175  -0.918  -0.918
  280    HD2  PHE  43           HD1      PHE  43 -10.897  -4.772  -4.772
  281    HE1  PHE  43           HE2      PHE  43  -7.582  -1.958  -1.958
  282    HE2  PHE  43           HE1      PHE  43  -9.301  -5.813  -5.813
  283    HZ   PHE  43           HZ       PHE  43  -7.648  -4.405  -4.405
  284    H    VAL  44           HN       VAL  44 -11.476   0.141   0.141
  285    HA   VAL  44           HA       VAL  44 -10.977   2.434   2.434
  286    HB   VAL  44           HB       VAL  44 -13.050   3.209   3.209
  287   1HG1  VAL  44          HG13      VAL  44 -12.670   1.203   1.203
  288   2HG1  VAL  44          HG12      VAL  44 -13.377   2.679   2.679
  289   3HG1  VAL  44          HG11      VAL  44 -14.168   1.839   1.839
  290   1HG2  VAL  44          HG21      VAL  44 -11.296   4.779   4.779
  291   2HG2  VAL  44          HG23      VAL  44 -12.758   4.809   4.809
  292   3HG2  VAL  44          HG22      VAL  44 -11.331   3.942   3.942
  293    H    VAL  45           HN       VAL  45  -8.854   2.826   2.826
  294    HA   VAL  45           HA       VAL  45  -7.874   2.626   2.626
  295    HB   VAL  45           HB       VAL  45  -6.267   2.202   2.202
  296   1HG1  VAL  45          HG11      VAL  45  -5.623   1.855   1.855
  297   2HG1  VAL  45          HG13      VAL  45  -4.574   1.328   1.328
  298   3HG1  VAL  45          HG12      VAL  45  -4.917   3.043   3.043
  299   1HG2  VAL  45          HG21      VAL  45  -8.115   0.462   0.462
  300   2HG2  VAL  45          HG23      VAL  45  -6.747  -0.012  -0.012
  301   3HG2  VAL  45          HG22      VAL  45  -6.603  -0.051  -0.051
  302    H    THR  46           HN       THR  46  -6.384   4.254   4.254
  303    HA   THR  46           HA       THR  46  -5.803   6.443   6.443
  304    HB   THR  46           HB       THR  46  -7.019   7.876   7.876
  305    HG1  THR  46           HG1      THR  46  -8.632   6.756   6.756
  306   1HG2  THR  46          HG22      THR  46  -8.182   7.005   7.005
  307   2HG2  THR  46          HG21      THR  46  -8.707   8.400   8.400
  308   3HG2  THR  46          HG23      THR  46  -7.087   8.367   8.367
  309    H    ILE  47           HN       ILE  47  -3.946   7.352   7.352
  310    HA   ILE  47           HA       ILE  47  -3.037   7.155   7.155
  311    HB   ILE  47           HB       ILE  47  -1.525   6.695   6.695
  312   1HG1  ILE  47          HG12      ILE  47  -2.132   5.227   5.227
  313   2HG1  ILE  47          HG11      ILE  47  -1.702   4.606   4.606
  314   1HG2  ILE  47          HG21      ILE  47  -0.321   7.662   7.662
  315   2HG2  ILE  47          HG23      ILE  47   0.598   7.077   7.077
  316   3HG2  ILE  47          HG22      ILE  47  -0.342   8.554   8.554
  317   1HD1  ILE  47          HD11      ILE  47   0.685   5.439   5.439
  318   2HD1  ILE  47          HD13      ILE  47   0.153   5.579   5.579
  319   3HD1  ILE  47          HD12      ILE  47   0.145   4.007   4.007
  320    H    GLU  48           HN       GLU  48  -1.692   8.958   8.958
  321    HA   GLU  48           HA       GLU  48  -1.160  11.116  11.116
  322   1HB   GLU  48           HB2      GLU  48  -2.790  12.713  12.713
  323   2HB   GLU  48           HB1      GLU  48  -3.334  11.896  11.896
  324   1HG   GLU  48           HG2      GLU  48  -4.726  10.510  10.510
  325   2HG   GLU  48           HG1      GLU  48  -3.565  10.271  10.271
  326    H    GLY  49           HN       GLY  49  -0.122  12.903  12.903
  327   1HA   GLY  49           HA2      GLY  49   0.362  12.848  12.848
  328   2HA   GLY  49           HA1      GLY  49   1.768  12.396  12.396
  329    HA   PRO  50           HA       PRO  50   1.585  17.025  17.025
  330   1HB   PRO  50           HB2      PRO  50   4.081  17.342  17.342
  331   2HB   PRO  50           HB1      PRO  50   2.600  17.170  17.170
  332   1HG   PRO  50           HG2      PRO  50   4.765  15.175  15.175
  333   2HG   PRO  50           HG1      PRO  50   3.656  15.316  15.316
  334   1HD   PRO  50           HD2      PRO  50   3.421  13.469  13.469
  335   2HD   PRO  50           HD1      PRO  50   2.155  13.861  13.861
  336    H    ALA  51           HN       ALA  51   1.811  16.201  16.201
  337    HA   ALA  51           HA       ALA  51   4.291  17.348  17.348
  338   1HB   ALA  51           HB1      ALA  51   4.161  14.567  14.567
  339   2HB   ALA  51           HB3      ALA  51   3.884  14.789  14.789
  340   3HB   ALA  51           HB2      ALA  51   5.346  15.432  15.432
  341    HA   PRO  52           HA       PRO  52   1.727  18.221  18.221
  342   1HB   PRO  52           HB2      PRO  52   3.244  17.554  17.554
  343   2HB   PRO  52           HB1      PRO  52   3.547  18.974  18.974
  344   1HG   PRO  52           HG2      PRO  52   5.044  16.395  16.395
  345   2HG   PRO  52           HG1      PRO  52   5.618  18.006  18.006
  346   1HD   PRO  52           HD2      PRO  52   4.969  15.920  15.920
  347   2HD   PRO  52           HD1      PRO  52   5.190  17.627  17.627
  348    H    VAL  53           HN       VAL  53   3.323  15.124  15.124
  349    HA   VAL  53           HA       VAL  53   0.801  14.207  14.207
  350    HB   VAL  53           HB       VAL  53   3.347  12.609  12.609
  351   1HG1  VAL  53          HG12      VAL  53   0.811  12.165  12.165
  352   2HG1  VAL  53          HG11      VAL  53   1.975  12.371  12.371
  353   3HG1  VAL  53          HG13      VAL  53   2.238  11.132  11.132
  354   1HG2  VAL  53          HG23      VAL  53   3.766  14.927  14.927
  355   2HG2  VAL  53          HG22      VAL  53   4.187  13.593  13.593
  356   3HG2  VAL  53          HG21      VAL  53   2.690  14.490  14.490
  357    H    ASP  54           HN       ASP  54  -0.398  14.122  14.122
  358    HA   ASP  54           HA       ASP  54   0.580  12.023  12.023
  359   1HB   ASP  54           HB2      ASP  54  -1.633  14.071  14.071
  360   2HB   ASP  54           HB1      ASP  54  -1.254  12.867  12.867
  361    HA   PRO  55           HA       PRO  55  -3.686  10.236  10.236
  362   1HB   PRO  55           HB2      PRO  55  -5.145  11.463  11.463
  363   2HB   PRO  55           HB1      PRO  55  -5.246  11.918  11.918
  364   1HG   PRO  55           HG2      PRO  55  -3.950  13.370  13.370
  365   2HG   PRO  55           HG1      PRO  55  -4.564  14.001  14.001
  366   1HD   PRO  55           HD2      PRO  55  -1.837  13.467  13.467
  367   2HD   PRO  55           HD1      PRO  55  -2.481  13.920  13.920
  368    H    VAL  56           HN       VAL  56  -2.680   8.438   8.438
  369    HA   VAL  56           HA       VAL  56  -2.705   8.572   8.572
  370    HB   VAL  56           HB       VAL  56  -0.419   7.442   7.442
  371   1HG1  VAL  56          HG13      VAL  56  -1.252   7.361   7.361
  372   2HG1  VAL  56          HG12      VAL  56   0.288   8.215   8.215
  373   3HG1  VAL  56          HG11      VAL  56   0.136   6.576   6.576
  374   1HG2  VAL  56          HG23      VAL  56  -0.630  10.133  10.133
  375   2HG2  VAL  56          HG22      VAL  56  -0.537   9.891   9.891
  376   3HG2  VAL  56          HG21      VAL  56   0.838   9.474   9.474
  377    H    MET  57           HN       MET  57  -4.401   7.006   7.006
  378    HA   MET  57           HA       MET  57  -3.489   4.298   4.298
  379   1HB   MET  57           HB2      MET  57  -5.500   3.706   3.706
  380   2HB   MET  57           HB1      MET  57  -4.981   5.237   5.237
  381   1HG   MET  57           HG2      MET  57  -6.885   5.208   5.208
  382   2HG   MET  57           HG1      MET  57  -7.484   4.950   4.950
  383   1HE   MET  57           HE2      MET  57  -6.371   7.112   7.112
  384   2HE   MET  57           HE1      MET  57  -8.009   7.568   7.568
  385   3HE   MET  57           HE3      MET  57  -6.692   8.745   8.745
  386    H    VAL  58           HN       VAL  58  -4.031   2.719   2.719
  387    HA   VAL  58           HA       VAL  58  -5.980   3.437   3.437
  388    HB   VAL  58           HB       VAL  58  -3.714   1.881   1.881
  389   1HG1  VAL  58          HG13      VAL  58  -5.014   4.495   4.495
  390   2HG1  VAL  58          HG12      VAL  58  -3.863   3.581   3.581
  391   3HG1  VAL  58          HG11      VAL  58  -5.441   2.891   2.891
  392   1HG2  VAL  58          HG23      VAL  58  -3.247   4.540   4.540
  393   2HG2  VAL  58          HG22      VAL  58  -2.205   3.117   3.117
  394   3HG2  VAL  58          HG21      VAL  58  -2.353   4.142   4.142
  395    H    ASP  59           HN       ASP  59  -6.848   1.568   1.568
  396    HA   ASP  59           HA       ASP  59  -6.573  -0.990  -0.990
  397   1HB   ASP  59           HB2      ASP  59  -8.780   0.035   0.035
  398   2HB   ASP  59           HB1      ASP  59  -8.982   0.184   0.184
  399    H    ASN  60           HN       ASN  60  -5.811  -2.670  -2.670
  400    HA   ASN  60           HA       ASN  60  -5.479  -2.237  -2.237
  401   1HB   ASN  60           HB2      ASN  60  -3.682  -3.221  -3.221
  402   2HB   ASN  60           HB1      ASN  60  -4.668  -4.683  -4.683
  403   1HD2  ASN  60          HD22      ASN  60  -4.108  -5.471  -5.471
  404   2HD2  ASN  60          HD21      ASN  60  -5.288  -5.580  -5.580
  405    H    GLY  61           HN       GLY  61  -7.647  -4.016  -4.016
  406   1HA   GLY  61           HA2      GLY  61  -9.681  -4.987  -4.987
  407   2HA   GLY  61           HA1      GLY  61  -9.064  -4.910  -4.910
  408    H    ASP  62           HN       ASP  62  -6.662  -6.213  -6.213
  409    HA   ASP  62           HA       ASP  62  -7.410  -8.954  -8.954
  410   1HB   ASP  62           HB2      ASP  62  -5.016  -9.483  -9.483
  411   2HB   ASP  62           HB1      ASP  62  -5.217  -8.124  -8.124
  412    H    GLY  63           HN       GLY  63  -8.423  -7.523  -7.523
  413   1HA   GLY  63           HA2      GLY  63  -9.087  -8.390  -8.390
  414   2HA   GLY  63           HA1      GLY  63  -8.020  -9.769  -9.769
  415    H    THR  64           HN       THR  64  -6.039  -7.367  -7.367
  416    HA   THR  64           HA       THR  64  -5.219  -6.863  -6.863
  417    HB   THR  64           HB       THR  64  -2.851  -6.832  -6.832
  418    HG1  THR  64           HG1      THR  64  -3.564  -6.649  -6.649
  419   1HG2  THR  64          HG21      THR  64  -3.743  -8.744  -8.744
  420   2HG2  THR  64          HG23      THR  64  -4.404  -9.426  -9.426
  421   3HG2  THR  64          HG22      THR  64  -2.658  -9.286  -9.286
  422    H    TYR  65           HN       TYR  65  -4.737  -4.688  -4.688
  423    HA   TYR  65           HA       TYR  65  -4.811  -2.841  -2.841
  424   1HB   TYR  65           HB2      TYR  65  -5.848  -2.312  -2.312
  425   2HB   TYR  65           HB1      TYR  65  -5.990  -1.233  -1.233
  426    HD1  TYR  65           HD1      TYR  65  -6.447  -3.310  -3.310
  427    HD2  TYR  65           HD2      TYR  65  -8.192  -2.844  -2.844
  428    HE1  TYR  65           HE1      TYR  65  -8.437  -4.539  -4.539
  429    HE2  TYR  65           HE2      TYR  65 -10.193  -4.077  -4.077
  430    HH   TYR  65           HH       TYR  65 -10.274  -5.829  -5.829
  431    H    ASP  66           HN       ASP  66  -3.496  -0.870  -0.870
  432    HA   ASP  66           HA       ASP  66  -1.318  -1.236  -1.236
  433   1HB   ASP  66           HB2      ASP  66  -0.705  -1.903  -1.903
  434   2HB   ASP  66           HB1      ASP  66  -0.904  -0.206  -0.206
  435    H    VAL  67           HN       VAL  67  -0.642   0.582   0.582
  436    HA   VAL  67           HA       VAL  67  -1.779   3.171   3.171
  437    HB   VAL  67           HB       VAL  67  -2.375   3.733   3.733
  438   1HG1  VAL  67          HG12      VAL  67  -3.271   1.294   1.294
  439   2HG1  VAL  67          HG11      VAL  67  -3.069   0.997   0.997
  440   3HG1  VAL  67          HG13      VAL  67  -4.123   2.298   2.298
  441   1HG2  VAL  67          HG22      VAL  67  -0.768   1.339   1.339
  442   2HG2  VAL  67          HG21      VAL  67  -0.294   3.027   3.027
  443   3HG2  VAL  67          HG23      VAL  67  -1.686   2.397   2.397
  444    H    GLU  68           HN       GLU  68  -0.277   5.017   5.017
  445    HA   GLU  68           HA       GLU  68   2.357   4.363   4.363
  446   1HB   GLU  68           HB2      GLU  68   2.388   5.430   5.430
  447   2HB   GLU  68           HB1      GLU  68   3.642   4.542   4.542
  448   1HG   GLU  68           HG2      GLU  68   2.213   2.499   2.499
  449   2HG   GLU  68           HG1      GLU  68   1.016   3.406   3.406
  450    H    PHE  69           HN       PHE  69   3.109   6.115   6.115
  451    HA   PHE  69           HA       PHE  69   2.589   8.791   8.791
  452   1HB   PHE  69           HB2      PHE  69   2.102   9.818   9.818
  453   2HB   PHE  69           HB1      PHE  69   1.008   8.452   8.452
  454    HD1  PHE  69           HD1      PHE  69   2.167   6.128   6.128
  455    HD2  PHE  69           HD2      PHE  69   3.113  10.095  10.095
  456    HE1  PHE  69           HE1      PHE  69   3.061   5.214   5.214
  457    HE2  PHE  69           HE2      PHE  69   4.001   9.174   9.174
  458    HZ   PHE  69           HZ       PHE  69   3.958   6.716   6.716
  459    H    GLU  70           HN       GLU  70   4.315  10.365  10.365
  460    HA   GLU  70           HA       GLU  70   6.715   9.160   9.160
  461   1HB   GLU  70           HB2      GLU  70   7.058   8.564   8.564
  462   2HB   GLU  70           HB1      GLU  70   6.556  10.159  10.159
  463   1HG   GLU  70           HG2      GLU  70   8.520  11.128  11.128
  464   2HG   GLU  70           HG1      GLU  70   9.062   9.476   9.476
  465    HA   PRO  71           HA       PRO  71   6.438  13.486  13.486
  466   1HB   PRO  71           HB2      PRO  71   7.805  13.063  13.063
  467   2HB   PRO  71           HB1      PRO  71   6.075  12.739  12.739
  468   1HG   PRO  71           HG2      PRO  71   8.338  10.814  10.814
  469   2HG   PRO  71           HG1      PRO  71   6.634  10.572  10.572
  470   1HD   PRO  71           HD2      PRO  71   7.922   9.705   9.705
  471   2HD   PRO  71           HD1      PRO  71   6.171   9.731   9.731
  472    H    LYS  72           HN       LYS  72   8.610  14.496  14.496
  473    HA   LYS  72           HA       LYS  72  11.059  14.070  14.070
  474   1HB   LYS  72           HB2      LYS  72  11.128  16.750  16.750
  475   2HB   LYS  72           HB1      LYS  72  10.387  15.853  15.853
  476   1HG   LYS  72           HG2      LYS  72   8.239  16.350  16.350
  477   2HG   LYS  72           HG1      LYS  72   8.683  16.469  16.469
  478   1HD   LYS  72           HD2      LYS  72   8.636  18.709  18.709
  479   2HD   LYS  72           HD1      LYS  72  10.137  18.515  18.515
  480   1HE   LYS  72           HE2      LYS  72   9.068  18.625  18.625
  481   2HE   LYS  72           HE1      LYS  72   7.535  18.043  18.043
  482   1HZ   LYS  72           HZ1      LYS  72   8.210  20.450  20.450
  483   2HZ   LYS  72           HZ3      LYS  72   8.337  20.682  20.682
  484   3HZ   LYS  72           HZ2      LYS  72   6.880  20.122  20.122
  485    H    GLU  73           HN       GLU  73   9.825  16.303  16.303
  486    HA   GLU  73           HA       GLU  73  12.424  16.094  16.094
  487   1HB   GLU  73           HB2      GLU  73  11.486  17.962  17.962
  488   2HB   GLU  73           HB1      GLU  73  11.466  18.316  18.316
  489   1HG   GLU  73           HG2      GLU  73   9.151  18.002  18.002
  490   2HG   GLU  73           HG1      GLU  73   9.067  17.022  17.022
  491    H    ALA  74           HN       ALA  74  10.613  16.800  16.800
  492    HA   ALA  74           HA       ALA  74  10.422  13.994  13.994
  493   1HB   ALA  74           HB2      ALA  74  11.216  16.322  16.322
  494   2HB   ALA  74           HB1      ALA  74   9.594  16.052  16.052
  495   3HB   ALA  74           HB3      ALA  74  10.829  14.801  14.801
  496    H    GLY  75           HN       GLY  75   8.522  12.927  12.927
  497   1HA   GLY  75           HA2      GLY  75   6.023  14.423  14.423
  498   2HA   GLY  75           HA1      GLY  75   6.217  13.635  13.635
  499    H    ASP  76           HN       ASP  76   4.193  13.035  13.035
  500    HA   ASP  76           HA       ASP  76   4.926  10.245  10.245
  501   1HB   ASP  76           HB2      ASP  76   2.940  10.463  10.463
  502   2HB   ASP  76           HB1      ASP  76   4.322  11.477  11.477
  503    H    TYR  77           HN       TYR  77   3.230   8.673   8.673
  504    HA   TYR  77           HA       TYR  77   1.547   9.541   9.541
  505   1HB   TYR  77           HB2      TYR  77   2.356   6.708   6.708
  506   2HB   TYR  77           HB1      TYR  77   1.733   7.371   7.371
  507    HD1  TYR  77           HD1      TYR  77   3.447   9.965   9.965
  508    HD2  TYR  77           HD2      TYR  77   4.322   5.775   5.775
  509    HE1  TYR  77           HE1      TYR  77   5.730  10.398  10.398
  510    HE2  TYR  77           HE2      TYR  77   6.600   6.196   6.196
  511    HH   TYR  77           HH       TYR  77   7.630   8.325   8.325
  512    H    VAL  78           HN       VAL  78  -0.545   9.118   9.118
  513    HA   VAL  78           HA       VAL  78  -1.668   7.522   7.522
  514    HB   VAL  78           HB       VAL  78  -2.499   9.680   9.680
  515   1HG1  VAL  78          HG13      VAL  78  -2.661   9.889   9.889
  516   2HG1  VAL  78          HG12      VAL  78  -3.427  11.065  11.065
  517   3HG1  VAL  78          HG11      VAL  78  -1.676  10.853  10.853
  518   1HG2  VAL  78          HG23      VAL  78  -4.218   7.696   7.696
  519   2HG2  VAL  78          HG22      VAL  78  -4.703   9.178   9.178
  520   3HG2  VAL  78          HG21      VAL  78  -4.741   9.097   9.097
  521    H    ILE  79           HN       ILE  79  -2.645   5.740   5.740
  522    HA   ILE  79           HA       ILE  79  -3.087   5.566   5.566
  523    HB   ILE  79           HB       ILE  79  -3.088   3.057   3.057
  524   1HG1  ILE  79          HG12      ILE  79  -0.401   3.379   3.379
  525   2HG1  ILE  79          HG11      ILE  79  -0.867   5.029   5.029
  526   1HG2  ILE  79          HG22      ILE  79  -3.113   3.326   3.326
  527   2HG2  ILE  79          HG21      ILE  79  -1.461   3.930   3.930
  528   3HG2  ILE  79          HG23      ILE  79  -1.836   2.282   2.282
  529   1HD1  ILE  79          HD11      ILE  79  -2.277   3.883   3.883
  530   2HD1  ILE  79          HD13      ILE  79  -1.196   2.516   2.516
  531   3HD1  ILE  79          HD12      ILE  79  -0.540   4.078   4.078
  532    H    ASN  80           HN       ASN  80  -4.763   4.303   4.303
  533    HA   ASN  80           HA       ASN  80  -7.087   3.725   3.725
  534   1HB   ASN  80           HB2      ASN  80  -7.461   5.579   5.579
  535   2HB   ASN  80           HB1      ASN  80  -8.560   5.253   5.253
  536   1HD2  ASN  80          HD22      ASN  80  -5.485   7.895   7.895
  537   2HD2  ASN  80          HD21      ASN  80  -5.432   6.823   6.823
  538    H    LEU  81           HN       LEU  81  -7.572   1.724   1.724
  539    HA   LEU  81           HA       LEU  81  -7.909   1.319   1.319
  540   1HB   LEU  81           HB2      LEU  81  -6.399  -0.366  -0.366
  541   2HB   LEU  81           HB1      LEU  81  -5.688   0.284   0.284
  542    HG   LEU  81           HG       LEU  81  -7.329  -1.250  -1.250
  543   1HD1  LEU  81          HD11      LEU  81  -8.031  -1.759  -1.759
  544   2HD1  LEU  81          HD13      LEU  81  -7.345  -3.233  -3.233
  545   3HD1  LEU  81          HD12      LEU  81  -8.731  -2.465  -2.465
  546   1HD2  LEU  81          HD22      LEU  81  -4.789  -1.774  -1.774
  547   2HD2  LEU  81          HD21      LEU  81  -5.339  -2.262  -2.262
  548   3HD2  LEU  81          HD23      LEU  81  -5.720  -3.254  -3.254
  549    H    THR  82           HN       THR  82  -9.884   0.498   0.498
  550    HA   THR  82           HA       THR  82 -11.153  -1.029  -1.029
  551    HB   THR  82           HB       THR  82 -13.274   0.294   0.294
  552    HG1  THR  82           HG1      THR  82 -11.153   1.929   1.929
  553   1HG2  THR  82          HG22      THR  82 -11.113   0.920   0.920
  554   2HG2  THR  82          HG21      THR  82 -11.992   2.361   2.361
  555   3HG2  THR  82          HG23      THR  82 -12.857   1.022   1.022
  556    H    LEU  83           HN       LEU  83 -12.362  -2.764  -2.764
  557    HA   LEU  83           HA       LEU  83 -13.118  -2.977  -2.977
  558   1HB   LEU  83           HB2      LEU  83 -11.009  -4.318  -4.318
  559   2HB   LEU  83           HB1      LEU  83 -12.000  -5.329  -5.329
  560    HG   LEU  83           HG       LEU  83 -11.621  -6.071  -6.071
  561   1HD1  LEU  83          HD11      LEU  83 -13.320  -6.928  -6.928
  562   2HD1  LEU  83          HD13      LEU  83 -14.504  -5.948  -5.948
  563   3HD1  LEU  83          HD12      LEU  83 -13.666  -7.255  -7.255
  564   1HD2  LEU  83          HD23      LEU  83 -12.342  -3.729  -3.729
  565   2HD2  LEU  83          HD22      LEU  83 -13.066  -5.110  -5.110
  566   3HD2  LEU  83          HD21      LEU  83 -13.987  -4.227  -4.227
  567    H    ASP  84           HN       ASP  84 -15.165  -2.296  -2.296
  568    HA   ASP  84           HA       ASP  84 -17.283  -3.812  -3.812
  569   1HB   ASP  84           HB2      ASP  84 -15.745  -4.775  -4.775
  570   2HB   ASP  84           HB1      ASP  84 -17.508  -4.785  -4.785
  571    H    GLY  85           HN       GLY  85 -15.459  -1.629  -1.629
  572   1HA   GLY  85           HA2      GLY  85 -16.809   0.561   0.561
  573   2HA   GLY  85           HA1      GLY  85 -17.947  -0.466  -0.466
  574    H    ASP  86           HN       ASP  86 -14.961  -1.788  -1.788
  575    HA   ASP  86           HA       ASP  86 -14.551  -0.022  -0.022
  576   1HB   ASP  86           HB2      ASP  86 -14.750  -3.006  -3.006
  577   2HB   ASP  86           HB1      ASP  86 -13.608  -2.345  -2.345
  578    H    ASN  87           HN       ASN  87 -12.159  -0.262  -0.262
  579    HA   ASN  87           HA       ASN  87 -10.461  -0.537  -0.537
  580   1HB   ASN  87           HB2      ASN  87  -9.277   0.696   0.696
  581   2HB   ASN  87           HB1      ASN  87  -9.197   1.221   1.221
  582   1HD2  ASN  87          HD22      ASN  87 -11.723   3.624   3.624
  583   2HD2  ASN  87          HD21      ASN  87 -10.434   3.040   3.040
  584    H    VAL  88           HN       VAL  88  -8.343  -1.540  -1.540
  585    HA   VAL  88           HA       VAL  88  -8.558  -3.981  -3.981
  586    HB   VAL  88           HB       VAL  88  -6.127  -2.648  -2.648
  587   1HG1  VAL  88          HG13      VAL  88  -6.555  -5.412  -5.412
  588   2HG1  VAL  88          HG12      VAL  88  -5.244  -5.042  -5.042
  589   3HG1  VAL  88          HG11      VAL  88  -5.320  -4.236  -4.236
  590   1HG2  VAL  88          HG22      VAL  88  -8.017  -4.822  -4.822
  591   2HG2  VAL  88          HG21      VAL  88  -7.880  -3.194  -3.194
  592   3HG2  VAL  88          HG23      VAL  88  -6.548  -4.334  -4.334
  593    H    ASN  89           HN       ASN  89  -6.786  -4.616  -4.616
  594    HA   ASN  89           HA       ASN  89  -6.986  -2.649  -2.649
  595   1HB   ASN  89           HB2      ASN  89  -6.662  -5.462  -5.462
  596   2HB   ASN  89           HB1      ASN  89  -5.282  -4.837  -4.837
  597   1HD2  ASN  89          HD22      ASN  89  -8.956  -4.849  -4.849
  598   2HD2  ASN  89          HD21      ASN  89  -8.699  -5.475  -5.475
  599    H    GLY  90           HN       GLY  90  -5.176  -2.007  -2.007
  600   1HA   GLY  90           HA2      GLY  90  -2.873  -1.208  -1.208
  601   2HA   GLY  90           HA1      GLY  90  -2.499  -2.190  -2.190
  602    H    PHE  91           HN       PHE  91  -5.198  -0.044  -0.044
  603    HA   PHE  91           HA       PHE  91  -3.531   1.704   1.704
  604   1HB   PHE  91           HB2      PHE  91  -6.180   0.486   0.486
  605   2HB   PHE  91           HB1      PHE  91  -5.962   2.129   2.129
  606    HD1  PHE  91           HD2      PHE  91  -4.258  -1.175  -1.175
  607    HD2  PHE  91           HD1      PHE  91  -4.804   2.456   2.456
  608    HE1  PHE  91           HE2      PHE  91  -2.819  -2.042  -2.042
  609    HE2  PHE  91           HE1      PHE  91  -3.355   1.617   1.617
  610    HZ   PHE  91           HZ       PHE  91  -2.391  -0.672  -0.672
  611    HA   PRO  92           HA       PRO  92  -6.424   4.768   4.768
  612   1HB   PRO  92           HB2      PRO  92  -7.537   4.007   4.007
  613   2HB   PRO  92           HB1      PRO  92  -8.380   3.911   3.911
  614   1HG   PRO  92           HG2      PRO  92  -7.189   1.718   1.718
  615   2HG   PRO  92           HG1      PRO  92  -8.515   1.655   1.655
  616   1HD   PRO  92           HD2      PRO  92  -5.863   0.830   0.830
  617   2HD   PRO  92           HD1      PRO  92  -7.092   1.094   1.094
  618    H    LYS  93           HN       LYS  93  -3.820   3.143   3.143
  619    HA   LYS  93           HA       LYS  93  -3.114   4.559   4.559
  620   1HB   LYS  93           HB2      LYS  93  -2.641   2.104   2.104
  621   2HB   LYS  93           HB1      LYS  93  -1.605   2.433   2.433
  622   1HG   LYS  93           HG2      LYS  93  -0.095   3.751   3.751
  623   2HG   LYS  93           HG1      LYS  93  -1.193   3.700   3.700
  624   1HD   LYS  93           HD2      LYS  93  -0.890   1.272   1.272
  625   2HD   LYS  93           HD1      LYS  93   0.157   1.282   1.282
  626   1HE   LYS  93           HE2      LYS  93   1.896   1.640   1.640
  627   2HE   LYS  93           HE1      LYS  93   1.225   3.240   3.240
  628   1HZ   LYS  93           HZ1      LYS  93  -0.289   1.829   1.829
  629   2HZ   LYS  93           HZ3      LYS  93   1.064   0.806   0.806
  630   3HZ   LYS  93           HZ2      LYS  93   1.226   2.424   2.424
  631    H    THR  94           HN       THR  94  -0.834   5.457   5.457
  632    HA   THR  94           HA       THR  94  -0.358   6.723   6.723
  633    HB   THR  94           HB       THR  94   0.139   7.997   7.997
  634    HG1  THR  94           HG1      THR  94  -2.121   7.513   7.513
  635   1HG2  THR  94          HG23      THR  94   1.377   8.722   8.722
  636   2HG2  THR  94          HG22      THR  94  -0.189   9.307   9.307
  637   3HG2  THR  94          HG21      THR  94   0.530   9.978   9.978
  638    H    VAL  95           HN       VAL  95   1.627   6.410   6.410
  639    HA   VAL  95           HA       VAL  95   3.657   5.335   5.335
  640    HB   VAL  95           HB       VAL  95   3.356   5.133   5.133
  641   1HG1  VAL  95          HG13      VAL  95   5.712   5.917   5.917
  642   2HG1  VAL  95          HG12      VAL  95   5.891   4.409   4.409
  643   3HG1  VAL  95          HG11      VAL  95   5.602   4.373   4.373
  644   1HG2  VAL  95          HG22      VAL  95   3.464   3.360   3.360
  645   2HG2  VAL  95          HG21      VAL  95   2.535   3.191   3.191
  646   3HG2  VAL  95          HG23      VAL  95   4.242   2.753   2.753
  647    H    THR  96           HN       THR  96   5.864   6.330   6.330
  648    HA   THR  96           HA       THR  96   5.629   9.178   9.178
  649    HB   THR  96           HB       THR  96   6.959   8.022   8.022
  650    HG1  THR  96           HG1      THR  96   5.151   8.572   8.572
  651   1HG2  THR  96          HG23      THR  96   7.252  10.633  10.633
  652   2HG2  THR  96          HG22      THR  96   7.101  10.684  10.684
  653   3HG2  THR  96          HG21      THR  96   8.406   9.761   9.761
  654    H    VAL  97           HN       VAL  97   7.282  10.191  10.191
  655    HA   VAL  97           HA       VAL  97   9.840   8.717   8.717
  656    HB   VAL  97           HB       VAL  97   8.089  10.157  10.157
  657   1HG1  VAL  97          HG12      VAL  97  11.106   9.949   9.949
  658   2HG1  VAL  97          HG11      VAL  97  10.118  10.252  10.252
  659   3HG1  VAL  97          HG13      VAL  97  10.137  11.422  11.422
  660   1HG2  VAL  97          HG21      VAL  97   9.720   7.634   7.634
  661   2HG2  VAL  97          HG23      VAL  97   8.029   7.825   7.825
  662   3HG2  VAL  97          HG22      VAL  97   9.307   8.322   8.322
  663    H    LYS  98           HN       LYS  98  11.702  10.096  10.096
  664    HA   LYS  98           HA       LYS  98  11.233  12.590  12.590
  665   1HB   LYS  98           HB2      LYS  98  13.217  10.514  10.514
  666   2HB   LYS  98           HB1      LYS  98  14.007  12.063  12.063
  667   1HG   LYS  98           HG2      LYS  98  12.850  12.977  12.977
  668   2HG   LYS  98           HG1      LYS  98  12.158  11.381  11.381
  669   1HD   LYS  98           HD2      LYS  98  14.858  10.839  10.839
  670   2HD   LYS  98           HD1      LYS  98  14.858  12.361  12.361
  671   1HE   LYS  98           HE2      LYS  98  13.372   9.833   9.833
  672   2HE   LYS  98           HE1      LYS  98  14.801  10.490  10.490
  673   1HZ   LYS  98           HZ1      LYS  98  12.882  12.517  12.517
  674   2HZ   LYS  98           HZ3      LYS  98  12.116  11.138  11.138
  675   3HZ   LYS  98           HZ2      LYS  98  13.492  11.765  11.765
  676    HA   PRO  99           HA       PRO  99  12.438  15.445  15.445
  677   1HB   PRO  99           HB2      PRO  99  14.663  16.774  16.774
  678   2HB   PRO  99           HB1      PRO  99  13.001  17.071  17.071
  679   1HG   PRO  99           HG2      PRO  99  15.184  15.543  15.543
  680   2HG   PRO  99           HG1      PRO  99  13.853  16.474  16.474
  681   1HD   PRO  99           HD2      PRO  99  13.906  13.706  13.706
  682   2HD   PRO  99           HD1      PRO  99  12.421  14.660  14.660
  683    H    ALA 100           HN       ALA 100  12.961  13.692  13.692
  684    HA   ALA 100           HA       ALA 100  15.120  12.247  12.247
  685   1HB   ALA 100           HB1      ALA 100  12.992  12.911  12.911
  686   2HB   ALA 100           HB3      ALA 100  14.117  14.008  14.008
  687   3HB   ALA 100           HB2      ALA 100  14.422  12.269  12.269

  Start of MODEL    6
    1   1H    ALA   1           HT3      ALA   1 -18.134 -12.691 -12.691
    2   2H    ALA   1           HT2      ALA   1 -18.556 -11.269 -11.269
    3   3H    ALA   1           HT1      ALA   1 -19.392 -11.715 -11.715
    4    HA   ALA   1           HA       ALA   1 -17.520 -11.292 -11.292
    5   1HB   ALA   1           HB1      ALA   1 -18.882  -9.322  -9.322
    6   2HB   ALA   1           HB3      ALA   1 -17.681  -9.061  -9.061
    7   3HB   ALA   1           HB2      ALA   1 -17.222  -8.916  -8.916
    8    H    ASP   2           HN       ASP   2 -15.527  -9.352  -9.352
    9    HA   ASP   2           HA       ASP   2 -13.663 -11.314 -11.314
   10   1HB   ASP   2           HB2      ASP   2 -12.993 -10.828 -10.828
   11   2HB   ASP   2           HB1      ASP   2 -13.154  -9.095  -9.095
   12    HA   PRO   3           HA       PRO   3 -13.831  -7.377  -7.377
   13   1HB   PRO   3           HB2      PRO   3 -15.517  -8.206  -8.206
   14   2HB   PRO   3           HB1      PRO   3 -16.076  -7.300  -7.300
   15   1HG   PRO   3           HG2      PRO   3 -16.368 -10.215 -10.215
   16   2HG   PRO   3           HG1      PRO   3 -17.429  -9.153  -9.153
   17   1HD   PRO   3           HD2      PRO   3 -15.604 -10.979 -10.979
   18   2HD   PRO   3           HD1      PRO   3 -16.332  -9.597  -9.597
   19    H    GLU   4           HN       GLU   4 -13.101 -10.622 -10.622
   20    HA   GLU   4           HA       GLU   4 -11.577 -10.378 -10.378
   21   1HB   GLU   4           HB2      GLU   4 -13.755 -11.989 -11.989
   22   2HB   GLU   4           HB1      GLU   4 -12.415 -13.068 -13.068
   23   1HG   GLU   4           HG2      GLU   4 -11.355 -12.219 -12.219
   24   2HG   GLU   4           HG1      GLU   4 -12.971 -11.624 -11.624
   25    H    LYS   5           HN       LYS   5 -11.099 -10.452 -10.452
   26    HA   LYS   5           HA       LYS   5  -8.570 -11.950 -11.950
   27   1HB   LYS   5           HB2      LYS   5 -10.884 -12.856 -12.856
   28   2HB   LYS   5           HB1      LYS   5  -9.374 -12.792 -12.792
   29   1HG   LYS   5           HG2      LYS   5  -8.743 -14.718 -14.718
   30   2HG   LYS   5           HG1      LYS   5  -8.748 -13.898 -13.898
   31   1HD   LYS   5           HD2      LYS   5 -11.010 -14.509 -14.509
   32   2HD   LYS   5           HD1      LYS   5 -11.273 -14.997 -14.997
   33   1HE   LYS   5           HE2      LYS   5 -10.229 -17.021 -17.021
   34   2HE   LYS   5           HE1      LYS   5  -9.080 -16.383 -16.383
   35   1HZ   LYS   5           HZ1      LYS   5 -10.890 -16.281 -16.281
   36   2HZ   LYS   5           HZ3      LYS   5 -11.948 -16.971 -16.971
   37   3HZ   LYS   5           HZ2      LYS   5 -10.626 -17.866 -17.866
   38    H    SER   6           HN       SER   6  -9.289  -9.183  -9.183
   39    HA   SER   6           HA       SER   6  -8.203  -8.547  -8.547
   40   1HB   SER   6           HB2      SER   6  -9.739  -6.741  -6.741
   41   2HB   SER   6           HB1      SER   6  -9.201  -6.333  -6.333
   42    HG   SER   6           HG       SER   6 -11.187  -8.146  -8.146
   43    H    TYR   7           HN       TYR   7  -6.064  -8.111  -8.111
   44    HA   TYR   7           HA       TYR   7  -5.186  -6.358  -6.358
   45   1HB   TYR   7           HB2      TYR   7  -3.003  -7.878  -7.878
   46   2HB   TYR   7           HB1      TYR   7  -4.357  -8.310  -8.310
   47    HD1  TYR   7           HD1      TYR   7  -6.230  -9.786  -9.786
   48    HD2  TYR   7           HD2      TYR   7  -2.253  -9.398  -9.398
   49    HE1  TYR   7           HE1      TYR   7  -6.518 -11.909 -11.909
   50    HE2  TYR   7           HE2      TYR   7  -2.541 -11.519 -11.519
   51    HH   TYR   7           HH       TYR   7  -5.574 -13.016 -13.016
   52    H    ALA   8           HN       ALA   8  -3.520  -4.937  -4.937
   53    HA   ALA   8           HA       ALA   8  -2.600  -4.950  -4.950
   54   1HB   ALA   8           HB2      ALA   8  -4.022  -2.944  -2.944
   55   2HB   ALA   8           HB1      ALA   8  -2.360  -2.365  -2.365
   56   3HB   ALA   8           HB3      ALA   8  -3.244  -2.797  -2.797
   57    H    GLU   9           HN       GLU   9  -0.417  -5.302  -5.302
   58    HA   GLU   9           HA       GLU   9   1.292  -4.224  -4.224
   59   1HB   GLU   9           HB2      GLU   9   2.597  -6.502  -6.502
   60   2HB   GLU   9           HB1      GLU   9   1.205  -6.421  -6.421
   61   1HG   GLU   9           HG2      GLU   9  -0.259  -7.266  -7.266
   62   2HG   GLU   9           HG1      GLU   9   1.097  -7.291  -7.291
   63    H    GLY  10           HN       GLY  10   3.284  -3.524  -3.524
   64   1HA   GLY  10           HA2      GLY  10   4.390  -4.304  -4.304
   65   2HA   GLY  10           HA1      GLY  10   3.751  -2.666  -2.666
   66    HA   PRO  11           HA       PRO  11   8.045  -2.616  -2.616
   67   1HB   PRO  11           HB2      PRO  11   9.314  -1.496  -1.496
   68   2HB   PRO  11           HB1      PRO  11   9.205  -3.245  -3.245
   69   1HG   PRO  11           HG2      PRO  11   7.717  -1.543  -1.543
   70   2HG   PRO  11           HG1      PRO  11   8.126  -3.263  -3.263
   71   1HD   PRO  11           HD2      PRO  11   5.600  -2.199  -2.199
   72   2HD   PRO  11           HD1      PRO  11   6.119  -3.883  -3.883
   73    H    GLY  12           HN       GLY  12   5.567  -0.708  -0.708
   74   1HA   GLY  12           HA2      GLY  12   6.938   1.847   1.847
   75   2HA   GLY  12           HA1      GLY  12   5.553   1.736   1.736
   76    H    LEU  13           HN       LEU  13   5.673   3.321   3.321
   77    HA   LEU  13           HA       LEU  13   3.901   3.930   3.930
   78   1HB   LEU  13           HB2      LEU  13   2.010   2.772   2.772
   79   2HB   LEU  13           HB1      LEU  13   2.793   1.631   1.631
   80    HG   LEU  13           HG       LEU  13   3.024   1.388   1.388
   81   1HD1  LEU  13          HD12      LEU  13   0.636   1.292   1.292
   82   2HD1  LEU  13          HD11      LEU  13   1.083  -0.387  -0.387
   83   3HD1  LEU  13          HD13      LEU  13   0.911   0.736   0.736
   84   1HD2  LEU  13          HD22      LEU  13   4.520  -0.019  -0.019
   85   2HD2  LEU  13          HD21      LEU  13   3.354  -0.999  -0.999
   86   3HD2  LEU  13          HD23      LEU  13   3.102  -0.666  -0.666
   87    H    ASP  14           HN       ASP  14   6.038   1.281   1.281
   88    HA   ASP  14           HA       ASP  14   5.856   0.878   0.878
   89   1HB   ASP  14           HB2      ASP  14   8.529   1.194   1.194
   90   2HB   ASP  14           HB1      ASP  14   8.039   0.032   0.032
   91    H    GLY  15           HN       GLY  15   6.854   3.609   3.609
   92   1HA   GLY  15           HA2      GLY  15   7.170   5.830   5.830
   93   2HA   GLY  15           HA1      GLY  15   7.195   5.194   5.194
   94    H    GLY  16           HN       GLY  16   9.053   5.661   5.661
   95   1HA   GLY  16           HA2      GLY  16  11.365   5.765   5.765
   96   2HA   GLY  16           HA1      GLY  16  11.550   4.631   4.631
   97    H    GLU  17           HN       GLU  17  11.051   5.841   5.841
   98    HA   GLU  17           HA       GLU  17  12.468   8.467   8.467
   99   1HB   GLU  17           HB2      GLU  17  13.024   6.115   6.115
  100   2HB   GLU  17           HB1      GLU  17  13.493   7.728   7.728
  101   1HG   GLU  17           HG2      GLU  17  15.397   6.870   6.870
  102   2HG   GLU  17           HG1      GLU  17  14.605   7.932   7.932
  103    H    CYS  18           HN       CYS  18  11.821  10.018  10.018
  104    HA   CYS  18           HA       CYS  18   9.287   9.643   9.643
  105   1HB   CYS  18           HB2      CYS  18  10.886  12.028  12.028
  106   2HB   CYS  18           HB1      CYS  18   9.848  12.189  12.189
  107    HG   CYS  18           HG       CYS  18   8.711  12.565  12.565
  108    H    PHE  19           HN       PHE  19  12.667   9.844   9.844
  109    HA   PHE  19           HA       PHE  19  12.253  10.589  10.589
  110   1HB   PHE  19           HB2      PHE  19  14.689  10.066  10.066
  111   2HB   PHE  19           HB1      PHE  19  14.804  10.242  10.242
  112    HD1  PHE  19           HD2      PHE  19  12.839  11.841  11.841
  113    HD2  PHE  19           HD1      PHE  19  15.335  12.415  12.415
  114    HE1  PHE  19           HE2      PHE  19  12.545  14.283  14.283
  115    HE2  PHE  19           HE1      PHE  19  15.036  14.872  14.872
  116    HZ   PHE  19           HZ       PHE  19  13.627  15.781  15.781
  117    H    GLN  20           HN       GLN  20  11.582   7.897   7.897
  118    HA   GLN  20           HA       GLN  20  12.830   6.085   6.085
  119   1HB   GLN  20           HB2      GLN  20  12.083   5.793   5.793
  120   2HB   GLN  20           HB1      GLN  20  11.051   4.727   4.727
  121   1HG   GLN  20           HG2      GLN  20  13.582   4.403   4.403
  122   2HG   GLN  20           HG1      GLN  20  13.893   4.485   4.485
  123   1HE2  GLN  20          HE22      GLN  20  12.510   1.305   1.305
  124   2HE2  GLN  20          HE21      GLN  20  13.326   2.660   2.660
  125    HA   PRO  21           HA       PRO  21   9.059   6.192   6.192
  126   1HB   PRO  21           HB2      PRO  21   9.061   3.652   3.652
  127   2HB   PRO  21           HB1      PRO  21  10.075   4.979   4.979
  128   1HG   PRO  21           HG2      PRO  21  10.851   2.624   2.624
  129   2HG   PRO  21           HG1      PRO  21  11.822   3.541   3.541
  130   1HD   PRO  21           HD2      PRO  21  11.980   3.818   3.818
  131   2HD   PRO  21           HD1      PRO  21  12.564   5.013   5.013
  132    H    SER  22           HN       SER  22   6.956   5.970   5.970
  133    HA   SER  22           HA       SER  22   6.574   3.761   3.761
  134   1HB   SER  22           HB2      SER  22   6.037   6.453   6.453
  135   2HB   SER  22           HB1      SER  22   4.473   5.748   5.748
  136    HG   SER  22           HG       SER  22   5.007   4.219   4.219
  137    H    LYS  23           HN       LYS  23   5.745   1.995   1.995
  138    HA   LYS  23           HA       LYS  23   3.252   2.329   2.329
  139   1HB   LYS  23           HB2      LYS  23   5.445   0.661   0.661
  140   2HB   LYS  23           HB1      LYS  23   4.029   1.348   1.348
  141   1HG   LYS  23           HG2      LYS  23   5.049   3.645   3.645
  142   2HG   LYS  23           HG1      LYS  23   6.537   2.781   2.781
  143   1HD   LYS  23           HD2      LYS  23   6.428   1.708   1.708
  144   2HD   LYS  23           HD1      LYS  23   5.040   2.727   2.727
  145   1HE   LYS  23           HE2      LYS  23   6.942   4.512   4.512
  146   2HE   LYS  23           HE1      LYS  23   7.876   3.401   3.401
  147   1HZ   LYS  23           HZ3      LYS  23   5.719   3.833   3.833
  148   2HZ   LYS  23           HZ2      LYS  23   5.874   5.343   5.343
  149   3HZ   LYS  23           HZ1      LYS  23   7.169   4.704   4.704
  150    H    PHE  24           HN       PHE  24   1.911   0.619   0.619
  151    HA   PHE  24           HA       PHE  24   3.063  -1.939  -1.939
  152   1HB   PHE  24           HB2      PHE  24   0.658  -1.562  -1.562
  153   2HB   PHE  24           HB1      PHE  24   2.294  -1.742  -1.742
  154    HD1  PHE  24           HD2      PHE  24   3.790   0.437   0.437
  155    HD2  PHE  24           HD1      PHE  24  -0.491   0.377   0.377
  156    HE1  PHE  24           HE2      PHE  24   3.809   2.806   2.806
  157    HE2  PHE  24           HE1      PHE  24  -0.472   2.753   2.753
  158    HZ   PHE  24           HZ       PHE  24   1.689   3.952   3.952
  159    H    LYS  25           HN       LYS  25   1.528  -3.744  -3.744
  160    HA   LYS  25           HA       LYS  25  -0.525  -3.186  -3.186
  161   1HB   LYS  25           HB2      LYS  25   1.143  -5.662  -5.662
  162   2HB   LYS  25           HB1      LYS  25  -0.205  -5.627  -5.627
  163   1HG   LYS  25           HG2      LYS  25   1.472  -5.094  -5.094
  164   2HG   LYS  25           HG1      LYS  25   1.147  -3.468  -3.468
  165   1HD   LYS  25           HD2      LYS  25   2.883  -4.113  -4.113
  166   2HD   LYS  25           HD1      LYS  25   3.405  -5.322  -5.322
  167   1HE   LYS  25           HE2      LYS  25   4.669  -3.673  -3.673
  168   2HE   LYS  25           HE1      LYS  25   3.155  -3.042  -3.042
  169   1HZ   LYS  25           HZ1      LYS  25   4.308  -2.336  -2.336
  170   2HZ   LYS  25           HZ3      LYS  25   4.397  -1.369  -1.369
  171   3HZ   LYS  25           HZ2      LYS  25   2.889  -1.695  -1.695
  172    H    ILE  26           HN       ILE  26  -2.608  -3.966  -3.966
  173    HA   ILE  26           HA       ILE  26  -3.012  -5.079  -5.079
  174    HB   ILE  26           HB       ILE  26  -5.141  -3.816  -3.816
  175   1HG1  ILE  26          HG12      ILE  26  -2.889  -2.569  -2.569
  176   2HG1  ILE  26          HG11      ILE  26  -3.578  -2.077  -2.077
  177   1HG2  ILE  26          HG23      ILE  26  -5.571  -5.153  -5.153
  178   2HG2  ILE  26          HG22      ILE  26  -4.813  -3.793  -3.793
  179   3HG2  ILE  26          HG21      ILE  26  -6.282  -3.543  -3.543
  180   1HD1  ILE  26          HD13      ILE  26  -5.721  -1.819  -1.819
  181   2HD1  ILE  26          HD12      ILE  26  -4.367  -1.320  -1.320
  182   3HD1  ILE  26          HD11      ILE  26  -4.673  -0.499  -0.499
  183    H    HIS  27           HN       HIS  27  -4.454  -6.799  -6.799
  184    HA   HIS  27           HA       HIS  27  -5.288  -8.244  -8.244
  185   1HB   HIS  27           HB2      HIS  27  -4.419 -10.035 -10.035
  186   2HB   HIS  27           HB1      HIS  27  -4.005 -10.067 -10.067
  187    HD1  HIS  27           HD1      HIS  27  -2.416  -7.673  -7.673
  188    HD2  HIS  27           HD2      HIS  27  -2.080  -9.672  -9.672
  189    HE1  HIS  27           HE1      HIS  27  -0.240  -6.925  -6.925
  190    H    ALA  28           HN       ALA  28  -7.427  -8.563  -8.563
  191    HA   ALA  28           HA       ALA  28  -8.654  -8.858  -8.858
  192   1HB   ALA  28           HB1      ALA  28  -9.595  -7.825  -7.825
  193   2HB   ALA  28           HB3      ALA  28 -10.788  -8.606  -8.606
  194   3HB   ALA  28           HB2      ALA  28  -9.899  -7.200  -7.200
  195    H    VAL  29           HN       VAL  29  -9.753 -10.780 -10.780
  196    HA   VAL  29           HA       VAL  29 -10.020 -12.803 -12.803
  197    HB   VAL  29           HB       VAL  29  -8.528 -13.011 -13.011
  198   1HG1  VAL  29          HG13      VAL  29 -10.523 -14.414 -14.414
  199   2HG1  VAL  29          HG12      VAL  29 -10.253 -15.317 -15.317
  200   3HG1  VAL  29          HG11      VAL  29  -9.066 -15.390 -15.390
  201   1HG2  VAL  29          HG23      VAL  29  -8.543 -14.514 -14.514
  202   2HG2  VAL  29          HG22      VAL  29  -7.445 -13.212 -13.212
  203   3HG2  VAL  29          HG21      VAL  29  -7.365 -14.764 -14.764
  204    H    ASP  30           HN       ASP  30 -12.021 -13.621 -13.621
  205    HA   ASP  30           HA       ASP  30 -13.902 -13.045 -13.045
  206   1HB   ASP  30           HB2      ASP  30 -15.537 -12.613 -12.613
  207   2HB   ASP  30           HB1      ASP  30 -14.131 -12.149 -12.149
  208    HA   PRO  31           HA       PRO  31 -14.769 -17.332 -17.332
  209   1HB   PRO  31           HB2      PRO  31 -17.489 -17.607 -17.607
  210   2HB   PRO  31           HB1      PRO  31 -16.716 -16.883 -16.883
  211   1HG   PRO  31           HG2      PRO  31 -18.206 -15.548 -15.548
  212   2HG   PRO  31           HG1      PRO  31 -17.921 -14.995 -14.995
  213   1HD   PRO  31           HD2      PRO  31 -16.550 -14.126 -14.126
  214   2HD   PRO  31           HD1      PRO  31 -16.111 -13.751 -13.751
  215    H    ASP  32           HN       ASP  32 -14.543 -16.273 -16.273
  216    HA   ASP  32           HA       ASP  32 -15.696 -18.772 -18.772
  217   1HB   ASP  32           HB2      ASP  32 -15.222 -16.072 -16.072
  218   2HB   ASP  32           HB1      ASP  32 -15.814 -17.511 -17.511
  219    H    GLY  33           HN       GLY  33 -12.899 -17.661 -17.661
  220   1HA   GLY  33           HA2      GLY  33 -10.681 -18.358 -18.358
  221   2HA   GLY  33           HA1      GLY  33 -11.280 -19.316 -19.316
  222    H    VAL  34           HN       VAL  34 -12.022 -15.956 -15.956
  223    HA   VAL  34           HA       VAL  34 -10.123 -15.087 -15.087
  224    HB   VAL  34           HB       VAL  34 -12.989 -14.314 -14.314
  225   1HG1  VAL  34          HG12      VAL  34 -10.562 -14.776 -14.776
  226   2HG1  VAL  34          HG11      VAL  34 -12.171 -14.668 -14.668
  227   3HG1  VAL  34          HG13      VAL  34 -11.514 -13.304 -13.304
  228   1HG2  VAL  34          HG21      VAL  34 -11.840 -17.025 -17.025
  229   2HG2  VAL  34          HG23      VAL  34 -13.234 -16.702 -16.702
  230   3HG2  VAL  34          HG22      VAL  34 -13.321 -16.368 -16.368
  231    H    HIS  35           HN       HIS  35 -10.653 -12.589 -12.589
  232    HA   HIS  35           HA       HIS  35 -10.795 -11.396 -11.396
  233   1HB   HIS  35           HB2      HIS  35 -10.334  -9.875  -9.875
  234   2HB   HIS  35           HB1      HIS  35  -9.800  -9.462  -9.462
  235    HD1  HIS  35           HD1      HIS  35  -7.454 -10.154 -10.154
  236    HD2  HIS  35           HD2      HIS  35  -8.960 -12.336 -12.336
  237    HE1  HIS  35           HE1      HIS  35  -5.560 -11.618 -11.618
  238    H    ARG  36           HN       ARG  36 -13.120 -12.197 -12.197
  239    HA   ARG  36           HA       ARG  36 -15.401 -11.836 -11.836
  240   1HB   ARG  36           HB2      ARG  36 -16.124  -9.487  -9.487
  241   2HB   ARG  36           HB1      ARG  36 -14.960 -10.057 -10.057
  242   1HG   ARG  36           HG2      ARG  36 -13.182  -8.814  -8.814
  243   2HG   ARG  36           HG1      ARG  36 -14.142  -8.473  -8.473
  244   1HD   ARG  36           HD2      ARG  36 -14.681  -7.443  -7.443
  245   2HD   ARG  36           HD1      ARG  36 -14.127  -6.495  -6.495
  246    HE   ARG  36           HE       ARG  36 -16.389  -7.267  -7.267
  247   1HH1  ARG  36          HH11      ARG  36 -15.872  -5.399  -5.399
  248   2HH1  ARG  36          HH12      ARG  36 -17.456  -5.571  -5.571
  249   1HH2  ARG  36          HH21      ARG  36 -18.413  -8.076  -8.076
  250   2HH2  ARG  36          HH22      ARG  36 -18.896  -7.086  -7.086
  251    H    THR  37           HN       THR  37 -15.163 -12.652 -12.652
  252    HA   THR  37           HA       THR  37 -15.416 -12.420 -12.420
  253    HB   THR  37           HB       THR  37 -17.080  -9.990  -9.990
  254    HG1  THR  37           HG1      THR  37 -17.913 -10.744 -10.744
  255   1HG2  THR  37          HG23      THR  37 -16.898 -12.320 -12.320
  256   2HG2  THR  37          HG22      THR  37 -18.503 -12.262 -12.262
  257   3HG2  THR  37          HG21      THR  37 -17.913 -10.892 -10.892
  258    H    ASP  38           HN       ASP  38 -13.164 -11.669 -11.669
  259    HA   ASP  38           HA       ASP  38 -12.147  -9.105  -9.105
  260   1HB   ASP  38           HB2      ASP  38 -11.306 -11.400 -11.400
  261   2HB   ASP  38           HB1      ASP  38 -11.558 -10.328 -10.328
  262    H    GLY  39           HN       GLY  39 -11.864  -7.408  -7.408
  263   1HA   GLY  39           HA2      GLY  39 -12.685  -6.111  -6.111
  264   2HA   GLY  39           HA1      GLY  39 -13.987  -7.281  -7.281
  265    H    GLY  40           HN       GLY  40 -14.958  -7.270  -7.270
  266   1HA   GLY  40           HA2      GLY  40 -15.868  -4.434  -4.434
  267   2HA   GLY  40           HA1      GLY  40 -17.020  -5.768  -5.768
  268    H    ASP  41           HN       ASP  41 -13.880  -4.936  -4.936
  269    HA   ASP  41           HA       ASP  41 -14.913  -6.169  -6.169
  270   1HB   ASP  41           HB2      ASP  41 -12.155  -5.168  -5.168
  271   2HB   ASP  41           HB1      ASP  41 -12.548  -5.866  -5.866
  272    H    GLY  42           HN       GLY  42 -15.680  -4.876  -4.876
  273   1HA   GLY  42           HA2      GLY  42 -15.774  -2.001  -2.001
  274   2HA   GLY  42           HA1      GLY  42 -16.257  -2.892  -2.892
  275    H    PHE  43           HN       PHE  43 -13.244  -2.196  -2.196
  276    HA   PHE  43           HA       PHE  43 -11.811  -2.061  -2.061
  277   1HB   PHE  43           HB2      PHE  43 -11.180  -3.085  -3.085
  278   2HB   PHE  43           HB1      PHE  43 -10.096  -1.729  -1.729
  279    HD1  PHE  43           HD2      PHE  43  -9.810  -1.875  -1.875
  280    HD2  PHE  43           HD1      PHE  43  -9.826  -4.964  -4.964
  281    HE1  PHE  43           HE2      PHE  43  -8.409  -3.318  -3.318
  282    HE2  PHE  43           HE1      PHE  43  -8.414  -6.390  -6.390
  283    HZ   PHE  43           HZ       PHE  43  -7.715  -5.567  -5.567
  284    H    VAL  44           HN       VAL  44 -11.552  -0.070  -0.070
  285    HA   VAL  44           HA       VAL  44 -10.982   2.177   2.177
  286    HB   VAL  44           HB       VAL  44 -13.021   2.998   2.998
  287   1HG1  VAL  44          HG13      VAL  44 -12.806   0.913   0.913
  288   2HG1  VAL  44          HG12      VAL  44 -13.575   2.367   2.367
  289   3HG1  VAL  44          HG11      VAL  44 -14.235   1.560   1.560
  290   1HG2  VAL  44          HG21      VAL  44 -11.345   3.614   3.614
  291   2HG2  VAL  44          HG23      VAL  44 -11.438   4.581   4.581
  292   3HG2  VAL  44          HG22      VAL  44 -12.847   4.436   4.436
  293    H    VAL  45           HN       VAL  45  -8.907   2.713   2.713
  294    HA   VAL  45           HA       VAL  45  -7.868   2.580   2.580
  295    HB   VAL  45           HB       VAL  45  -6.125   2.374   2.374
  296   1HG1  VAL  45          HG13      VAL  45  -5.937   1.468   1.468
  297   2HG1  VAL  45          HG12      VAL  45  -4.758   1.028   1.028
  298   3HG1  VAL  45          HG11      VAL  45  -4.977   2.720   2.720
  299   1HG2  VAL  45          HG23      VAL  45  -8.170   0.515   0.515
  300   2HG2  VAL  45          HG22      VAL  45  -6.939   0.356   0.356
  301   3HG2  VAL  45          HG21      VAL  45  -6.616  -0.209  -0.209
  302    H    THR  46           HN       THR  46  -6.368   4.245   4.245
  303    HA   THR  46           HA       THR  46  -5.845   6.408   6.408
  304    HB   THR  46           HB       THR  46  -7.050   7.906   7.906
  305    HG1  THR  46           HG1      THR  46  -8.676   6.829   6.829
  306   1HG2  THR  46          HG21      THR  46  -7.716   7.061   7.061
  307   2HG2  THR  46          HG23      THR  46  -8.972   7.892   7.892
  308   3HG2  THR  46          HG22      THR  46  -7.416   8.676   8.676
  309    H    ILE  47           HN       ILE  47  -3.958   7.291   7.291
  310    HA   ILE  47           HA       ILE  47  -3.055   7.153   7.153
  311    HB   ILE  47           HB       ILE  47  -1.559   6.638   6.638
  312   1HG1  ILE  47          HG12      ILE  47  -2.143   5.260   5.260
  313   2HG1  ILE  47          HG11      ILE  47  -1.741   4.583   4.583
  314   1HG2  ILE  47          HG21      ILE  47  -0.327   7.700   7.700
  315   2HG2  ILE  47          HG23      ILE  47   0.582   7.056   7.056
  316   3HG2  ILE  47          HG22      ILE  47  -0.358   8.529   8.529
  317   1HD1  ILE  47          HD13      ILE  47   0.655   5.434   5.434
  318   2HD1  ILE  47          HD12      ILE  47   0.143   5.601   5.601
  319   3HD1  ILE  47          HD11      ILE  47   0.123   4.016   4.016
  320    H    GLU  48           HN       GLU  48  -1.697   8.950   8.950
  321    HA   GLU  48           HA       GLU  48  -1.183  11.096  11.096
  322   1HB   GLU  48           HB2      GLU  48  -2.871  12.560  12.560
  323   2HB   GLU  48           HB1      GLU  48  -3.180  12.157  12.157
  324   1HG   GLU  48           HG2      GLU  48  -4.572  10.368  10.368
  325   2HG   GLU  48           HG1      GLU  48  -3.836  10.141  10.141
  326    H    GLY  49           HN       GLY  49  -0.057  12.817  12.817
  327   1HA   GLY  49           HA2      GLY  49   0.495  12.813  12.813
  328   2HA   GLY  49           HA1      GLY  49   1.863  12.359  12.359
  329    HA   PRO  50           HA       PRO  50   1.689  16.982  16.982
  330   1HB   PRO  50           HB2      PRO  50   4.281  17.289  17.289
  331   2HB   PRO  50           HB1      PRO  50   2.891  17.120  17.120
  332   1HG   PRO  50           HG2      PRO  50   4.989  15.112  15.112
  333   2HG   PRO  50           HG1      PRO  50   4.027  15.264  15.264
  334   1HD   PRO  50           HD2      PRO  50   3.558  13.407  13.407
  335   2HD   PRO  50           HD1      PRO  50   2.406  13.842  13.842
  336    H    ALA  51           HN       ALA  51   1.660  16.230  16.230
  337    HA   ALA  51           HA       ALA  51   4.058  17.306  17.306
  338   1HB   ALA  51           HB1      ALA  51   3.953  14.554  14.554
  339   2HB   ALA  51           HB3      ALA  51   3.396  14.740  14.740
  340   3HB   ALA  51           HB2      ALA  51   4.969  15.374  15.374
  341    HA   PRO  52           HA       PRO  52   1.198  18.247  18.247
  342   1HB   PRO  52           HB2      PRO  52   2.594  17.678  17.678
  343   2HB   PRO  52           HB1      PRO  52   2.943  19.070  19.070
  344   1HG   PRO  52           HG2      PRO  52   4.463  16.522  16.522
  345   2HG   PRO  52           HG1      PRO  52   5.041  18.121  18.121
  346   1HD   PRO  52           HD2      PRO  52   4.511  15.951  15.951
  347   2HD   PRO  52           HD1      PRO  52   4.767  17.638  17.638
  348    H    VAL  53           HN       VAL  53   2.835  15.226  15.226
  349    HA   VAL  53           HA       VAL  53   0.295  14.237  14.237
  350    HB   VAL  53           HB       VAL  53   2.879  12.687  12.687
  351   1HG1  VAL  53          HG13      VAL  53   0.329  12.239  12.239
  352   2HG1  VAL  53          HG12      VAL  53   1.414  12.565  12.565
  353   3HG1  VAL  53          HG11      VAL  53   1.781  11.264  11.264
  354   1HG2  VAL  53          HG22      VAL  53   3.179  15.094  15.094
  355   2HG2  VAL  53          HG21      VAL  53   3.736  13.783  13.783
  356   3HG2  VAL  53          HG23      VAL  53   2.197  14.578  14.578
  357    H    ASP  54           HN       ASP  54  -0.664  14.218  14.218
  358    HA   ASP  54           HA       ASP  54   0.398  12.082  12.082
  359   1HB   ASP  54           HB2      ASP  54  -1.875  14.045  14.045
  360   2HB   ASP  54           HB1      ASP  54  -1.429  12.832  12.832
  361    HA   PRO  55           HA       PRO  55  -3.859  10.208  10.208
  362   1HB   PRO  55           HB2      PRO  55  -5.323  11.387  11.387
  363   2HB   PRO  55           HB1      PRO  55  -5.452  11.851  11.851
  364   1HG   PRO  55           HG2      PRO  55  -4.154  13.312  13.312
  365   2HG   PRO  55           HG1      PRO  55  -4.808  13.944  13.944
  366   1HD   PRO  55           HD2      PRO  55  -2.061  13.482  13.482
  367   2HD   PRO  55           HD1      PRO  55  -2.749  13.899  13.899
  368    H    VAL  56           HN       VAL  56  -2.564   8.510   8.510
  369    HA   VAL  56           HA       VAL  56  -2.640   8.578   8.578
  370    HB   VAL  56           HB       VAL  56  -0.388   7.464   7.464
  371   1HG1  VAL  56          HG13      VAL  56  -1.149   7.481   7.481
  372   2HG1  VAL  56          HG12      VAL  56   0.455   8.175   8.175
  373   3HG1  VAL  56          HG11      VAL  56   0.106   6.544   6.544
  374   1HG2  VAL  56          HG21      VAL  56  -1.008  10.230  10.230
  375   2HG2  VAL  56          HG23      VAL  56   0.272   9.608   9.608
  376   3HG2  VAL  56          HG22      VAL  56   0.528   9.719   9.719
  377    H    MET  57           HN       MET  57  -4.381   7.039   7.039
  378    HA   MET  57           HA       MET  57  -3.453   4.329   4.329
  379   1HB   MET  57           HB2      MET  57  -5.489   3.731   3.731
  380   2HB   MET  57           HB1      MET  57  -4.934   5.236   5.236
  381   1HG   MET  57           HG2      MET  57  -6.837   5.311   5.311
  382   2HG   MET  57           HG1      MET  57  -7.444   5.013   5.013
  383   1HE   MET  57           HE1      MET  57  -8.181   7.057   7.057
  384   2HE   MET  57           HE3      MET  57  -7.964   8.729   8.729
  385   3HE   MET  57           HE2      MET  57  -6.773   7.979   7.979
  386    H    VAL  58           HN       VAL  58  -3.938   2.790   2.790
  387    HA   VAL  58           HA       VAL  58  -5.865   3.522   3.522
  388    HB   VAL  58           HB       VAL  58  -3.570   1.898   1.898
  389   1HG1  VAL  58          HG12      VAL  58  -5.060   4.331   4.331
  390   2HG1  VAL  58          HG11      VAL  58  -3.678   3.640   3.640
  391   3HG1  VAL  58          HG13      VAL  58  -5.139   2.682   2.682
  392   1HG2  VAL  58          HG21      VAL  58  -2.477   3.511   3.511
  393   2HG2  VAL  58          HG23      VAL  58  -1.974   3.737   3.737
  394   3HG2  VAL  58          HG22      VAL  58  -3.147   4.837   4.837
  395    H    ASP  59           HN       ASP  59  -6.750   1.659   1.659
  396    HA   ASP  59           HA       ASP  59  -6.618  -0.855  -0.855
  397   1HB   ASP  59           HB2      ASP  59  -8.837  -0.073  -0.073
  398   2HB   ASP  59           HB1      ASP  59  -8.882   0.501   0.501
  399    H    ASN  60           HN       ASN  60  -5.828  -2.612  -2.612
  400    HA   ASN  60           HA       ASN  60  -5.234  -2.301  -2.301
  401   1HB   ASN  60           HB2      ASN  60  -4.042  -3.689  -3.689
  402   2HB   ASN  60           HB1      ASN  60  -4.552  -4.906  -4.906
  403   1HD2  ASN  60          HD22      ASN  60  -1.543  -4.202  -4.202
  404   2HD2  ASN  60          HD21      ASN  60  -2.441  -5.357  -5.357
  405    H    GLY  61           HN       GLY  61  -7.707  -3.771  -3.771
  406   1HA   GLY  61           HA2      GLY  61  -9.647  -4.830  -4.830
  407   2HA   GLY  61           HA1      GLY  61  -8.978  -4.722  -4.722
  408    H    ASP  62           HN       ASP  62  -6.844  -6.105  -6.105
  409    HA   ASP  62           HA       ASP  62  -7.515  -8.814  -8.814
  410   1HB   ASP  62           HB2      ASP  62  -5.190  -9.379  -9.379
  411   2HB   ASP  62           HB1      ASP  62  -5.275  -7.797  -7.797
  412    H    GLY  63           HN       GLY  63  -8.633  -7.520  -7.520
  413   1HA   GLY  63           HA2      GLY  63  -9.279  -8.398  -8.398
  414   2HA   GLY  63           HA1      GLY  63  -8.174  -9.745  -9.745
  415    H    THR  64           HN       THR  64  -6.364  -7.106  -7.106
  416    HA   THR  64           HA       THR  64  -5.588  -6.687  -6.687
  417    HB   THR  64           HB       THR  64  -3.198  -6.628  -6.628
  418    HG1  THR  64           HG1      THR  64  -3.069  -8.011  -8.011
  419   1HG2  THR  64          HG23      THR  64  -4.375  -8.581  -8.581
  420   2HG2  THR  64          HG22      THR  64  -4.505  -9.318  -9.318
  421   3HG2  THR  64          HG21      THR  64  -2.917  -8.969  -8.969
  422    H    TYR  65           HN       TYR  65  -4.708  -4.589  -4.589
  423    HA   TYR  65           HA       TYR  65  -4.988  -2.657  -2.657
  424   1HB   TYR  65           HB2      TYR  65  -5.807  -2.315  -2.315
  425   2HB   TYR  65           HB1      TYR  65  -5.789  -1.007  -1.007
  426    HD1  TYR  65           HD2      TYR  65  -6.950  -4.569  -4.569
  427    HD2  TYR  65           HD1      TYR  65  -7.775  -0.587  -0.587
  428    HE1  TYR  65           HE2      TYR  65  -9.091  -5.341  -5.341
  429    HE2  TYR  65           HE1      TYR  65  -9.923  -1.358  -1.358
  430    HH   TYR  65           HH       TYR  65 -11.558  -3.280  -3.280
  431    H    ASP  66           HN       ASP  66  -3.599  -0.753  -0.753
  432    HA   ASP  66           HA       ASP  66  -1.242  -1.163  -1.163
  433   1HB   ASP  66           HB2      ASP  66  -0.003  -0.049  -0.049
  434   2HB   ASP  66           HB1      ASP  66  -0.323  -1.783  -1.783
  435    H    VAL  67           HN       VAL  67  -0.685   0.621   0.621
  436    HA   VAL  67           HA       VAL  67  -1.744   3.240   3.240
  437    HB   VAL  67           HB       VAL  67  -2.315   3.835   3.835
  438   1HG1  VAL  67          HG12      VAL  67  -2.871   0.878   0.878
  439   2HG1  VAL  67          HG11      VAL  67  -3.680   1.888   1.888
  440   3HG1  VAL  67          HG13      VAL  67  -3.902   2.210   2.210
  441   1HG2  VAL  67          HG23      VAL  67  -0.330   1.774   1.774
  442   2HG2  VAL  67          HG22      VAL  67  -0.691   3.304   3.304
  443   3HG2  VAL  67          HG21      VAL  67  -1.713   1.894   1.894
  444    H    GLU  68           HN       GLU  68  -0.219   5.040   5.040
  445    HA   GLU  68           HA       GLU  68   2.410   4.387   4.387
  446   1HB   GLU  68           HB2      GLU  68   2.447   5.521   5.521
  447   2HB   GLU  68           HB1      GLU  68   3.685   4.589   4.589
  448   1HG   GLU  68           HG2      GLU  68   2.847   3.025   3.025
  449   2HG   GLU  68           HG1      GLU  68   1.893   2.661   2.661
  450    H    PHE  69           HN       PHE  69   3.216   6.142   6.142
  451    HA   PHE  69           HA       PHE  69   2.673   8.814   8.814
  452   1HB   PHE  69           HB2      PHE  69   2.230   9.851   9.851
  453   2HB   PHE  69           HB1      PHE  69   1.082   8.536   8.536
  454    HD1  PHE  69           HD1      PHE  69   2.198   6.143   6.143
  455    HD2  PHE  69           HD2      PHE  69   3.125  10.048  10.048
  456    HE1  PHE  69           HE1      PHE  69   2.988   5.142   5.142
  457    HE2  PHE  69           HE2      PHE  69   3.911   9.036   9.036
  458    HZ   PHE  69           HZ       PHE  69   3.821   6.568   6.568
  459    H    GLU  70           HN       GLU  70   4.437  10.364  10.364
  460    HA   GLU  70           HA       GLU  70   6.795   9.169   9.169
  461   1HB   GLU  70           HB2      GLU  70   8.235   9.477   9.477
  462   2HB   GLU  70           HB1      GLU  70   6.891   8.407   8.407
  463   1HG   GLU  70           HG2      GLU  70   6.346   9.786   9.786
  464   2HG   GLU  70           HG1      GLU  70   5.984  11.041  11.041
  465    HA   PRO  71           HA       PRO  71   6.629  13.655  13.655
  466   1HB   PRO  71           HB2      PRO  71   7.463  13.393  13.393
  467   2HB   PRO  71           HB1      PRO  71   5.773  13.225  13.225
  468   1HG   PRO  71           HG2      PRO  71   7.703  11.107  11.107
  469   2HG   PRO  71           HG1      PRO  71   5.935  11.099  11.099
  470   1HD   PRO  71           HD2      PRO  71   7.546   9.815   9.815
  471   2HD   PRO  71           HD1      PRO  71   5.786  10.042  10.042
  472    H    LYS  72           HN       LYS  72   8.432  15.060  15.060
  473    HA   LYS  72           HA       LYS  72  11.170  13.940  13.940
  474   1HB   LYS  72           HB2      LYS  72  10.804  16.755  16.755
  475   2HB   LYS  72           HB1      LYS  72  11.754  15.482  15.482
  476   1HG   LYS  72           HG2      LYS  72   9.667  14.494  14.494
  477   2HG   LYS  72           HG1      LYS  72   8.743  15.813  15.813
  478   1HD   LYS  72           HD2      LYS  72  11.006  16.783  16.783
  479   2HD   LYS  72           HD1      LYS  72   9.881  15.822  15.822
  480   1HE   LYS  72           HE2      LYS  72   8.313  17.492  17.492
  481   2HE   LYS  72           HE1      LYS  72   9.559  18.510  18.510
  482   1HZ   LYS  72           HZ2      LYS  72   8.067  16.592  16.592
  483   2HZ   LYS  72           HZ1      LYS  72   7.385  18.101  18.101
  484   3HZ   LYS  72           HZ3      LYS  72   8.856  18.024  18.024
  485    H    GLU  73           HN       GLU  73   9.657  14.600  14.600
  486    HA   GLU  73           HA       GLU  73  11.749  16.284  16.284
  487   1HB   GLU  73           HB2      GLU  73  10.152  17.854  17.854
  488   2HB   GLU  73           HB1      GLU  73   9.980  17.890  17.890
  489   1HG   GLU  73           HG2      GLU  73   7.925  16.846  16.846
  490   2HG   GLU  73           HG1      GLU  73   8.292  15.940  15.940
  491    H    ALA  74           HN       ALA  74  10.421  16.599  16.599
  492    HA   ALA  74           HA       ALA  74  10.394  13.790  13.790
  493   1HB   ALA  74           HB2      ALA  74  10.253  16.398  16.398
  494   2HB   ALA  74           HB1      ALA  74  10.390  14.790  14.790
  495   3HB   ALA  74           HB3      ALA  74  11.710  15.441  15.441
  496    H    GLY  75           HN       GLY  75   8.433  12.769  12.769
  497   1HA   GLY  75           HA2      GLY  75   6.052  14.298  14.298
  498   2HA   GLY  75           HA1      GLY  75   6.038  13.724  13.724
  499    H    ASP  76           HN       ASP  76   4.143  12.918  12.918
  500    HA   ASP  76           HA       ASP  76   4.868  10.057  10.057
  501   1HB   ASP  76           HB2      ASP  76   2.831  10.180  10.180
  502   2HB   ASP  76           HB1      ASP  76   4.253  11.079  11.079
  503    H    TYR  77           HN       TYR  77   3.147   8.527   8.527
  504    HA   TYR  77           HA       TYR  77   1.497   9.536   9.536
  505   1HB   TYR  77           HB2      TYR  77   2.212   6.658   6.658
  506   2HB   TYR  77           HB1      TYR  77   1.633   7.392   7.392
  507    HD1  TYR  77           HD1      TYR  77   3.433   9.915   9.915
  508    HD2  TYR  77           HD2      TYR  77   4.154   5.691   5.691
  509    HE1  TYR  77           HE1      TYR  77   5.746  10.291  10.291
  510    HE2  TYR  77           HE2      TYR  77   6.462   6.054   6.054
  511    HH   TYR  77           HH       TYR  77   7.730   9.353   9.353
  512    H    VAL  78           HN       VAL  78  -0.615   9.137   9.137
  513    HA   VAL  78           HA       VAL  78  -1.782   7.518   7.518
  514    HB   VAL  78           HB       VAL  78  -2.591   9.678   9.678
  515   1HG1  VAL  78          HG13      VAL  78  -2.599   9.919   9.919
  516   2HG1  VAL  78          HG12      VAL  78  -3.574  11.014  11.014
  517   3HG1  VAL  78          HG11      VAL  78  -1.825  10.963  10.963
  518   1HG2  VAL  78          HG22      VAL  78  -4.326   7.720   7.720
  519   2HG2  VAL  78          HG21      VAL  78  -4.786   9.160   9.160
  520   3HG2  VAL  78          HG23      VAL  78  -4.843   9.174   9.174
  521    H    ILE  79           HN       ILE  79  -2.800   5.765   5.765
  522    HA   ILE  79           HA       ILE  79  -3.236   5.596   5.596
  523    HB   ILE  79           HB       ILE  79  -3.408   3.046   3.046
  524   1HG1  ILE  79          HG12      ILE  79  -0.928   4.733   4.733
  525   2HG1  ILE  79          HG11      ILE  79  -1.916   3.939   3.939
  526   1HG2  ILE  79          HG22      ILE  79  -2.975   3.507   3.507
  527   2HG2  ILE  79          HG21      ILE  79  -1.382   4.119   4.119
  528   3HG2  ILE  79          HG23      ILE  79  -1.791   2.427   2.427
  529   1HD1  ILE  79          HD12      ILE  79  -1.215   1.872   1.872
  530   2HD1  ILE  79          HD11      ILE  79   0.251   2.844   2.844
  531   3HD1  ILE  79          HD13      ILE  79  -0.495   2.191   2.191
  532    H    ASN  80           HN       ASN  80  -4.916   4.383   4.383
  533    HA   ASN  80           HA       ASN  80  -7.263   3.882   3.882
  534   1HB   ASN  80           HB2      ASN  80  -7.601   5.565   5.565
  535   2HB   ASN  80           HB1      ASN  80  -8.704   5.352   5.352
  536   1HD2  ASN  80          HD22      ASN  80  -7.345   7.998   7.998
  537   2HD2  ASN  80          HD21      ASN  80  -8.543   6.802   6.802
  538    H    LEU  81           HN       LEU  81  -7.675   1.847   1.847
  539    HA   LEU  81           HA       LEU  81  -7.733   1.174   1.174
  540   1HB   LEU  81           HB2      LEU  81  -5.597   0.312   0.312
  541   2HB   LEU  81           HB1      LEU  81  -6.362  -0.379  -0.379
  542    HG   LEU  81           HG       LEU  81  -5.788  -1.886  -1.886
  543   1HD1  LEU  81          HD11      LEU  81  -7.209  -2.208  -2.208
  544   2HD1  LEU  81          HD13      LEU  81  -8.527  -2.339  -2.339
  545   3HD1  LEU  81          HD12      LEU  81  -7.155  -3.443  -3.443
  546   1HD2  LEU  81          HD22      LEU  81  -7.501  -0.176  -0.176
  547   2HD2  LEU  81          HD21      LEU  81  -7.235  -1.836  -1.836
  548   3HD2  LEU  81          HD23      LEU  81  -8.617  -1.441  -1.441
  549    H    THR  82           HN       THR  82  -9.781   0.495   0.495
  550    HA   THR  82           HA       THR  82 -11.130  -1.002  -1.002
  551    HB   THR  82           HB       THR  82 -13.224   0.283   0.283
  552    HG1  THR  82           HG1      THR  82 -11.443   1.200   1.200
  553   1HG2  THR  82          HG23      THR  82 -11.068   1.026   1.026
  554   2HG2  THR  82          HG22      THR  82 -12.036   2.398   2.398
  555   3HG2  THR  82          HG21      THR  82 -12.812   1.028   1.028
  556    H    LEU  83           HN       LEU  83 -12.256  -2.773  -2.773
  557    HA   LEU  83           HA       LEU  83 -13.085  -3.114  -3.114
  558   1HB   LEU  83           HB2      LEU  83 -10.862  -4.278  -4.278
  559   2HB   LEU  83           HB1      LEU  83 -11.683  -5.342  -5.342
  560    HG   LEU  83           HG       LEU  83 -11.438  -6.110  -6.110
  561   1HD1  LEU  83          HD12      LEU  83 -12.919  -7.047  -7.047
  562   2HD1  LEU  83          HD11      LEU  83 -14.246  -6.230  -6.230
  563   3HD1  LEU  83          HD13      LEU  83 -13.328  -7.484  -7.484
  564   1HD2  LEU  83          HD22      LEU  83 -12.469  -3.835  -3.835
  565   2HD2  LEU  83          HD21      LEU  83 -13.060  -5.299  -5.299
  566   3HD2  LEU  83          HD23      LEU  83 -14.012  -4.537  -4.537
  567    H    ASP  84           HN       ASP  84 -15.136  -2.601  -2.601
  568    HA   ASP  84           HA       ASP  84 -17.099  -4.327  -4.327
  569   1HB   ASP  84           HB2      ASP  84 -15.363  -4.979  -4.979
  570   2HB   ASP  84           HB1      ASP  84 -17.112  -5.158  -5.158
  571    H    GLY  85           HN       GLY  85 -15.412  -1.889  -1.889
  572   1HA   GLY  85           HA2      GLY  85 -16.922   0.190   0.190
  573   2HA   GLY  85           HA1      GLY  85 -17.968  -0.880  -0.880
  574    H    ASP  86           HN       ASP  86 -14.790  -1.828  -1.828
  575    HA   ASP  86           HA       ASP  86 -14.539   0.072   0.072
  576   1HB   ASP  86           HB2      ASP  86 -14.993  -2.783  -2.783
  577   2HB   ASP  86           HB1      ASP  86 -13.412  -2.407  -2.407
  578    H    ASN  87           HN       ASN  87 -12.144  -0.215  -0.215
  579    HA   ASN  87           HA       ASN  87 -10.390  -0.280  -0.280
  580   1HB   ASN  87           HB2      ASN  87  -9.833   0.910   0.910
  581   2HB   ASN  87           HB1      ASN  87  -8.833   1.086   1.086
  582   1HD2  ASN  87          HD22      ASN  87 -10.831   3.648   3.648
  583   2HD2  ASN  87          HD21      ASN  87  -9.500   2.617   2.617
  584    H    VAL  88           HN       VAL  88  -8.313  -1.382  -1.382
  585    HA   VAL  88           HA       VAL  88  -8.501  -3.893  -3.893
  586    HB   VAL  88           HB       VAL  88  -6.356  -2.469  -2.469
  587   1HG1  VAL  88          HG12      VAL  88  -5.181  -3.526  -3.526
  588   2HG1  VAL  88          HG11      VAL  88  -5.914  -5.069  -5.069
  589   3HG1  VAL  88          HG13      VAL  88  -4.776  -4.292  -4.292
  590   1HG2  VAL  88          HG22      VAL  88  -8.213  -3.842  -3.842
  591   2HG2  VAL  88          HG21      VAL  88  -6.590  -4.388  -4.388
  592   3HG2  VAL  88          HG23      VAL  88  -7.522  -5.251  -5.251
  593    H    ASN  89           HN       ASN  89  -6.629  -4.589  -4.589
  594    HA   ASN  89           HA       ASN  89  -6.807  -2.757  -2.757
  595   1HB   ASN  89           HB2      ASN  89  -6.995  -5.217  -5.217
  596   2HB   ASN  89           HB1      ASN  89  -5.310  -5.377  -5.377
  597   1HD2  ASN  89          HD22      ASN  89  -6.005  -3.471  -3.471
  598   2HD2  ASN  89          HD21      ASN  89  -7.087  -3.226  -3.226
  599    H    GLY  90           HN       GLY  90  -5.050  -2.057  -2.057
  600   1HA   GLY  90           HA2      GLY  90  -2.783  -1.108  -1.108
  601   2HA   GLY  90           HA1      GLY  90  -2.362  -2.119  -2.119
  602    H    PHE  91           HN       PHE  91  -5.161  -0.152  -0.152
  603    HA   PHE  91           HA       PHE  91  -3.579   1.621   1.621
  604   1HB   PHE  91           HB2      PHE  91  -6.132   0.223   0.223
  605   2HB   PHE  91           HB1      PHE  91  -6.116   1.886   1.886
  606    HD1  PHE  91           HD2      PHE  91  -4.581   2.571   2.571
  607    HD2  PHE  91           HD1      PHE  91  -4.638  -1.449  -1.449
  608    HE1  PHE  91           HE2      PHE  91  -3.195   1.879   1.879
  609    HE2  PHE  91           HE1      PHE  91  -3.244  -2.161  -2.161
  610    HZ   PHE  91           HZ       PHE  91  -2.530  -0.511  -0.511
  611    HA   PRO  92           HA       PRO  92  -6.616   4.636   4.636
  612   1HB   PRO  92           HB2      PRO  92  -7.869   3.881   3.881
  613   2HB   PRO  92           HB1      PRO  92  -8.603   3.740   3.740
  614   1HG   PRO  92           HG2      PRO  92  -7.457   1.602   1.602
  615   2HG   PRO  92           HG1      PRO  92  -8.717   1.488   1.488
  616   1HD   PRO  92           HD2      PRO  92  -6.034   0.714   0.714
  617   2HD   PRO  92           HD1      PRO  92  -7.187   0.957   0.957
  618    H    LYS  93           HN       LYS  93  -4.024   3.074   3.074
  619    HA   LYS  93           HA       LYS  93  -3.548   4.592   4.592
  620   1HB   LYS  93           HB2      LYS  93  -3.036   2.047   2.047
  621   2HB   LYS  93           HB1      LYS  93  -1.656   2.595   2.595
  622   1HG   LYS  93           HG2      LYS  93  -0.616   3.596   3.596
  623   2HG   LYS  93           HG1      LYS  93  -2.136   3.851   3.851
  624   1HD   LYS  93           HD2      LYS  93  -2.145   1.163   1.163
  625   2HD   LYS  93           HD1      LYS  93  -0.402   1.432   1.432
  626   1HE   LYS  93           HE2      LYS  93  -1.129   3.199   3.199
  627   2HE   LYS  93           HE1      LYS  93  -2.345   1.945   1.945
  628   1HZ   LYS  93           HZ3      LYS  93   0.143   0.724   0.724
  629   2HZ   LYS  93           HZ2      LYS  93   0.333   1.913   1.913
  630   3HZ   LYS  93           HZ1      LYS  93  -0.826   0.687   0.687
  631    H    THR  94           HN       THR  94  -1.131   5.343   5.343
  632    HA   THR  94           HA       THR  94  -0.561   6.642   6.642
  633    HB   THR  94           HB       THR  94  -0.212   7.872   7.872
  634    HG1  THR  94           HG1      THR  94  -2.423   7.488   7.488
  635   1HG2  THR  94          HG22      THR  94   0.983   8.466   8.466
  636   2HG2  THR  94          HG21      THR  94  -0.343   9.623   9.623
  637   3HG2  THR  94          HG23      THR  94   0.875   9.538   9.538
  638    H    VAL  95           HN       VAL  95   1.445   6.352   6.352
  639    HA   VAL  95           HA       VAL  95   3.390   5.159   5.159
  640    HB   VAL  95           HB       VAL  95   3.220   5.132   5.132
  641   1HG1  VAL  95          HG12      VAL  95   5.579   5.770   5.770
  642   2HG1  VAL  95          HG11      VAL  95   5.630   4.155   4.155
  643   3HG1  VAL  95          HG13      VAL  95   5.449   4.357   4.357
  644   1HG2  VAL  95          HG22      VAL  95   2.505   3.358   3.358
  645   2HG2  VAL  95          HG21      VAL  95   2.746   2.948   2.948
  646   3HG2  VAL  95          HG23      VAL  95   4.067   2.750   2.750
  647    H    THR  96           HN       THR  96   5.625   6.102   6.102
  648    HA   THR  96           HA       THR  96   5.477   8.999   8.999
  649    HB   THR  96           HB       THR  96   6.812   7.682   7.682
  650    HG1  THR  96           HG1      THR  96   4.736   7.893   7.893
  651   1HG2  THR  96          HG23      THR  96   6.831  10.513  10.513
  652   2HG2  THR  96          HG22      THR  96   7.117  10.152  10.152
  653   3HG2  THR  96          HG21      THR  96   8.205   9.512   9.512
  654    H    VAL  97           HN       VAL  97   7.102   9.953   9.953
  655    HA   VAL  97           HA       VAL  97   9.668   8.494   8.494
  656    HB   VAL  97           HB       VAL  97   7.888   9.904   9.904
  657   1HG1  VAL  97          HG12      VAL  97  10.900   9.747   9.747
  658   2HG1  VAL  97          HG11      VAL  97   9.898  10.040  10.040
  659   3HG1  VAL  97          HG13      VAL  97   9.903  11.203  11.203
  660   1HG2  VAL  97          HG22      VAL  97   9.511   7.392   7.392
  661   2HG2  VAL  97          HG21      VAL  97   7.837   7.594   7.594
  662   3HG2  VAL  97          HG23      VAL  97   9.152   8.081   8.081
  663    H    LYS  98           HN       LYS  98  11.417   9.744   9.744
  664    HA   LYS  98           HA       LYS  98  10.822  12.625  12.625
  665   1HB   LYS  98           HB2      LYS  98  12.062  10.544  10.544
  666   2HB   LYS  98           HB1      LYS  98  12.852  12.121  12.121
  667   1HG   LYS  98           HG2      LYS  98  11.261  12.634  12.634
  668   2HG   LYS  98           HG1      LYS  98  10.211  12.834  12.834
  669   1HD   LYS  98           HD2      LYS  98   8.918  11.283  11.283
  670   2HD   LYS  98           HD1      LYS  98  10.054  10.139  10.139
  671   1HE   LYS  98           HE2      LYS  98  11.480  10.582  10.582
  672   2HE   LYS  98           HE1      LYS  98   9.973  11.202  11.202
  673   1HZ   LYS  98           HZ3      LYS  98  10.246   8.528   8.528
  674   2HZ   LYS  98           HZ2      LYS  98  10.363   8.803   8.803
  675   3HZ   LYS  98           HZ1      LYS  98   8.909   9.126   9.126
  676    HA   PRO  99           HA       PRO  99  15.386  12.837  12.837
  677   1HB   PRO  99           HB2      PRO  99  16.795  10.513  10.513
  678   2HB   PRO  99           HB1      PRO  99  16.688  11.339  11.339
  679   1HG   PRO  99           HG2      PRO  99  15.284   8.866   8.866
  680   2HG   PRO  99           HG1      PRO  99  15.787   9.328   9.328
  681   1HD   PRO  99           HD2      PRO  99  13.173   9.505   9.505
  682   2HD   PRO  99           HD1      PRO  99  13.799  10.377  10.377
  683    H    ALA 100           HN       ALA 100  13.964  13.338  13.338
  684    HA   ALA 100           HA       ALA 100  13.931  11.399  11.399
  685   1HB   ALA 100           HB3      ALA 100  12.442  13.633  13.633
  686   2HB   ALA 100           HB2      ALA 100  13.535  14.237  14.237
  687   3HB   ALA 100           HB1      ALA 100  12.509  12.845  12.845

  Start of MODEL    7
    1   1H    ALA   1           HT2      ALA   1 -18.237 -11.398 -11.398
    2   2H    ALA   1           HT1      ALA   1 -19.455 -11.167 -11.167
    3   3H    ALA   1           HT3      ALA   1 -18.452 -12.533 -12.533
    4    HA   ALA   1           HA       ALA   1 -17.570 -11.146 -11.146
    5   1HB   ALA   1           HB1      ALA   1 -18.931  -9.173  -9.173
    6   2HB   ALA   1           HB3      ALA   1 -17.829  -8.876  -8.876
    7   3HB   ALA   1           HB2      ALA   1 -17.255  -8.739  -8.739
    8    H    ASP   2           HN       ASP   2 -15.576  -9.172  -9.172
    9    HA   ASP   2           HA       ASP   2 -13.671 -11.058 -11.058
   10   1HB   ASP   2           HB2      ASP   2 -13.045 -10.621 -10.621
   11   2HB   ASP   2           HB1      ASP   2 -13.233  -8.885  -8.885
   12    HA   PRO   3           HA       PRO   3 -13.821  -6.990  -6.990
   13   1HB   PRO   3           HB2      PRO   3 -15.606  -7.612  -7.612
   14   2HB   PRO   3           HB1      PRO   3 -16.077  -6.770  -6.770
   15   1HG   PRO   3           HG2      PRO   3 -16.544  -9.617  -9.617
   16   2HG   PRO   3           HG1      PRO   3 -17.506  -8.569  -8.569
   17   1HD   PRO   3           HD2      PRO   3 -15.722 -10.562 -10.562
   18   2HD   PRO   3           HD1      PRO   3 -16.373  -9.230  -9.230
   19    H    GLU   4           HN       GLU   4 -13.275 -10.254 -10.254
   20    HA   GLU   4           HA       GLU   4 -11.823  -9.962  -9.962
   21   1HB   GLU   4           HB2      GLU   4 -13.973 -11.688 -11.688
   22   2HB   GLU   4           HB1      GLU   4 -12.523 -12.674 -12.674
   23   1HG   GLU   4           HG2      GLU   4 -12.164 -11.945 -11.945
   24   2HG   GLU   4           HG1      GLU   4 -13.279 -10.590 -10.590
   25    H    LYS   5           HN       LYS   5 -11.262 -10.180 -10.180
   26    HA   LYS   5           HA       LYS   5  -8.770 -11.714 -11.714
   27   1HB   LYS   5           HB2      LYS   5 -11.061 -12.671 -12.671
   28   2HB   LYS   5           HB1      LYS   5  -9.613 -12.545 -12.545
   29   1HG   LYS   5           HG2      LYS   5  -8.434 -14.096 -14.096
   30   2HG   LYS   5           HG1      LYS   5  -9.383 -13.782 -13.782
   31   1HD   LYS   5           HD2      LYS   5 -10.963 -14.827 -14.827
   32   2HD   LYS   5           HD1      LYS   5  -9.739 -15.948 -15.948
   33   1HE   LYS   5           HE2      LYS   5 -10.904 -14.824 -14.824
   34   2HE   LYS   5           HE1      LYS   5 -12.252 -15.179 -15.179
   35   1HZ   LYS   5           HZ3      LYS   5 -11.062 -17.412 -17.412
   36   2HZ   LYS   5           HZ2      LYS   5 -10.238 -17.022 -17.022
   37   3HZ   LYS   5           HZ1      LYS   5 -11.931 -17.162 -17.162
   38    H    SER   6           HN       SER   6  -9.403  -8.940  -8.940
   39    HA   SER   6           HA       SER   6  -8.253  -8.400  -8.400
   40   1HB   SER   6           HB2      SER   6  -9.820  -6.576  -6.576
   41   2HB   SER   6           HB1      SER   6  -9.167  -6.120  -6.120
   42    HG   SER   6           HG       SER   6 -10.764  -7.098  -7.098
   43    H    TYR   7           HN       TYR   7  -6.105  -8.026  -8.026
   44    HA   TYR   7           HA       TYR   7  -5.200  -6.266  -6.266
   45   1HB   TYR   7           HB2      TYR   7  -3.054  -7.896  -7.896
   46   2HB   TYR   7           HB1      TYR   7  -4.366  -8.171  -8.171
   47    HD1  TYR   7           HD2      TYR   7  -3.418  -8.921  -8.921
   48    HD2  TYR   7           HD1      TYR   7  -5.470 -10.225 -10.225
   49    HE1  TYR   7           HE2      TYR   7  -3.914 -11.095 -11.095
   50    HE2  TYR   7           HE1      TYR   7  -5.967 -12.398 -12.398
   51    HH   TYR   7           HH       TYR   7  -4.418 -13.488 -13.488
   52    H    ALA   8           HN       ALA   8  -3.551  -4.861  -4.861
   53    HA   ALA   8           HA       ALA   8  -2.559  -4.975  -4.975
   54   1HB   ALA   8           HB1      ALA   8  -4.058  -2.947  -2.947
   55   2HB   ALA   8           HB3      ALA   8  -2.402  -2.369  -2.369
   56   3HB   ALA   8           HB2      ALA   8  -3.025  -2.777  -2.777
   57    H    GLU   9           HN       GLU   9  -0.370  -5.247  -5.247
   58    HA   GLU   9           HA       GLU   9   1.284  -4.187  -4.187
   59   1HB   GLU   9           HB2      GLU   9   2.617  -6.469  -6.469
   60   2HB   GLU   9           HB1      GLU   9   1.266  -6.370  -6.370
   61   1HG   GLU   9           HG2      GLU   9  -0.040  -7.724  -7.724
   62   2HG   GLU   9           HG1      GLU   9   0.450  -6.939  -6.939
   63    H    GLY  10           HN       GLY  10   3.290  -3.466  -3.466
   64   1HA   GLY  10           HA2      GLY  10   4.433  -4.218  -4.218
   65   2HA   GLY  10           HA1      GLY  10   3.777  -2.586  -2.586
   66    HA   PRO  11           HA       PRO  11   8.063  -2.490  -2.490
   67   1HB   PRO  11           HB2      PRO  11   9.354  -1.421  -1.421
   68   2HB   PRO  11           HB1      PRO  11   9.251  -3.164  -3.164
   69   1HG   PRO  11           HG2      PRO  11   7.773  -1.521  -1.521
   70   2HG   PRO  11           HG1      PRO  11   8.202  -3.239  -3.239
   71   1HD   PRO  11           HD2      PRO  11   5.655  -2.196  -2.196
   72   2HD   PRO  11           HD1      PRO  11   6.196  -3.864  -3.864
   73    H    GLY  12           HN       GLY  12   5.572  -0.649  -0.649
   74   1HA   GLY  12           HA2      GLY  12   6.910   1.956   1.956
   75   2HA   GLY  12           HA1      GLY  12   5.469   1.772   1.772
   76    H    LEU  13           HN       LEU  13   5.624   3.434   3.434
   77    HA   LEU  13           HA       LEU  13   3.965   3.942   3.942
   78   1HB   LEU  13           HB2      LEU  13   2.086   2.734   2.734
   79   2HB   LEU  13           HB1      LEU  13   2.782   1.871   1.871
   80    HG   LEU  13           HG       LEU  13   3.767   0.624   0.624
   81   1HD1  LEU  13          HD12      LEU  13   0.820   1.245   1.245
   82   2HD1  LEU  13          HD11      LEU  13   1.528  -0.100  -0.100
   83   3HD1  LEU  13          HD13      LEU  13   2.000   1.556   1.556
   84   1HD2  LEU  13          HD21      LEU  13   2.374  -0.022  -0.022
   85   2HD2  LEU  13          HD23      LEU  13   3.414  -1.050  -1.050
   86   3HD2  LEU  13          HD22      LEU  13   1.693  -0.928  -0.928
   87    H    ASP  14           HN       ASP  14   6.472   1.790   1.790
   88    HA   ASP  14           HA       ASP  14   6.320   0.971   0.971
   89   1HB   ASP  14           HB2      ASP  14   8.856   1.494   1.494
   90   2HB   ASP  14           HB1      ASP  14   8.589   0.318   0.318
   91    H    GLY  15           HN       GLY  15   7.015   3.861   3.861
   92   1HA   GLY  15           HA2      GLY  15   7.335   6.032   6.032
   93   2HA   GLY  15           HA1      GLY  15   7.399   5.324   5.324
   94    H    GLY  16           HN       GLY  16   9.233   5.879   5.879
   95   1HA   GLY  16           HA2      GLY  16  11.538   6.095   6.095
   96   2HA   GLY  16           HA1      GLY  16  11.761   4.925   4.925
   97    H    GLU  17           HN       GLU  17  11.226   6.047   6.047
   98    HA   GLU  17           HA       GLU  17  12.589   8.708   8.708
   99   1HB   GLU  17           HB2      GLU  17  13.107   6.345   6.345
  100   2HB   GLU  17           HB1      GLU  17  13.620   7.962   7.962
  101   1HG   GLU  17           HG2      GLU  17  15.506   7.390   7.390
  102   2HG   GLU  17           HG1      GLU  17  14.526   7.856   7.856
  103    H    CYS  18           HN       CYS  18  11.866  10.222  10.222
  104    HA   CYS  18           HA       CYS  18   9.310   9.738   9.738
  105   1HB   CYS  18           HB2      CYS  18  10.852  12.180  12.180
  106   2HB   CYS  18           HB1      CYS  18   9.797  12.292  12.292
  107    HG   CYS  18           HG       CYS  18   7.817  11.415  11.415
  108    H    PHE  19           HN       PHE  19  12.665   9.978   9.978
  109    HA   PHE  19           HA       PHE  19  12.169  10.702  10.702
  110   1HB   PHE  19           HB2      PHE  19  14.670  10.162  10.162
  111   2HB   PHE  19           HB1      PHE  19  14.701  10.377  10.377
  112    HD1  PHE  19           HD2      PHE  19  13.400  12.418  12.418
  113    HD2  PHE  19           HD1      PHE  19  14.677  12.045  12.045
  114    HE1  PHE  19           HE2      PHE  19  13.147  14.862  14.862
  115    HE2  PHE  19           HE1      PHE  19  14.425  14.490  14.490
  116    HZ   PHE  19           HZ       PHE  19  13.642  15.880  15.880
  117    H    GLN  20           HN       GLN  20  11.577   7.992   7.992
  118    HA   GLN  20           HA       GLN  20  12.794   6.222   6.222
  119   1HB   GLN  20           HB2      GLN  20  12.153   4.373   4.373
  120   2HB   GLN  20           HB1      GLN  20  12.863   5.586   5.586
  121   1HG   GLN  20           HG2      GLN  20  10.624   6.405   6.405
  122   2HG   GLN  20           HG1      GLN  20   9.894   5.231   5.231
  123   1HE2  GLN  20          HE22      GLN  20  11.932   3.223   3.223
  124   2HE2  GLN  20          HE21      GLN  20  12.739   4.226   4.226
  125    HA   PRO  21           HA       PRO  21   8.985   6.280   6.280
  126   1HB   PRO  21           HB2      PRO  21   9.009   3.755   3.755
  127   2HB   PRO  21           HB1      PRO  21   9.983   5.107   5.107
  128   1HG   PRO  21           HG2      PRO  21  10.843   2.751   2.751
  129   2HG   PRO  21           HG1      PRO  21  11.766   3.696   3.696
  130   1HD   PRO  21           HD2      PRO  21  11.994   3.955   3.955
  131   2HD   PRO  21           HD1      PRO  21  12.514   5.177   5.177
  132    H    SER  22           HN       SER  22   6.899   5.989   5.989
  133    HA   SER  22           HA       SER  22   6.565   3.808   3.808
  134   1HB   SER  22           HB2      SER  22   5.951   6.485   6.485
  135   2HB   SER  22           HB1      SER  22   4.405   5.722   5.722
  136    HG   SER  22           HG       SER  22   5.098   4.225   4.225
  137    H    LYS  23           HN       LYS  23   5.755   1.989   1.989
  138    HA   LYS  23           HA       LYS  23   3.293   2.283   2.283
  139   1HB   LYS  23           HB2      LYS  23   5.515   0.594   0.594
  140   2HB   LYS  23           HB1      LYS  23   4.115   1.265   1.265
  141   1HG   LYS  23           HG2      LYS  23   5.031   3.515   3.515
  142   2HG   LYS  23           HG1      LYS  23   6.392   2.917   2.917
  143   1HD   LYS  23           HD2      LYS  23   5.778   1.927   1.927
  144   2HD   LYS  23           HD1      LYS  23   6.865   3.279   3.279
  145   1HE   LYS  23           HE2      LYS  23   8.465   1.667   1.667
  146   2HE   LYS  23           HE1      LYS  23   7.812   1.415   1.415
  147   1HZ   LYS  23           HZ1      LYS  23   6.318   0.057   0.057
  148   2HZ   LYS  23           HZ3      LYS  23   7.936  -0.452  -0.452
  149   3HZ   LYS  23           HZ2      LYS  23   6.962  -0.541  -0.541
  150    H    PHE  24           HN       PHE  24   1.941   0.612   0.612
  151    HA   PHE  24           HA       PHE  24   3.026  -1.961  -1.961
  152   1HB   PHE  24           HB2      PHE  24   0.642  -1.497  -1.497
  153   2HB   PHE  24           HB1      PHE  24   2.278  -1.702  -1.702
  154    HD1  PHE  24           HD2      PHE  24   3.831   0.399   0.399
  155    HD2  PHE  24           HD1      PHE  24  -0.454   0.504   0.504
  156    HE1  PHE  24           HE2      PHE  24   3.915   2.795   2.795
  157    HE2  PHE  24           HE1      PHE  24  -0.374   2.906   2.906
  158    HZ   PHE  24           HZ       PHE  24   1.826   4.036   4.036
  159    H    LYS  25           HN       LYS  25   1.399  -3.725  -3.725
  160    HA   LYS  25           HA       LYS  25  -0.623  -3.093  -3.093
  161   1HB   LYS  25           HB2      LYS  25   0.899  -5.660  -5.660
  162   2HB   LYS  25           HB1      LYS  25  -0.390  -5.510  -5.510
  163   1HG   LYS  25           HG2      LYS  25   1.093  -4.721  -4.721
  164   2HG   LYS  25           HG1      LYS  25   1.444  -3.363  -3.363
  165   1HD   LYS  25           HD2      LYS  25   3.531  -4.244  -4.244
  166   2HD   LYS  25           HD1      LYS  25   2.809  -5.423  -5.423
  167   1HE   LYS  25           HE2      LYS  25   2.483  -6.003  -6.003
  168   2HE   LYS  25           HE1      LYS  25   4.133  -6.107  -6.107
  169   1HZ   LYS  25           HZ2      LYS  25   3.007  -7.430  -7.430
  170   2HZ   LYS  25           HZ1      LYS  25   1.761  -7.664  -7.664
  171   3HZ   LYS  25           HZ3      LYS  25   3.331  -8.201  -8.201
  172    H    ILE  26           HN       ILE  26  -2.748  -3.795  -3.795
  173    HA   ILE  26           HA       ILE  26  -3.236  -4.863  -4.863
  174    HB   ILE  26           HB       ILE  26  -5.214  -3.539  -3.539
  175   1HG1  ILE  26          HG12      ILE  26  -4.398  -1.976  -1.976
  176   2HG1  ILE  26          HG11      ILE  26  -3.009  -2.362  -2.362
  177   1HG2  ILE  26          HG22      ILE  26  -6.009  -5.037  -5.037
  178   2HG2  ILE  26          HG21      ILE  26  -5.309  -3.842  -3.842
  179   3HG2  ILE  26          HG23      ILE  26  -6.621  -3.383  -3.383
  180   1HD1  ILE  26          HD12      ILE  26  -5.568  -1.354  -1.354
  181   2HD1  ILE  26          HD11      ILE  26  -4.386  -0.228  -0.228
  182   3HD1  ILE  26          HD13      ILE  26  -3.934  -1.301  -1.301
  183    H    HIS  27           HN       HIS  27  -4.280  -6.784  -6.784
  184    HA   HIS  27           HA       HIS  27  -5.194  -8.175  -8.175
  185   1HB   HIS  27           HB2      HIS  27  -4.364  -9.894  -9.894
  186   2HB   HIS  27           HB1      HIS  27  -3.985 -10.037 -10.037
  187    HD1  HIS  27           HD1      HIS  27  -2.524  -7.448  -7.448
  188    HD2  HIS  27           HD2      HIS  27  -1.869  -9.708  -9.708
  189    HE1  HIS  27           HE1      HIS  27  -0.266  -6.763  -6.763
  190    H    ALA  28           HN       ALA  28  -7.362  -8.390  -8.390
  191    HA   ALA  28           HA       ALA  28  -8.668  -8.678  -8.678
  192   1HB   ALA  28           HB2      ALA  28  -9.465  -7.512  -7.512
  193   2HB   ALA  28           HB1      ALA  28 -10.731  -8.420  -8.420
  194   3HB   ALA  28           HB3      ALA  28  -9.951  -7.057  -7.057
  195    H    VAL  29           HN       VAL  29  -9.698 -10.611 -10.611
  196    HA   VAL  29           HA       VAL  29 -10.049 -12.619 -12.619
  197    HB   VAL  29           HB       VAL  29  -8.700 -12.912 -12.912
  198   1HG1  VAL  29          HG12      VAL  29 -10.667 -14.442 -14.442
  199   2HG1  VAL  29          HG11      VAL  29 -10.181 -15.167 -15.167
  200   3HG1  VAL  29          HG13      VAL  29  -9.148 -15.332 -15.332
  201   1HG2  VAL  29          HG23      VAL  29  -7.639 -12.834 -12.834
  202   2HG2  VAL  29          HG22      VAL  29  -7.114 -14.111 -14.111
  203   3HG2  VAL  29          HG21      VAL  29  -8.276 -14.468 -14.468
  204    H    ASP  30           HN       ASP  30 -12.057 -13.441 -13.441
  205    HA   ASP  30           HA       ASP  30 -13.927 -12.759 -12.759
  206   1HB   ASP  30           HB2      ASP  30 -15.575 -12.445 -12.445
  207   2HB   ASP  30           HB1      ASP  30 -14.165 -11.999 -11.999
  208    HA   PRO  31           HA       PRO  31 -14.815 -17.002 -17.002
  209   1HB   PRO  31           HB2      PRO  31 -17.526 -17.318 -17.318
  210   2HB   PRO  31           HB1      PRO  31 -16.784 -16.493 -16.493
  211   1HG   PRO  31           HG2      PRO  31 -18.240 -15.325 -15.325
  212   2HG   PRO  31           HG1      PRO  31 -17.992 -14.659 -14.659
  213   1HD   PRO  31           HD2      PRO  31 -16.581 -13.934 -13.934
  214   2HD   PRO  31           HD1      PRO  31 -16.176 -13.450 -13.450
  215    H    ASP  32           HN       ASP  32 -14.577 -16.140 -16.140
  216    HA   ASP  32           HA       ASP  32 -15.676 -18.737 -18.737
  217   1HB   ASP  32           HB2      ASP  32 -15.096 -16.196 -16.196
  218   2HB   ASP  32           HB1      ASP  32 -15.803 -17.675 -17.675
  219    H    GLY  33           HN       GLY  33 -12.918 -17.559 -17.559
  220   1HA   GLY  33           HA2      GLY  33 -10.684 -18.269 -18.269
  221   2HA   GLY  33           HA1      GLY  33 -11.246 -19.336 -19.336
  222    H    VAL  34           HN       VAL  34 -11.989 -15.943 -15.943
  223    HA   VAL  34           HA       VAL  34 -10.057 -15.242 -15.242
  224    HB   VAL  34           HB       VAL  34 -12.904 -14.465 -14.465
  225   1HG1  VAL  34          HG11      VAL  34 -10.378 -14.726 -14.726
  226   2HG1  VAL  34          HG13      VAL  34 -11.770 -15.352 -15.352
  227   3HG1  VAL  34          HG12      VAL  34 -11.763 -13.681 -13.681
  228   1HG2  VAL  34          HG23      VAL  34 -11.794 -17.254 -17.254
  229   2HG2  VAL  34          HG22      VAL  34 -13.245 -16.800 -16.800
  230   3HG2  VAL  34          HG21      VAL  34 -13.206 -16.640 -16.640
  231    H    HIS  35           HN       HIS  35 -10.895 -12.762 -12.762
  232    HA   HIS  35           HA       HIS  35 -10.883 -11.369 -11.369
  233   1HB   HIS  35           HB2      HIS  35 -10.371 -10.214 -10.214
  234   2HB   HIS  35           HB1      HIS  35 -10.069  -9.426  -9.426
  235    HD1  HIS  35           HD1      HIS  35  -7.567  -9.353  -9.353
  236    HD2  HIS  35           HD2      HIS  35  -8.916 -13.077 -13.077
  237    HE1  HIS  35           HE1      HIS  35  -5.524 -10.842 -10.842
  238    H    ARG  36           HN       ARG  36 -13.231 -12.240 -12.240
  239    HA   ARG  36           HA       ARG  36 -15.511 -11.875 -11.875
  240   1HB   ARG  36           HB2      ARG  36 -16.228  -9.532  -9.532
  241   2HB   ARG  36           HB1      ARG  36 -15.011 -10.055 -10.055
  242   1HG   ARG  36           HG2      ARG  36 -13.289  -8.825  -8.825
  243   2HG   ARG  36           HG1      ARG  36 -14.306  -8.538  -8.538
  244   1HD   ARG  36           HD2      ARG  36 -14.844  -7.467  -7.467
  245   2HD   ARG  36           HD1      ARG  36 -14.189  -6.531  -6.531
  246    HE   ARG  36           HE       ARG  36 -16.362  -6.852  -6.852
  247   1HH1  ARG  36          HH11      ARG  36 -16.242  -6.379  -6.379
  248   2HH1  ARG  36          HH12      ARG  36 -17.881  -6.838  -6.838
  249   1HH2  ARG  36          HH21      ARG  36 -18.443  -8.013  -8.013
  250   2HH2  ARG  36          HH22      ARG  36 -19.127  -7.770  -7.770
  251    H    THR  37           HN       THR  37 -15.082 -12.727 -12.727
  252    HA   THR  37           HA       THR  37 -15.334 -12.522 -12.522
  253    HB   THR  37           HB       THR  37 -17.297 -10.366 -10.366
  254    HG1  THR  37           HG1      THR  37 -18.077 -10.887 -10.887
  255   1HG2  THR  37          HG23      THR  37 -16.854 -12.693 -12.693
  256   2HG2  THR  37          HG22      THR  37 -18.236 -13.104 -13.104
  257   3HG2  THR  37          HG21      THR  37 -18.317 -11.710 -11.710
  258    H    ASP  38           HN       ASP  38 -13.227 -11.481 -11.481
  259    HA   ASP  38           HA       ASP  38 -12.559  -8.804  -8.804
  260   1HB   ASP  38           HB2      ASP  38 -11.540 -11.004 -11.004
  261   2HB   ASP  38           HB1      ASP  38 -11.692  -9.686  -9.686
  262    H    GLY  39           HN       GLY  39 -12.334  -7.210  -7.210
  263   1HA   GLY  39           HA2      GLY  39 -13.360  -6.184  -6.184
  264   2HA   GLY  39           HA1      GLY  39 -14.744  -7.261  -7.261
  265    H    GLY  40           HN       GLY  40 -15.285  -6.823  -6.823
  266   1HA   GLY  40           HA2      GLY  40 -15.734  -3.886  -3.886
  267   2HA   GLY  40           HA1      GLY  40 -17.131  -4.959  -4.959
  268    H    ASP  41           HN       ASP  41 -13.891  -4.598  -4.598
  269    HA   ASP  41           HA       ASP  41 -14.968  -5.827  -5.827
  270   1HB   ASP  41           HB2      ASP  41 -12.187  -4.726  -4.726
  271   2HB   ASP  41           HB1      ASP  41 -12.685  -5.874  -5.874
  272    H    GLY  42           HN       GLY  42 -15.715  -4.569  -4.569
  273   1HA   GLY  42           HA2      GLY  42 -15.690  -1.675  -1.675
  274   2HA   GLY  42           HA1      GLY  42 -16.257  -2.594  -2.594
  275    H    PHE  43           HN       PHE  43 -13.155  -2.078  -2.078
  276    HA   PHE  43           HA       PHE  43 -11.789  -2.052  -2.052
  277   1HB   PHE  43           HB2      PHE  43 -11.184  -3.131  -3.131
  278   2HB   PHE  43           HB1      PHE  43 -10.053  -1.800  -1.800
  279    HD1  PHE  43           HD1      PHE  43 -10.115  -2.041  -2.041
  280    HD2  PHE  43           HD2      PHE  43  -9.497  -4.849  -4.849
  281    HE1  PHE  43           HE1      PHE  43  -8.753  -3.469  -3.469
  282    HE2  PHE  43           HE2      PHE  43  -8.137  -6.272  -6.272
  283    HZ   PHE  43           HZ       PHE  43  -7.770  -5.583  -5.583
  284    H    VAL  44           HN       VAL  44 -11.657  -0.026  -0.026
  285    HA   VAL  44           HA       VAL  44 -10.899   2.169   2.169
  286    HB   VAL  44           HB       VAL  44 -12.808   3.188   3.188
  287   1HG1  VAL  44          HG12      VAL  44 -12.858   0.984   0.984
  288   2HG1  VAL  44          HG11      VAL  44 -13.791   2.421   2.421
  289   3HG1  VAL  44          HG13      VAL  44 -14.113   1.545   1.545
  290   1HG2  VAL  44          HG21      VAL  44 -11.071   4.423   4.423
  291   2HG2  VAL  44          HG23      VAL  44 -12.666   4.478   4.478
  292   3HG2  VAL  44          HG22      VAL  44 -11.429   3.391   3.391
  293    H    VAL  45           HN       VAL  45  -8.807   2.611   2.611
  294    HA   VAL  45           HA       VAL  45  -7.728   2.481   2.481
  295    HB   VAL  45           HB       VAL  45  -6.039   2.223   2.223
  296   1HG1  VAL  45          HG12      VAL  45  -5.754   1.670   1.670
  297   2HG1  VAL  45          HG11      VAL  45  -4.763   0.772   0.772
  298   3HG1  VAL  45          HG13      VAL  45  -4.656   2.532   2.532
  299   1HG2  VAL  45          HG23      VAL  45  -8.012   0.342   0.342
  300   2HG2  VAL  45          HG22      VAL  45  -6.951   0.227   0.227
  301   3HG2  VAL  45          HG21      VAL  45  -6.394  -0.340  -0.340
  302    H    THR  46           HN       THR  46  -6.293   4.172   4.172
  303    HA   THR  46           HA       THR  46  -5.725   6.297   6.297
  304    HB   THR  46           HB       THR  46  -6.981   7.799   7.799
  305    HG1  THR  46           HG1      THR  46  -8.914   6.851   6.851
  306   1HG2  THR  46          HG21      THR  46  -7.721   6.923   6.923
  307   2HG2  THR  46          HG23      THR  46  -8.774   8.000   8.000
  308   3HG2  THR  46          HG22      THR  46  -7.123   8.490   8.490
  309    H    ILE  47           HN       ILE  47  -3.878   7.231   7.231
  310    HA   ILE  47           HA       ILE  47  -2.997   7.109   7.109
  311    HB   ILE  47           HB       ILE  47  -1.480   6.645   6.645
  312   1HG1  ILE  47          HG12      ILE  47  -2.023   5.234   5.234
  313   2HG1  ILE  47          HG11      ILE  47  -1.646   4.575   4.575
  314   1HG2  ILE  47          HG23      ILE  47  -0.302   7.726   7.726
  315   2HG2  ILE  47          HG22      ILE  47   0.642   7.094   7.094
  316   3HG2  ILE  47          HG21      ILE  47  -0.321   8.545   8.545
  317   1HD1  ILE  47          HD11      ILE  47   0.744   5.435   5.435
  318   2HD1  ILE  47          HD13      ILE  47   0.276   5.623   5.623
  319   3HD1  ILE  47          HD12      ILE  47   0.250   4.028   4.028
  320    H    GLU  48           HN       GLU  48  -1.685   8.944   8.944
  321    HA   GLU  48           HA       GLU  48  -1.213  11.097  11.097
  322   1HB   GLU  48           HB2      GLU  48  -2.842  12.706  12.706
  323   2HB   GLU  48           HB1      GLU  48  -3.466  11.714  11.714
  324   1HG   GLU  48           HG2      GLU  48  -4.852  10.632  10.632
  325   2HG   GLU  48           HG1      GLU  48  -3.507  10.206  10.206
  326    H    GLY  49           HN       GLY  49  -0.210  12.903  12.903
  327   1HA   GLY  49           HA2      GLY  49   0.343  13.004  13.004
  328   2HA   GLY  49           HA1      GLY  49   1.724  12.441  12.441
  329    HA   PRO  50           HA       PRO  50   1.686  17.073  17.073
  330   1HB   PRO  50           HB2      PRO  50   4.260  17.366  17.366
  331   2HB   PRO  50           HB1      PRO  50   2.836  17.320  17.320
  332   1HG   PRO  50           HG2      PRO  50   4.889  15.205  15.205
  333   2HG   PRO  50           HG1      PRO  50   3.887  15.493  15.493
  334   1HD   PRO  50           HD2      PRO  50   3.424  13.506  13.506
  335   2HD   PRO  50           HD1      PRO  50   2.248  14.062  14.062
  336    H    ALA  51           HN       ALA  51   1.710  16.192  16.192
  337    HA   ALA  51           HA       ALA  51   4.226  17.059  17.059
  338   1HB   ALA  51           HB2      ALA  51   3.898  14.355  14.355
  339   2HB   ALA  51           HB1      ALA  51   3.329  14.517  14.517
  340   3HB   ALA  51           HB3      ALA  51   4.957  15.040  15.040
  341    HA   PRO  52           HA       PRO  52   1.554  18.196  18.196
  342   1HB   PRO  52           HB2      PRO  52   2.970  17.476  17.476
  343   2HB   PRO  52           HB1      PRO  52   3.403  18.849  18.849
  344   1HG   PRO  52           HG2      PRO  52   4.709  16.176  16.176
  345   2HG   PRO  52           HG1      PRO  52   5.406  17.731  17.731
  346   1HD   PRO  52           HD2      PRO  52   4.638  15.642  15.642
  347   2HD   PRO  52           HD1      PRO  52   5.018  17.312  17.312
  348    H    VAL  53           HN       VAL  53   2.935  14.974  14.974
  349    HA   VAL  53           HA       VAL  53   0.346  14.168  14.168
  350    HB   VAL  53           HB       VAL  53   3.061  12.810  12.810
  351   1HG1  VAL  53          HG12      VAL  53   0.377  11.967  11.967
  352   2HG1  VAL  53          HG11      VAL  53   1.837  11.454  11.454
  353   3HG1  VAL  53          HG13      VAL  53   1.596  11.013  11.013
  354   1HG2  VAL  53          HG22      VAL  53   1.822  14.794  14.794
  355   2HG2  VAL  53          HG21      VAL  53   3.491  14.223  14.223
  356   3HG2  VAL  53          HG23      VAL  53   2.274  13.342  13.342
  357    H    ASP  54           HN       ASP  54  -0.649  14.143  14.143
  358    HA   ASP  54           HA       ASP  54   0.388  12.021  12.021
  359   1HB   ASP  54           HB2      ASP  54  -1.827  14.051  14.051
  360   2HB   ASP  54           HB1      ASP  54  -1.439  12.828  12.828
  361    HA   PRO  55           HA       PRO  55  -3.884  10.139  10.139
  362   1HB   PRO  55           HB2      PRO  55  -5.435  11.317  11.317
  363   2HB   PRO  55           HB1      PRO  55  -5.507  11.766  11.766
  364   1HG   PRO  55           HG2      PRO  55  -4.292  13.253  13.253
  365   2HG   PRO  55           HG1      PRO  55  -4.925  13.872  13.872
  366   1HD   PRO  55           HD2      PRO  55  -2.187  13.482  13.482
  367   2HD   PRO  55           HD1      PRO  55  -2.855  13.834  13.834
  368    H    VAL  56           HN       VAL  56  -2.575   8.484   8.484
  369    HA   VAL  56           HA       VAL  56  -2.703   8.575   8.575
  370    HB   VAL  56           HB       VAL  56  -0.431   7.402   7.402
  371   1HG1  VAL  56          HG12      VAL  56  -1.208   7.594   7.594
  372   2HG1  VAL  56          HG11      VAL  56   0.321   8.439   8.439
  373   3HG1  VAL  56          HG13      VAL  56   0.169   6.744   6.744
  374   1HG2  VAL  56          HG23      VAL  56  -0.805   9.921   9.921
  375   2HG2  VAL  56          HG22      VAL  56   0.784   9.442   9.442
  376   3HG2  VAL  56          HG21      VAL  56  -0.390  10.148  10.148
  377    H    MET  57           HN       MET  57  -4.449   7.019   7.019
  378    HA   MET  57           HA       MET  57  -3.476   4.310   4.310
  379   1HB   MET  57           HB2      MET  57  -5.496   3.689   3.689
  380   2HB   MET  57           HB1      MET  57  -4.930   5.186   5.186
  381   1HG   MET  57           HG2      MET  57  -6.918   6.120   6.120
  382   2HG   MET  57           HG1      MET  57  -6.560   5.940   5.940
  383   1HE   MET  57           HE3      MET  57  -8.749   6.184   6.184
  384   2HE   MET  57           HE2      MET  57  -9.362   4.757   4.757
  385   3HE   MET  57           HE1      MET  57 -10.073   5.246   5.246
  386    H    VAL  58           HN       VAL  58  -3.975   2.775   2.775
  387    HA   VAL  58           HA       VAL  58  -6.009   3.452   3.452
  388    HB   VAL  58           HB       VAL  58  -3.713   1.951   1.951
  389   1HG1  VAL  58          HG11      VAL  58  -5.799   3.412   3.412
  390   2HG1  VAL  58          HG13      VAL  58  -4.471   4.565   4.565
  391   3HG1  VAL  58          HG12      VAL  58  -4.352   2.987   2.987
  392   1HG2  VAL  58          HG21      VAL  58  -3.332   4.823   4.823
  393   2HG2  VAL  58          HG23      VAL  58  -2.451   3.416   3.416
  394   3HG2  VAL  58          HG22      VAL  58  -2.231   3.957   3.957
  395    H    ASP  59           HN       ASP  59  -6.869   1.561   1.561
  396    HA   ASP  59           HA       ASP  59  -6.479  -0.988  -0.988
  397   1HB   ASP  59           HB2      ASP  59  -8.685   0.024   0.024
  398   2HB   ASP  59           HB1      ASP  59  -8.985   0.108   0.108
  399    H    ASN  60           HN       ASN  60  -5.939  -2.750  -2.750
  400    HA   ASN  60           HA       ASN  60  -5.596  -2.306  -2.306
  401   1HB   ASN  60           HB2      ASN  60  -4.007  -3.557  -3.557
  402   2HB   ASN  60           HB1      ASN  60  -4.970  -4.941  -4.941
  403   1HD2  ASN  60          HD22      ASN  60  -3.884  -3.836  -3.836
  404   2HD2  ASN  60          HD21      ASN  60  -5.346  -3.542  -3.542
  405    H    GLY  61           HN       GLY  61  -7.819  -4.015  -4.015
  406   1HA   GLY  61           HA2      GLY  61  -9.927  -4.836  -4.836
  407   2HA   GLY  61           HA1      GLY  61  -9.338  -4.764  -4.764
  408    H    ASP  62           HN       ASP  62  -7.172  -6.275  -6.275
  409    HA   ASP  62           HA       ASP  62  -8.109  -8.955  -8.955
  410   1HB   ASP  62           HB2      ASP  62  -5.710  -9.636  -9.636
  411   2HB   ASP  62           HB1      ASP  62  -6.015  -8.339  -8.339
  412    H    GLY  63           HN       GLY  63  -8.599  -7.354  -7.354
  413   1HA   GLY  63           HA2      GLY  63  -9.012  -8.097  -8.097
  414   2HA   GLY  63           HA1      GLY  63  -8.132  -9.579  -9.579
  415    H    THR  64           HN       THR  64  -6.062  -7.389  -7.389
  416    HA   THR  64           HA       THR  64  -4.763  -6.971  -6.971
  417    HB   THR  64           HB       THR  64  -2.594  -7.090  -7.090
  418    HG1  THR  64           HG1      THR  64  -3.786  -6.905  -6.905
  419   1HG2  THR  64          HG23      THR  64  -4.412  -9.479  -9.479
  420   2HG2  THR  64          HG22      THR  64  -2.722  -9.634  -9.634
  421   3HG2  THR  64          HG21      THR  64  -3.136  -8.924  -8.924
  422    H    TYR  65           HN       TYR  65  -5.018  -4.751  -4.751
  423    HA   TYR  65           HA       TYR  65  -4.646  -2.946  -2.946
  424   1HB   TYR  65           HB2      TYR  65  -5.990  -2.305  -2.305
  425   2HB   TYR  65           HB1      TYR  65  -6.034  -1.347  -1.347
  426    HD1  TYR  65           HD2      TYR  65  -6.088  -3.943  -3.943
  427    HD2  TYR  65           HD1      TYR  65  -8.492  -2.552  -2.552
  428    HE1  TYR  65           HE2      TYR  65  -7.972  -5.290  -5.290
  429    HE2  TYR  65           HE1      TYR  65 -10.384  -3.911  -3.911
  430    HH   TYR  65           HH       TYR  65 -10.164  -5.719  -5.719
  431    H    ASP  66           HN       ASP  66  -3.423  -0.920  -0.920
  432    HA   ASP  66           HA       ASP  66  -1.436  -1.281  -1.281
  433   1HB   ASP  66           HB2      ASP  66  -0.701  -0.057  -0.057
  434   2HB   ASP  66           HB1      ASP  66   0.346  -0.810  -0.810
  435    H    VAL  67           HN       VAL  67  -0.446   0.638   0.638
  436    HA   VAL  67           HA       VAL  67  -1.732   3.196   3.196
  437    HB   VAL  67           HB       VAL  67  -2.314   3.721   3.721
  438   1HG1  VAL  67          HG11      VAL  67  -2.849   0.794   0.794
  439   2HG1  VAL  67          HG13      VAL  67  -3.604   1.647   1.647
  440   3HG1  VAL  67          HG12      VAL  67  -3.925   2.156   2.156
  441   1HG2  VAL  67          HG22      VAL  67  -0.325   1.634   1.634
  442   2HG2  VAL  67          HG21      VAL  67  -0.657   3.160   3.160
  443   3HG2  VAL  67          HG23      VAL  67  -1.695   1.763   1.763
  444    H    GLU  68           HN       GLU  68  -0.219   5.019   5.019
  445    HA   GLU  68           HA       GLU  68   2.369   4.402   4.402
  446   1HB   GLU  68           HB2      GLU  68   2.399   5.356   5.356
  447   2HB   GLU  68           HB1      GLU  68   3.738   4.726   4.726
  448   1HG   GLU  68           HG2      GLU  68   3.144   2.935   2.935
  449   2HG   GLU  68           HG1      GLU  68   2.382   2.521   2.521
  450    H    PHE  69           HN       PHE  69   3.196   6.175   6.175
  451    HA   PHE  69           HA       PHE  69   2.639   8.830   8.830
  452   1HB   PHE  69           HB2      PHE  69   2.180   9.900   9.900
  453   2HB   PHE  69           HB1      PHE  69   1.068   8.545   8.545
  454    HD1  PHE  69           HD1      PHE  69   2.181   6.222   6.222
  455    HD2  PHE  69           HD2      PHE  69   3.206  10.181  10.181
  456    HE1  PHE  69           HE1      PHE  69   3.038   5.311   5.311
  457    HE2  PHE  69           HE2      PHE  69   4.063   9.262   9.262
  458    HZ   PHE  69           HZ       PHE  69   3.957   6.807   6.807
  459    H    GLU  70           HN       GLU  70   4.413  10.413  10.413
  460    HA   GLU  70           HA       GLU  70   6.771   9.198   9.198
  461   1HB   GLU  70           HB2      GLU  70   8.215   9.407   9.407
  462   2HB   GLU  70           HB1      GLU  70   6.783   8.527   8.527
  463   1HG   GLU  70           HG2      GLU  70   5.894  10.925  10.925
  464   2HG   GLU  70           HG1      GLU  70   7.606  11.348  11.348
  465    HA   PRO  71           HA       PRO  71   6.669  13.650  13.650
  466   1HB   PRO  71           HB2      PRO  71   7.564  13.305  13.305
  467   2HB   PRO  71           HB1      PRO  71   5.865  13.140  13.140
  468   1HG   PRO  71           HG2      PRO  71   7.823  11.014  11.014
  469   2HG   PRO  71           HG1      PRO  71   6.055  10.984  10.984
  470   1HD   PRO  71           HD2      PRO  71   7.675   9.801   9.801
  471   2HD   PRO  71           HD1      PRO  71   5.907   9.969   9.969
  472    H    LYS  72           HN       LYS  72   8.484  15.004  15.004
  473    HA   LYS  72           HA       LYS  72  11.237  13.955  13.955
  474   1HB   LYS  72           HB2      LYS  72  10.117  16.562  16.562
  475   2HB   LYS  72           HB1      LYS  72  11.821  16.114  16.114
  476   1HG   LYS  72           HG2      LYS  72  11.201  14.071  14.071
  477   2HG   LYS  72           HG1      LYS  72   9.545  14.674  14.674
  478   1HD   LYS  72           HD2      LYS  72  11.955  16.220  16.220
  479   2HD   LYS  72           HD1      LYS  72  10.906  15.251  15.251
  480   1HE   LYS  72           HE2      LYS  72   9.406  16.922  16.922
  481   2HE   LYS  72           HE1      LYS  72   9.290  16.975  16.975
  482   1HZ   LYS  72           HZ3      LYS  72  11.534  18.222  18.222
  483   2HZ   LYS  72           HZ2      LYS  72  10.091  19.058  19.058
  484   3HZ   LYS  72           HZ1      LYS  72  11.053  18.490  18.490
  485    H    GLU  73           HN       GLU  73   9.690  14.588  14.588
  486    HA   GLU  73           HA       GLU  73  11.757  16.298  16.298
  487   1HB   GLU  73           HB2      GLU  73  10.201  17.909  17.909
  488   2HB   GLU  73           HB1      GLU  73   9.919  17.837  17.837
  489   1HG   GLU  73           HG2      GLU  73   7.788  17.211  17.211
  490   2HG   GLU  73           HG1      GLU  73   8.325  15.818  15.818
  491    H    ALA  74           HN       ALA  74  10.327  16.666  16.666
  492    HA   ALA  74           HA       ALA  74  10.329  13.885  13.885
  493   1HB   ALA  74           HB3      ALA  74  11.400  16.157  16.157
  494   2HB   ALA  74           HB2      ALA  74   9.826  16.146  16.146
  495   3HB   ALA  74           HB1      ALA  74  10.913  14.768  14.768
  496    H    GLY  75           HN       GLY  75   8.363  12.877  12.877
  497   1HA   GLY  75           HA2      GLY  75   5.989  14.355  14.355
  498   2HA   GLY  75           HA1      GLY  75   5.950  13.863  13.863
  499    H    ASP  76           HN       ASP  76   4.096  12.934  12.934
  500    HA   ASP  76           HA       ASP  76   4.892  10.069  10.069
  501   1HB   ASP  76           HB2      ASP  76   3.022   9.992   9.992
  502   2HB   ASP  76           HB1      ASP  76   4.276  11.142  11.142
  503    H    TYR  77           HN       TYR  77   3.203   8.520   8.520
  504    HA   TYR  77           HA       TYR  77   1.482   9.573   9.573
  505   1HB   TYR  77           HB2      TYR  77   2.231   6.688   6.688
  506   2HB   TYR  77           HB1      TYR  77   1.684   7.510   7.510
  507    HD1  TYR  77           HD1      TYR  77   3.412   9.987   9.987
  508    HD2  TYR  77           HD2      TYR  77   4.263   5.798   5.798
  509    HE1  TYR  77           HE1      TYR  77   5.743  10.410  10.410
  510    HE2  TYR  77           HE2      TYR  77   6.593   6.208   6.208
  511    HH   TYR  77           HH       TYR  77   7.604   9.046   9.046
  512    H    VAL  78           HN       VAL  78  -0.619   9.155   9.155
  513    HA   VAL  78           HA       VAL  78  -1.692   7.442   7.442
  514    HB   VAL  78           HB       VAL  78  -2.538   9.603   9.603
  515   1HG1  VAL  78          HG11      VAL  78  -2.586   9.779   9.779
  516   2HG1  VAL  78          HG13      VAL  78  -3.738  10.761  10.761
  517   3HG1  VAL  78          HG12      VAL  78  -2.006  10.953  10.953
  518   1HG2  VAL  78          HG23      VAL  78  -4.236   7.547   7.547
  519   2HG2  VAL  78          HG22      VAL  78  -4.661   8.887   8.887
  520   3HG2  VAL  78          HG21      VAL  78  -4.885   9.040   9.040
  521    H    ILE  79           HN       ILE  79  -2.728   5.683   5.683
  522    HA   ILE  79           HA       ILE  79  -3.155   5.488   5.488
  523    HB   ILE  79           HB       ILE  79  -3.379   2.935   2.935
  524   1HG1  ILE  79          HG12      ILE  79  -0.943   4.563   4.563
  525   2HG1  ILE  79          HG11      ILE  79  -2.094   3.784   3.784
  526   1HG2  ILE  79          HG23      ILE  79  -2.686   3.414   3.414
  527   2HG2  ILE  79          HG22      ILE  79  -1.205   4.157   4.157
  528   3HG2  ILE  79          HG21      ILE  79  -1.488   2.433   2.433
  529   1HD1  ILE  79          HD13      ILE  79  -1.126   1.813   1.813
  530   2HD1  ILE  79          HD12      ILE  79   0.262   2.663   2.663
  531   3HD1  ILE  79          HD11      ILE  79  -0.903   1.881   1.881
  532    H    ASN  80           HN       ASN  80  -4.848   4.295   4.295
  533    HA   ASN  80           HA       ASN  80  -7.202   3.804   3.804
  534   1HB   ASN  80           HB2      ASN  80  -7.522   5.521   5.521
  535   2HB   ASN  80           HB1      ASN  80  -8.632   5.293   5.293
  536   1HD2  ASN  80          HD22      ASN  80  -6.088   8.353   8.353
  537   2HD2  ASN  80          HD21      ASN  80  -6.444   7.503   7.503
  538    H    LEU  81           HN       LEU  81  -7.664   1.779   1.779
  539    HA   LEU  81           HA       LEU  81  -7.718   1.104   1.104
  540   1HB   LEU  81           HB2      LEU  81  -5.611   0.193   0.193
  541   2HB   LEU  81           HB1      LEU  81  -6.405  -0.485  -0.485
  542    HG   LEU  81           HG       LEU  81  -5.832  -1.968  -1.968
  543   1HD1  LEU  81          HD11      LEU  81  -7.307  -2.257  -2.257
  544   2HD1  LEU  81          HD13      LEU  81  -8.518  -2.583  -2.583
  545   3HD1  LEU  81          HD12      LEU  81  -7.036  -3.538  -3.538
  546   1HD2  LEU  81          HD21      LEU  81  -7.575  -0.285  -0.285
  547   2HD2  LEU  81          HD23      LEU  81  -7.353  -1.958  -1.958
  548   3HD2  LEU  81          HD22      LEU  81  -8.693  -1.523  -1.523
  549    H    THR  82           HN       THR  82  -9.799   0.532   0.532
  550    HA   THR  82           HA       THR  82 -11.199  -0.942  -0.942
  551    HB   THR  82           HB       THR  82 -13.258   0.378   0.378
  552    HG1  THR  82           HG1      THR  82 -11.432   1.261   1.261
  553   1HG2  THR  82          HG21      THR  82 -11.132   1.061   1.061
  554   2HG2  THR  82          HG23      THR  82 -11.998   2.480   2.480
  555   3HG2  THR  82          HG22      THR  82 -12.881   1.171   1.171
  556    H    LEU  83           HN       LEU  83 -12.384  -2.684  -2.684
  557    HA   LEU  83           HA       LEU  83 -13.131  -3.044  -3.044
  558   1HB   LEU  83           HB2      LEU  83 -10.955  -4.274  -4.274
  559   2HB   LEU  83           HB1      LEU  83 -11.882  -5.307  -5.307
  560    HG   LEU  83           HG       LEU  83 -11.538  -6.136  -6.136
  561   1HD1  LEU  83          HD11      LEU  83 -13.261  -6.951  -6.951
  562   2HD1  LEU  83          HD13      LEU  83 -14.425  -5.924  -5.924
  563   3HD1  LEU  83          HD12      LEU  83 -13.645  -7.251  -7.251
  564   1HD2  LEU  83          HD23      LEU  83 -12.148  -3.887  -3.887
  565   2HD2  LEU  83          HD22      LEU  83 -13.064  -5.238  -5.238
  566   3HD2  LEU  83          HD21      LEU  83 -13.808  -4.171  -4.171
  567    H    ASP  84           HN       ASP  84 -15.211  -2.446  -2.446
  568    HA   ASP  84           HA       ASP  84 -17.232  -4.090  -4.090
  569   1HB   ASP  84           HB2      ASP  84 -15.618  -4.833  -4.833
  570   2HB   ASP  84           HB1      ASP  84 -17.377  -4.949  -4.949
  571    H    GLY  85           HN       GLY  85 -15.543  -1.700  -1.700
  572   1HA   GLY  85           HA2      GLY  85 -17.048   0.399   0.399
  573   2HA   GLY  85           HA1      GLY  85 -18.102  -0.661  -0.661
  574    H    ASP  86           HN       ASP  86 -14.972  -1.669  -1.669
  575    HA   ASP  86           HA       ASP  86 -14.679   0.275   0.275
  576   1HB   ASP  86           HB2      ASP  86 -15.482  -2.365  -2.365
  577   2HB   ASP  86           HB1      ASP  86 -13.741  -2.442  -2.442
  578    H    ASN  87           HN       ASN  87 -12.291  -0.108  -0.108
  579    HA   ASN  87           HA       ASN  87 -10.549  -0.311  -0.311
  580   1HB   ASN  87           HB2      ASN  87  -9.738   0.975   0.975
  581   2HB   ASN  87           HB1      ASN  87  -9.093   1.261   1.261
  582   1HD2  ASN  87          HD22      ASN  87 -11.242   4.007   4.007
  583   2HD2  ASN  87          HD21      ASN  87  -9.694   3.341   3.341
  584    H    VAL  88           HN       VAL  88  -8.435  -1.349  -1.349
  585    HA   VAL  88           HA       VAL  88  -8.653  -3.794  -3.794
  586    HB   VAL  88           HB       VAL  88  -6.440  -2.463  -2.463
  587   1HG1  VAL  88          HG11      VAL  88  -5.355  -3.486  -3.486
  588   2HG1  VAL  88          HG13      VAL  88  -6.142  -5.017  -5.017
  589   3HG1  VAL  88          HG12      VAL  88  -4.943  -4.343  -4.343
  590   1HG2  VAL  88          HG21      VAL  88  -8.294  -3.811  -3.811
  591   2HG2  VAL  88          HG23      VAL  88  -6.679  -4.438  -4.438
  592   3HG2  VAL  88          HG22      VAL  88  -7.699  -5.212  -5.212
  593    H    ASN  89           HN       ASN  89  -6.883  -4.451  -4.451
  594    HA   ASN  89           HA       ASN  89  -7.031  -2.483  -2.483
  595   1HB   ASN  89           HB2      ASN  89  -5.571  -5.122  -5.122
  596   2HB   ASN  89           HB1      ASN  89  -6.298  -4.228  -4.228
  597   1HD2  ASN  89          HD22      ASN  89  -8.589  -7.013  -7.013
  598   2HD2  ASN  89          HD21      ASN  89  -6.927  -7.025  -7.025
  599    H    GLY  90           HN       GLY  90  -5.195  -2.007  -2.007
  600   1HA   GLY  90           HA2      GLY  90  -2.882  -1.157  -1.157
  601   2HA   GLY  90           HA1      GLY  90  -2.526  -2.224  -2.224
  602    H    PHE  91           HN       PHE  91  -5.199  -0.180  -0.180
  603    HA   PHE  91           HA       PHE  91  -3.502   1.498   1.498
  604   1HB   PHE  91           HB2      PHE  91  -6.118   0.231   0.231
  605   2HB   PHE  91           HB1      PHE  91  -6.050   1.899   1.899
  606    HD1  PHE  91           HD2      PHE  91  -4.622  -1.469  -1.469
  607    HD2  PHE  91           HD1      PHE  91  -4.591   2.532   2.532
  608    HE1  PHE  91           HE2      PHE  91  -3.287  -2.202  -2.202
  609    HE2  PHE  91           HE1      PHE  91  -3.252   1.828   1.828
  610    HZ   PHE  91           HZ       PHE  91  -2.602  -0.560  -0.560
  611    HA   PRO  92           HA       PRO  92  -6.330   4.703   4.703
  612   1HB   PRO  92           HB2      PRO  92  -7.594   4.006   4.006
  613   2HB   PRO  92           HB1      PRO  92  -8.358   3.916   3.916
  614   1HG   PRO  92           HG2      PRO  92  -7.314   1.709   1.709
  615   2HG   PRO  92           HG1      PRO  92  -8.591   1.671   1.671
  616   1HD   PRO  92           HD2      PRO  92  -5.957   0.750   0.750
  617   2HD   PRO  92           HD1      PRO  92  -7.114   1.056   1.056
  618    H    LYS  93           HN       LYS  93  -3.853   2.925   2.925
  619    HA   LYS  93           HA       LYS  93  -3.228   4.339   4.339
  620   1HB   LYS  93           HB2      LYS  93  -2.811   1.790   1.790
  621   2HB   LYS  93           HB1      LYS  93  -1.433   2.375   2.375
  622   1HG   LYS  93           HG2      LYS  93  -0.792   1.827   1.827
  623   2HG   LYS  93           HG1      LYS  93  -0.566   3.541   3.541
  624   1HD   LYS  93           HD2      LYS  93  -2.042   4.126   4.126
  625   2HD   LYS  93           HD1      LYS  93  -3.262   3.037   3.037
  626   1HE   LYS  93           HE2      LYS  93  -0.951   2.027   2.027
  627   2HE   LYS  93           HE1      LYS  93  -2.467   2.553   2.553
  628   1HZ   LYS  93           HZ1      LYS  93  -3.322   0.943   0.943
  629   2HZ   LYS  93           HZ3      LYS  93  -1.880   0.171   0.171
  630   3HZ   LYS  93           HZ2      LYS  93  -3.087   0.449   0.449
  631    H    THR  94           HN       THR  94  -0.960   5.268   5.268
  632    HA   THR  94           HA       THR  94  -0.420   6.559   6.559
  633    HB   THR  94           HB       THR  94   0.086   7.749   7.749
  634    HG1  THR  94           HG1      THR  94  -2.186   7.307   7.307
  635   1HG2  THR  94          HG22      THR  94   1.043   8.410   8.410
  636   2HG2  THR  94          HG21      THR  94  -0.331   9.496   9.496
  637   3HG2  THR  94          HG23      THR  94   0.979   9.488   9.488
  638    H    VAL  95           HN       VAL  95   1.550   6.319   6.319
  639    HA   VAL  95           HA       VAL  95   3.577   5.087   5.087
  640    HB   VAL  95           HB       VAL  95   3.261   5.164   5.164
  641   1HG1  VAL  95          HG12      VAL  95   5.812   4.489   4.489
  642   2HG1  VAL  95          HG11      VAL  95   5.529   4.250   4.250
  643   3HG1  VAL  95          HG13      VAL  95   5.587   5.882   5.882
  644   1HG2  VAL  95          HG22      VAL  95   2.838   3.291   3.291
  645   2HG2  VAL  95          HG21      VAL  95   2.824   2.980   2.980
  646   3HG2  VAL  95          HG23      VAL  95   4.312   2.767   2.767
  647    H    THR  96           HN       THR  96   5.776   6.095   6.095
  648    HA   THR  96           HA       THR  96   5.534   9.007   9.007
  649    HB   THR  96           HB       THR  96   6.994   7.729   7.729
  650    HG1  THR  96           HG1      THR  96   5.192   7.963   7.963
  651   1HG2  THR  96          HG22      THR  96   6.641  10.556  10.556
  652   2HG2  THR  96          HG21      THR  96   6.883  10.223  10.223
  653   3HG2  THR  96          HG23      THR  96   8.112   9.747   9.747
  654    H    VAL  97           HN       VAL  97   7.158  10.074  10.074
  655    HA   VAL  97           HA       VAL  97   9.775   8.728   8.728
  656    HB   VAL  97           HB       VAL  97   7.959  10.068  10.068
  657   1HG1  VAL  97          HG11      VAL  97  10.975  10.019  10.019
  658   2HG1  VAL  97          HG13      VAL  97   9.997  10.246  10.246
  659   3HG1  VAL  97          HG12      VAL  97   9.924  11.429  11.429
  660   1HG2  VAL  97          HG21      VAL  97   9.658   7.610   7.610
  661   2HG2  VAL  97          HG23      VAL  97   7.976   7.749   7.749
  662   3HG2  VAL  97          HG22      VAL  97   9.261   8.266   8.266
  663    H    LYS  98           HN       LYS  98  11.467  10.078  10.078
  664    HA   LYS  98           HA       LYS  98  10.746  12.937  12.937
  665   1HB   LYS  98           HB2      LYS  98  11.864  10.930  10.930
  666   2HB   LYS  98           HB1      LYS  98  12.723  12.470  12.470
  667   1HG   LYS  98           HG2      LYS  98  10.975  13.588  13.588
  668   2HG   LYS  98           HG1      LYS  98   9.778  12.699  12.699
  669   1HD   LYS  98           HD2      LYS  98   9.302  11.621  11.621
  670   2HD   LYS  98           HD1      LYS  98  10.809  10.746  10.746
  671   1HE   LYS  98           HE2      LYS  98  10.567  11.868  11.868
  672   2HE   LYS  98           HE1      LYS  98  12.042  12.240  12.240
  673   1HZ   LYS  98           HZ2      LYS  98   9.835  13.990  13.990
  674   2HZ   LYS  98           HZ1      LYS  98  10.347  14.072  14.072
  675   3HZ   LYS  98           HZ3      LYS  98  11.452  14.366  14.366
  676    HA   PRO  99           HA       PRO  99  15.361  13.189  13.189
  677   1HB   PRO  99           HB2      PRO  99  16.828  10.880  10.880
  678   2HB   PRO  99           HB1      PRO  99  16.611  11.737  11.737
  679   1HG   PRO  99           HG2      PRO  99  15.327   9.212   9.212
  680   2HG   PRO  99           HG1      PRO  99  15.690   9.740   9.740
  681   1HD   PRO  99           HD2      PRO  99  13.162   9.827   9.827
  682   2HD   PRO  99           HD1      PRO  99  13.636  10.712  10.712
  683    H    ALA 100           HN       ALA 100  13.901  13.541  13.541
  684    HA   ALA 100           HA       ALA 100  14.235  11.581  11.581
  685   1HB   ALA 100           HB1      ALA 100  12.338  13.441  13.441
  686   2HB   ALA 100           HB3      ALA 100  13.412  14.378  14.378
  687   3HB   ALA 100           HB2      ALA 100  12.748  12.855  12.855

  Start of MODEL    8
    1   1H    ALA   1           HT2      ALA   1 -18.030 -11.864 -11.864
    2   2H    ALA   1           HT1      ALA   1 -19.317 -10.911 -10.911
    3   3H    ALA   1           HT3      ALA   1 -18.858 -12.305 -12.305
    4    HA   ALA   1           HA       ALA   1 -17.604 -11.002 -11.002
    5   1HB   ALA   1           HB3      ALA   1 -18.952  -9.075  -9.075
    6   2HB   ALA   1           HB2      ALA   1 -17.812  -8.877  -8.877
    7   3HB   ALA   1           HB1      ALA   1 -17.281  -8.631  -8.631
    8    H    ASP   2           HN       ASP   2 -15.583  -9.116  -9.116
    9    HA   ASP   2           HA       ASP   2 -13.716 -11.105 -11.105
   10   1HB   ASP   2           HB2      ASP   2 -13.101 -10.624 -10.624
   11   2HB   ASP   2           HB1      ASP   2 -13.210  -8.892  -8.892
   12    HA   PRO   3           HA       PRO   3 -13.749  -7.135  -7.135
   13   1HB   PRO   3           HB2      PRO   3 -15.480  -7.853  -7.853
   14   2HB   PRO   3           HB1      PRO   3 -15.994  -6.951  -6.951
   15   1HG   PRO   3           HG2      PRO   3 -16.422  -9.834  -9.834
   16   2HG   PRO   3           HG1      PRO   3 -17.421  -8.747  -8.747
   17   1HD   PRO   3           HD2      PRO   3 -15.656 -10.682 -10.682
   18   2HD   PRO   3           HD1      PRO   3 -16.337  -9.308  -9.308
   19    H    GLU   4           HN       GLU   4 -13.228 -10.430 -10.430
   20    HA   GLU   4           HA       GLU   4 -11.695 -10.223 -10.223
   21   1HB   GLU   4           HB2      GLU   4 -13.943 -11.681 -11.681
   22   2HB   GLU   4           HB1      GLU   4 -12.739 -12.852 -12.852
   23   1HG   GLU   4           HG2      GLU   4 -11.609 -11.720 -11.720
   24   2HG   GLU   4           HG1      GLU   4 -13.313 -11.915 -11.915
   25    H    LYS   5           HN       LYS   5 -11.265 -10.460 -10.460
   26    HA   LYS   5           HA       LYS   5  -8.778 -12.035 -12.035
   27   1HB   LYS   5           HB2      LYS   5 -11.112 -12.859 -12.859
   28   2HB   LYS   5           HB1      LYS   5  -9.632 -12.796 -12.796
   29   1HG   LYS   5           HG2      LYS   5  -8.747 -14.596 -14.596
   30   2HG   LYS   5           HG1      LYS   5  -9.225 -13.998 -13.998
   31   1HD   LYS   5           HD2      LYS   5 -11.246 -15.097 -15.097
   32   2HD   LYS   5           HD1      LYS   5 -11.399 -14.978 -14.978
   33   1HE   LYS   5           HE2      LYS   5 -10.738 -17.135 -17.135
   34   2HE   LYS   5           HE1      LYS   5  -9.135 -16.565 -16.565
   35   1HZ   LYS   5           HZ1      LYS   5 -10.334 -16.630 -16.630
   36   2HZ   LYS   5           HZ3      LYS   5 -11.165 -17.893 -17.893
   37   3HZ   LYS   5           HZ2      LYS   5  -9.471 -17.945 -17.945
   38    H    SER   6           HN       SER   6  -9.313  -9.250  -9.250
   39    HA   SER   6           HA       SER   6  -8.208  -8.630  -8.630
   40   1HB   SER   6           HB2      SER   6  -9.717  -6.859  -6.859
   41   2HB   SER   6           HB1      SER   6  -9.041  -6.327  -6.327
   42    HG   SER   6           HG       SER   6 -10.536  -7.415  -7.415
   43    H    TYR   7           HN       TYR   7  -6.052  -8.302  -8.302
   44    HA   TYR   7           HA       TYR   7  -5.025  -6.770  -6.770
   45   1HB   TYR   7           HB2      TYR   7  -2.916  -8.430  -8.430
   46   2HB   TYR   7           HB1      TYR   7  -3.998  -8.666  -8.666
   47    HD1  TYR   7           HD1      TYR   7  -3.829  -9.330  -9.330
   48    HD2  TYR   7           HD2      TYR   7  -5.198 -10.668 -10.668
   49    HE1  TYR   7           HE1      TYR   7  -4.677 -11.421 -11.421
   50    HE2  TYR   7           HE2      TYR   7  -6.045 -12.759 -12.759
   51    HH   TYR   7           HH       TYR   7  -6.802 -13.244 -13.244
   52    H    ALA   8           HN       ALA   8  -3.466  -5.251  -5.251
   53    HA   ALA   8           HA       ALA   8  -2.556  -5.028  -5.028
   54   1HB   ALA   8           HB3      ALA   8  -3.770  -3.061  -3.061
   55   2HB   ALA   8           HB2      ALA   8  -2.267  -2.502  -2.502
   56   3HB   ALA   8           HB1      ALA   8  -3.608  -3.015  -3.015
   57    H    GLU   9           HN       GLU   9  -0.335  -5.210  -5.210
   58    HA   GLU   9           HA       GLU   9   1.317  -4.176  -4.176
   59   1HB   GLU   9           HB2      GLU   9   2.647  -6.305  -6.305
   60   2HB   GLU   9           HB1      GLU   9   0.997  -6.490  -6.490
   61   1HG   GLU   9           HG2      GLU   9   0.402  -7.861  -7.861
   62   2HG   GLU   9           HG1      GLU   9   1.305  -6.920  -6.920
   63    H    GLY  10           HN       GLY  10   3.311  -3.464  -3.464
   64   1HA   GLY  10           HA2      GLY  10   4.474  -4.234  -4.234
   65   2HA   GLY  10           HA1      GLY  10   3.808  -2.605  -2.605
   66    HA   PRO  11           HA       PRO  11   8.063  -2.458  -2.458
   67   1HB   PRO  11           HB2      PRO  11   9.383  -1.400  -1.400
   68   2HB   PRO  11           HB1      PRO  11   9.287  -3.140  -3.140
   69   1HG   PRO  11           HG2      PRO  11   7.852  -1.532  -1.532
   70   2HG   PRO  11           HG1      PRO  11   8.262  -3.255  -3.255
   71   1HD   PRO  11           HD2      PRO  11   5.716  -2.146  -2.146
   72   2HD   PRO  11           HD1      PRO  11   6.215  -3.828  -3.828
   73    H    GLY  12           HN       GLY  12   5.575  -0.643  -0.643
   74   1HA   GLY  12           HA2      GLY  12   6.885   1.977   1.977
   75   2HA   GLY  12           HA1      GLY  12   5.461   1.773   1.773
   76    H    LEU  13           HN       LEU  13   5.587   3.455   3.455
   77    HA   LEU  13           HA       LEU  13   3.891   4.009   4.009
   78   1HB   LEU  13           HB2      LEU  13   2.002   2.847   2.847
   79   2HB   LEU  13           HB1      LEU  13   2.804   1.690   1.690
   80    HG   LEU  13           HG       LEU  13   3.027   1.477   1.477
   81   1HD1  LEU  13          HD12      LEU  13   0.607   1.646   1.646
   82   2HD1  LEU  13          HD11      LEU  13   0.933  -0.017  -0.017
   83   3HD1  LEU  13          HD13      LEU  13   0.992   0.427   0.427
   84   1HD2  LEU  13          HD22      LEU  13   3.062  -0.564  -0.564
   85   2HD2  LEU  13          HD21      LEU  13   4.472   0.006   0.006
   86   3HD2  LEU  13          HD23      LEU  13   3.234  -0.944  -0.944
   87    H    ASP  14           HN       ASP  14   6.036   1.345   1.345
   88    HA   ASP  14           HA       ASP  14   5.961   0.824   0.824
   89   1HB   ASP  14           HB2      ASP  14   8.586   1.312   1.312
   90   2HB   ASP  14           HB1      ASP  14   8.169   0.070   0.070
   91    H    GLY  15           HN       GLY  15   6.870   3.665   3.665
   92   1HA   GLY  15           HA2      GLY  15   7.097   5.853   5.853
   93   2HA   GLY  15           HA1      GLY  15   7.235   5.115   5.115
   94    H    GLY  16           HN       GLY  16   9.091   5.691   5.691
   95   1HA   GLY  16           HA2      GLY  16  11.409   5.879   5.879
   96   2HA   GLY  16           HA1      GLY  16  11.599   4.810   4.810
   97    H    GLU  17           HN       GLU  17  11.430   5.874   5.874
   98    HA   GLU  17           HA       GLU  17  12.509   8.653   8.653
   99   1HB   GLU  17           HB2      GLU  17  13.163   6.391   6.391
  100   2HB   GLU  17           HB1      GLU  17  13.611   8.044   8.044
  101   1HG   GLU  17           HG2      GLU  17  15.459   7.703   7.703
  102   2HG   GLU  17           HG1      GLU  17  14.386   7.696   7.696
  103    H    CYS  18           HN       CYS  18  11.797  10.188  10.188
  104    HA   CYS  18           HA       CYS  18   9.253   9.687   9.687
  105   1HB   CYS  18           HB2      CYS  18  10.778  12.137  12.137
  106   2HB   CYS  18           HB1      CYS  18   9.743  12.244  12.244
  107    HG   CYS  18           HG       CYS  18   8.639  12.553  12.553
  108    H    PHE  19           HN       PHE  19  12.604   9.941   9.941
  109    HA   PHE  19           HA       PHE  19  12.128  10.652  10.652
  110   1HB   PHE  19           HB2      PHE  19  14.612  10.154  10.154
  111   2HB   PHE  19           HB1      PHE  19  14.673  10.343  10.343
  112    HD1  PHE  19           HD2      PHE  19  12.737  11.917  11.917
  113    HD2  PHE  19           HD1      PHE  19  15.222  12.528  12.528
  114    HE1  PHE  19           HE2      PHE  19  12.443  14.350  14.350
  115    HE2  PHE  19           HE1      PHE  19  14.925  14.982  14.982
  116    HZ   PHE  19           HZ       PHE  19  13.519  15.869  15.869
  117    H    GLN  20           HN       GLN  20  11.499   7.973   7.973
  118    HA   GLN  20           HA       GLN  20  12.768   6.163   6.163
  119   1HB   GLN  20           HB2      GLN  20  11.565   5.818   5.818
  120   2HB   GLN  20           HB1      GLN  20  11.321   4.502   4.502
  121   1HG   GLN  20           HG2      GLN  20  13.726   4.323   4.323
  122   2HG   GLN  20           HG1      GLN  20  14.016   5.707   5.707
  123   1HE2  GLN  20          HE22      GLN  20  13.208   2.051   2.051
  124   2HE2  GLN  20          HE21      GLN  20  13.044   2.296   2.296
  125    HA   PRO  21           HA       PRO  21   9.015   6.162   6.162
  126   1HB   PRO  21           HB2      PRO  21   9.104   3.613   3.613
  127   2HB   PRO  21           HB1      PRO  21  10.083   4.959   4.959
  128   1HG   PRO  21           HG2      PRO  21  10.904   2.651   2.651
  129   2HG   PRO  21           HG1      PRO  21  11.857   3.566   3.566
  130   1HD   PRO  21           HD2      PRO  21  12.009   3.905   3.905
  131   2HD   PRO  21           HD1      PRO  21  12.542   5.104   5.104
  132    H    SER  22           HN       SER  22   6.929   5.927   5.927
  133    HA   SER  22           HA       SER  22   6.557   3.719   3.719
  134   1HB   SER  22           HB2      SER  22   6.016   6.412   6.412
  135   2HB   SER  22           HB1      SER  22   4.450   5.697   5.697
  136    HG   SER  22           HG       SER  22   6.189   4.899   4.899
  137    H    LYS  23           HN       LYS  23   5.739   1.944   1.944
  138    HA   LYS  23           HA       LYS  23   3.210   2.282   2.282
  139   1HB   LYS  23           HB2      LYS  23   5.366   0.614   0.614
  140   2HB   LYS  23           HB1      LYS  23   3.914   1.281   1.281
  141   1HG   LYS  23           HG2      LYS  23   5.530   2.712   2.712
  142   2HG   LYS  23           HG1      LYS  23   5.029   3.590   3.590
  143   1HD   LYS  23           HD2      LYS  23   7.300   3.614   3.614
  144   2HD   LYS  23           HD1      LYS  23   6.921   2.075   2.075
  145   1HE   LYS  23           HE2      LYS  23   7.195   1.355   1.355
  146   2HE   LYS  23           HE1      LYS  23   8.430   2.599   2.599
  147   1HZ   LYS  23           HZ2      LYS  23   8.956   1.310   1.310
  148   2HZ   LYS  23           HZ1      LYS  23   8.166   0.023   0.023
  149   3HZ   LYS  23           HZ3      LYS  23   9.537   0.727   0.727
  150    H    PHE  24           HN       PHE  24   1.876   0.565   0.565
  151    HA   PHE  24           HA       PHE  24   3.053  -1.974  -1.974
  152   1HB   PHE  24           HB2      PHE  24   0.636  -1.594  -1.594
  153   2HB   PHE  24           HB1      PHE  24   2.269  -1.786  -1.786
  154    HD1  PHE  24           HD1      PHE  24   3.773   0.404   0.404
  155    HD2  PHE  24           HD2      PHE  24  -0.499   0.332   0.332
  156    HE1  PHE  24           HE1      PHE  24   3.804   2.779   2.779
  157    HE2  PHE  24           HE2      PHE  24  -0.466   2.714   2.714
  158    HZ   PHE  24           HZ       PHE  24   1.696   3.921   3.921
  159    H    LYS  25           HN       LYS  25   1.516  -3.789  -3.789
  160    HA   LYS  25           HA       LYS  25  -0.490  -3.227  -3.227
  161   1HB   LYS  25           HB2      LYS  25   1.135  -5.721  -5.721
  162   2HB   LYS  25           HB1      LYS  25  -0.166  -5.662  -5.662
  163   1HG   LYS  25           HG2      LYS  25   1.189  -4.714  -4.714
  164   2HG   LYS  25           HG1      LYS  25   1.653  -3.446  -3.446
  165   1HD   LYS  25           HD2      LYS  25   3.532  -4.579  -4.579
  166   2HD   LYS  25           HD1      LYS  25   2.816  -6.165  -6.165
  167   1HE   LYS  25           HE2      LYS  25   4.121  -6.193  -6.193
  168   2HE   LYS  25           HE1      LYS  25   2.921  -5.093  -5.093
  169   1HZ   LYS  25           HZ3      LYS  25   4.902  -3.820  -3.820
  170   2HZ   LYS  25           HZ2      LYS  25   5.536  -4.532  -4.532
  171   3HZ   LYS  25           HZ1      LYS  25   4.308  -3.363  -3.363
  172    H    ILE  26           HN       ILE  26  -2.581  -4.010  -4.010
  173    HA   ILE  26           HA       ILE  26  -3.114  -5.092  -5.092
  174    HB   ILE  26           HB       ILE  26  -5.110  -3.804  -3.804
  175   1HG1  ILE  26          HG12      ILE  26  -3.158  -2.542  -2.542
  176   2HG1  ILE  26          HG11      ILE  26  -3.393  -2.153  -2.153
  177   1HG2  ILE  26          HG23      ILE  26  -5.847  -5.136  -5.136
  178   2HG2  ILE  26          HG22      ILE  26  -5.007  -3.950  -3.950
  179   3HG2  ILE  26          HG21      ILE  26  -6.363  -3.453  -3.453
  180   1HD1  ILE  26          HD12      ILE  26  -5.925  -1.830  -1.830
  181   2HD1  ILE  26          HD11      ILE  26  -4.818  -1.148  -1.148
  182   3HD1  ILE  26          HD13      ILE  26  -4.814  -0.539  -0.539
  183    H    HIS  27           HN       HIS  27  -4.551  -6.837  -6.837
  184    HA   HIS  27           HA       HIS  27  -5.434  -8.203  -8.203
  185   1HB   HIS  27           HB2      HIS  27  -4.559 -10.156 -10.156
  186   2HB   HIS  27           HB1      HIS  27  -4.082  -9.992  -9.992
  187    HD1  HIS  27           HD1      HIS  27  -2.406  -7.638  -7.638
  188    HD2  HIS  27           HD2      HIS  27  -2.323  -9.925  -9.925
  189    HE1  HIS  27           HE1      HIS  27  -0.265  -7.042  -7.042
  190    H    ALA  28           HN       ALA  28  -7.575  -8.536  -8.536
  191    HA   ALA  28           HA       ALA  28  -8.674  -8.936  -8.936
  192   1HB   ALA  28           HB2      ALA  28  -9.692  -7.694  -7.694
  193   2HB   ALA  28           HB1      ALA  28 -10.870  -8.562  -8.562
  194   3HB   ALA  28           HB3      ALA  28  -9.957  -7.222  -7.222
  195    H    VAL  29           HN       VAL  29  -9.765 -10.855 -10.855
  196    HA   VAL  29           HA       VAL  29 -10.163 -12.788 -12.788
  197    HB   VAL  29           HB       VAL  29  -8.708 -13.102 -13.102
  198   1HG1  VAL  29          HG13      VAL  29 -10.741 -15.216 -15.216
  199   2HG1  VAL  29          HG12      VAL  29  -9.502 -15.401 -15.401
  200   3HG1  VAL  29          HG11      VAL  29 -10.807 -14.236 -14.236
  201   1HG2  VAL  29          HG22      VAL  29  -7.839 -13.528 -13.528
  202   2HG2  VAL  29          HG21      VAL  29  -7.681 -14.925 -14.925
  203   3HG2  VAL  29          HG23      VAL  29  -8.970 -14.875 -14.875
  204    H    ASP  30           HN       ASP  30 -12.213 -13.538 -13.538
  205    HA   ASP  30           HA       ASP  30 -14.113 -12.719 -12.719
  206   1HB   ASP  30           HB2      ASP  30 -15.641 -12.239 -12.239
  207   2HB   ASP  30           HB1      ASP  30 -14.189 -12.061 -12.061
  208    HA   PRO  31           HA       PRO  31 -15.295 -16.861 -16.861
  209   1HB   PRO  31           HB2      PRO  31 -18.027 -16.937 -16.937
  210   2HB   PRO  31           HB1      PRO  31 -17.205 -16.161 -16.161
  211   1HG   PRO  31           HG2      PRO  31 -18.545 -14.902 -14.902
  212   2HG   PRO  31           HG1      PRO  31 -18.263 -14.242 -14.242
  213   1HD   PRO  31           HD2      PRO  31 -16.776 -13.634 -13.634
  214   2HD   PRO  31           HD1      PRO  31 -16.319 -13.224 -13.224
  215    H    ASP  32           HN       ASP  32 -14.996 -16.102 -16.102
  216    HA   ASP  32           HA       ASP  32 -16.320 -18.617 -18.617
  217   1HB   ASP  32           HB2      ASP  32 -15.768 -15.997 -15.997
  218   2HB   ASP  32           HB1      ASP  32 -16.087 -17.483 -17.483
  219    H    GLY  33           HN       GLY  33 -13.457 -17.615 -17.615
  220   1HA   GLY  33           HA2      GLY  33 -11.284 -18.480 -18.480
  221   2HA   GLY  33           HA1      GLY  33 -11.950 -19.560 -19.560
  222    H    VAL  34           HN       VAL  34 -12.327 -16.079 -16.079
  223    HA   VAL  34           HA       VAL  34 -10.470 -15.667 -15.667
  224    HB   VAL  34           HB       VAL  34 -13.252 -14.595 -14.595
  225   1HG1  VAL  34          HG13      VAL  34 -10.859 -15.157 -15.157
  226   2HG1  VAL  34          HG12      VAL  34 -12.393 -15.537 -15.537
  227   3HG1  VAL  34          HG11      VAL  34 -12.085 -13.904 -13.904
  228   1HG2  VAL  34          HG22      VAL  34 -12.431 -17.476 -17.476
  229   2HG2  VAL  34          HG21      VAL  34 -13.779 -16.885 -16.885
  230   3HG2  VAL  34          HG23      VAL  34 -13.826 -16.738 -16.738
  231    H    HIS  35           HN       HIS  35 -10.936 -13.131 -13.131
  232    HA   HIS  35           HA       HIS  35 -10.656 -11.707 -11.707
  233   1HB   HIS  35           HB2      HIS  35 -10.018 -10.965 -10.965
  234   2HB   HIS  35           HB1      HIS  35  -9.994  -9.776  -9.776
  235    HD1  HIS  35           HD1      HIS  35  -8.991 -12.788 -12.788
  236    HD2  HIS  35           HD2      HIS  35  -7.049 -10.092 -10.092
  237    HE1  HIS  35           HE1      HIS  35  -6.501 -13.157 -13.157
  238    H    ARG  36           HN       ARG  36 -13.159 -12.444 -12.444
  239    HA   ARG  36           HA       ARG  36 -15.378 -11.739 -11.739
  240   1HB   ARG  36           HB2      ARG  36 -13.823  -9.539  -9.539
  241   2HB   ARG  36           HB1      ARG  36 -14.933  -8.911  -8.911
  242   1HG   ARG  36           HG2      ARG  36 -16.699 -10.382 -10.382
  243   2HG   ARG  36           HG1      ARG  36 -15.552 -10.228 -10.228
  244   1HD   ARG  36           HD2      ARG  36 -17.176  -8.409  -8.409
  245   2HD   ARG  36           HD1      ARG  36 -15.601  -7.745  -7.745
  246    HE   ARG  36           HE       ARG  36 -16.525  -7.088  -7.088
  247   1HH1  ARG  36          HH11      ARG  36 -18.531  -9.361  -9.361
  248   2HH1  ARG  36          HH12      ARG  36 -19.743  -9.387  -9.387
  249   1HH2  ARG  36          HH21      ARG  36 -18.044  -7.201  -7.201
  250   2HH2  ARG  36          HH22      ARG  36 -19.467  -8.167  -8.167
  251    H    THR  37           HN       THR  37 -15.030 -12.790 -12.790
  252    HA   THR  37           HA       THR  37 -15.239 -12.670 -12.670
  253    HB   THR  37           HB       THR  37 -17.096 -10.506 -10.506
  254    HG1  THR  37           HG1      THR  37 -18.537 -11.414 -11.414
  255   1HG2  THR  37          HG21      THR  37 -16.901 -13.319 -13.319
  256   2HG2  THR  37          HG23      THR  37 -18.445 -12.988 -12.988
  257   3HG2  THR  37          HG22      THR  37 -18.009 -12.136 -12.136
  258    H    ASP  38           HN       ASP  38 -13.040 -11.730 -11.730
  259    HA   ASP  38           HA       ASP  38 -12.204  -9.129  -9.129
  260   1HB   ASP  38           HB2      ASP  38 -11.290 -11.383 -11.383
  261   2HB   ASP  38           HB1      ASP  38 -11.529 -10.217 -10.217
  262    H    GLY  39           HN       GLY  39 -12.105  -7.352  -7.352
  263   1HA   GLY  39           HA2      GLY  39 -12.995  -6.272  -6.272
  264   2HA   GLY  39           HA1      GLY  39 -14.393  -7.342  -7.342
  265    H    GLY  40           HN       GLY  40 -15.098  -7.029  -7.029
  266   1HA   GLY  40           HA2      GLY  40 -15.507  -4.089  -4.089
  267   2HA   GLY  40           HA1      GLY  40 -16.907  -5.158  -5.158
  268    H    ASP  41           HN       ASP  41 -13.708  -4.915  -4.915
  269    HA   ASP  41           HA       ASP  41 -14.959  -6.093  -6.093
  270   1HB   ASP  41           HB2      ASP  41 -12.115  -5.261  -5.261
  271   2HB   ASP  41           HB1      ASP  41 -12.601  -5.806  -5.806
  272    H    GLY  42           HN       GLY  42 -15.750  -4.818  -4.818
  273   1HA   GLY  42           HA2      GLY  42 -15.783  -1.945  -1.945
  274   2HA   GLY  42           HA1      GLY  42 -16.295  -2.852  -2.852
  275    H    PHE  43           HN       PHE  43 -13.286  -2.072  -2.072
  276    HA   PHE  43           HA       PHE  43 -11.869  -2.009  -2.009
  277   1HB   PHE  43           HB2      PHE  43 -11.242  -3.109  -3.109
  278   2HB   PHE  43           HB1      PHE  43 -10.173  -1.723  -1.723
  279    HD1  PHE  43           HD1      PHE  43  -9.734  -1.639  -1.639
  280    HD2  PHE  43           HD2      PHE  43  -9.951  -5.000  -5.000
  281    HE1  PHE  43           HE1      PHE  43  -8.291  -2.955  -2.955
  282    HE2  PHE  43           HE2      PHE  43  -8.500  -6.306  -6.306
  283    HZ   PHE  43           HZ       PHE  43  -7.677  -5.289  -5.289
  284    H    VAL  44           HN       VAL  44 -11.575  -0.046  -0.046
  285    HA   VAL  44           HA       VAL  44 -10.961   2.215   2.215
  286    HB   VAL  44           HB       VAL  44 -13.028   2.993   2.993
  287   1HG1  VAL  44          HG12      VAL  44 -12.666   0.991   0.991
  288   2HG1  VAL  44          HG11      VAL  44 -13.432   2.455   2.455
  289   3HG1  VAL  44          HG13      VAL  44 -14.149   1.576   1.576
  290   1HG2  VAL  44          HG23      VAL  44 -11.092   4.415   4.415
  291   2HG2  VAL  44          HG22      VAL  44 -12.722   4.692   4.692
  292   3HG2  VAL  44          HG21      VAL  44 -11.582   3.723   3.723
  293    H    VAL  45           HN       VAL  45  -8.853   2.674   2.674
  294    HA   VAL  45           HA       VAL  45  -7.881   2.558   2.558
  295    HB   VAL  45           HB       VAL  45  -6.198   2.082   2.082
  296   1HG1  VAL  45          HG12      VAL  45  -5.752   1.653   1.653
  297   2HG1  VAL  45          HG11      VAL  45  -4.651   1.093   1.093
  298   3HG1  VAL  45          HG13      VAL  45  -4.927   2.820   2.820
  299   1HG2  VAL  45          HG21      VAL  45  -8.174   0.388   0.388
  300   2HG2  VAL  45          HG23      VAL  45  -6.792  -0.102  -0.102
  301   3HG2  VAL  45          HG22      VAL  45  -6.709  -0.211  -0.211
  302    H    THR  46           HN       THR  46  -6.464   4.247   4.247
  303    HA   THR  46           HA       THR  46  -5.822   6.344   6.344
  304    HB   THR  46           HB       THR  46  -7.141   7.734   7.734
  305    HG1  THR  46           HG1      THR  46  -8.983   6.102   6.102
  306   1HG2  THR  46          HG23      THR  46  -6.750   8.137   8.137
  307   2HG2  THR  46          HG22      THR  46  -8.334   7.374   7.374
  308   3HG2  THR  46          HG21      THR  46  -8.142   8.847   8.847
  309    H    ILE  47           HN       ILE  47  -3.934   7.167   7.167
  310    HA   ILE  47           HA       ILE  47  -3.070   7.138   7.138
  311    HB   ILE  47           HB       ILE  47  -1.561   6.578   6.578
  312   1HG1  ILE  47          HG12      ILE  47  -2.136   5.223   5.223
  313   2HG1  ILE  47          HG11      ILE  47  -1.739   4.530   4.530
  314   1HG2  ILE  47          HG22      ILE  47  -0.384   8.491   8.491
  315   2HG2  ILE  47          HG21      ILE  47  -0.332   7.644   7.644
  316   3HG2  ILE  47          HG23      ILE  47   0.567   7.022   7.022
  317   1HD1  ILE  47          HD11      ILE  47   0.655   5.404   5.404
  318   2HD1  ILE  47          HD13      ILE  47   0.154   5.587   5.587
  319   3HD1  ILE  47          HD12      ILE  47   0.141   3.993   3.993
  320    H    GLU  48           HN       GLU  48  -1.713   8.981   8.981
  321    HA   GLU  48           HA       GLU  48  -1.244  11.103  11.103
  322   1HB   GLU  48           HB2      GLU  48  -2.894  12.669  12.669
  323   2HB   GLU  48           HB1      GLU  48  -3.397  11.900  11.900
  324   1HG   GLU  48           HG2      GLU  48  -4.755  10.408  10.408
  325   2HG   GLU  48           HG1      GLU  48  -3.641  10.209  10.209
  326    H    GLY  49           HN       GLY  49  -0.166  12.886  12.886
  327   1HA   GLY  49           HA2      GLY  49   0.371  12.976  12.976
  328   2HA   GLY  49           HA1      GLY  49   1.747  12.424  12.424
  329    HA   PRO  50           HA       PRO  50   1.732  17.056  17.056
  330   1HB   PRO  50           HB2      PRO  50   4.310  17.321  17.321
  331   2HB   PRO  50           HB1      PRO  50   2.891  17.251  17.251
  332   1HG   PRO  50           HG2      PRO  50   4.932  15.142  15.142
  333   2HG   PRO  50           HG1      PRO  50   3.950  15.401  15.401
  334   1HD   PRO  50           HD2      PRO  50   3.455  13.458  13.458
  335   2HD   PRO  50           HD1      PRO  50   2.292  14.001  14.001
  336    H    ALA  51           HN       ALA  51   1.732  16.216  16.216
  337    HA   ALA  51           HA       ALA  51   4.212  17.121  17.121
  338   1HB   ALA  51           HB3      ALA  51   3.997  14.417  14.417
  339   2HB   ALA  51           HB2      ALA  51   3.390  14.529  14.529
  340   3HB   ALA  51           HB1      ALA  51   5.005  15.121  15.121
  341    HA   PRO  52           HA       PRO  52   1.460  18.097  18.097
  342   1HB   PRO  52           HB2      PRO  52   2.838  17.344  17.344
  343   2HB   PRO  52           HB1      PRO  52   3.264  18.755  18.755
  344   1HG   PRO  52           HG2      PRO  52   4.628  16.109  16.109
  345   2HG   PRO  52           HG1      PRO  52   5.296  17.689  17.689
  346   1HD   PRO  52           HD2      PRO  52   4.607  15.618  15.618
  347   2HD   PRO  52           HD1      PRO  52   4.974  17.302  17.302
  348    H    VAL  53           HN       VAL  53   2.919  14.958  14.958
  349    HA   VAL  53           HA       VAL  53   0.313  14.081  14.081
  350    HB   VAL  53           HB       VAL  53   2.715  12.293  12.293
  351   1HG1  VAL  53          HG11      VAL  53   0.200  12.357  12.357
  352   2HG1  VAL  53          HG13      VAL  53   1.470  12.475  12.475
  353   3HG1  VAL  53          HG12      VAL  53   1.452  11.118  11.118
  354   1HG2  VAL  53          HG21      VAL  53   2.416  14.731  14.731
  355   2HG2  VAL  53          HG23      VAL  53   3.761  14.338  14.338
  356   3HG2  VAL  53          HG22      VAL  53   3.493  13.391  13.391
  357    H    ASP  54           HN       ASP  54  -0.624  14.149  14.149
  358    HA   ASP  54           HA       ASP  54   0.355  12.011  12.011
  359   1HB   ASP  54           HB2      ASP  54  -1.847  14.066  14.066
  360   2HB   ASP  54           HB1      ASP  54  -1.457  12.855  12.855
  361    HA   PRO  55           HA       PRO  55  -3.969  10.282  10.282
  362   1HB   PRO  55           HB2      PRO  55  -5.352  11.451  11.451
  363   2HB   PRO  55           HB1      PRO  55  -5.496  11.974  11.974
  364   1HG   PRO  55           HG2      PRO  55  -4.101  13.312  13.312
  365   2HG   PRO  55           HG1      PRO  55  -4.760  14.017  14.017
  366   1HD   PRO  55           HD2      PRO  55  -2.023  13.438  13.438
  367   2HD   PRO  55           HD1      PRO  55  -2.723  13.924  13.924
  368    H    VAL  56           HN       VAL  56  -2.587   8.566   8.566
  369    HA   VAL  56           HA       VAL  56  -2.650   8.507   8.507
  370    HB   VAL  56           HB       VAL  56  -0.428   7.378   7.378
  371   1HG1  VAL  56          HG11      VAL  56  -1.148   7.482   7.482
  372   2HG1  VAL  56          HG13      VAL  56   0.390   8.309   8.309
  373   3HG1  VAL  56          HG12      VAL  56   0.197   6.633   6.633
  374   1HG2  VAL  56          HG21      VAL  56  -0.866  10.196  10.196
  375   2HG2  VAL  56          HG23      VAL  56  -0.244   9.654   9.654
  376   3HG2  VAL  56          HG22      VAL  56   0.770   9.550   9.550
  377    H    MET  57           HN       MET  57  -4.461   7.015   7.015
  378    HA   MET  57           HA       MET  57  -3.539   4.294   4.294
  379   1HB   MET  57           HB2      MET  57  -5.511   3.742   3.742
  380   2HB   MET  57           HB1      MET  57  -4.944   5.271   5.271
  381   1HG   MET  57           HG2      MET  57  -6.996   6.105   6.105
  382   2HG   MET  57           HG1      MET  57  -6.601   5.996   5.996
  383   1HE   MET  57           HE2      MET  57  -8.021   5.437   5.437
  384   2HE   MET  57           HE1      MET  57  -7.656   3.742   3.742
  385   3HE   MET  57           HE3      MET  57  -9.313   4.240   4.240
  386    H    VAL  58           HN       VAL  58  -4.133   2.761   2.761
  387    HA   VAL  58           HA       VAL  58  -6.199   3.517   3.517
  388    HB   VAL  58           HB       VAL  58  -3.914   2.000   2.000
  389   1HG1  VAL  58          HG12      VAL  58  -6.066   3.528   3.528
  390   2HG1  VAL  58          HG11      VAL  58  -4.638   4.498   4.498
  391   3HG1  VAL  58          HG13      VAL  58  -4.760   2.848   2.848
  392   1HG2  VAL  58          HG23      VAL  58  -3.609   4.910   4.910
  393   2HG2  VAL  58          HG22      VAL  58  -2.682   3.552   3.552
  394   3HG2  VAL  58          HG21      VAL  58  -2.494   4.034   4.034
  395    H    ASP  59           HN       ASP  59  -7.113   1.679   1.679
  396    HA   ASP  59           HA       ASP  59  -6.909  -0.856  -0.856
  397   1HB   ASP  59           HB2      ASP  59  -9.146   0.021   0.021
  398   2HB   ASP  59           HB1      ASP  59  -9.142   0.330   0.330
  399    H    ASN  60           HN       ASN  60  -6.115  -2.637  -2.637
  400    HA   ASN  60           HA       ASN  60  -5.391  -2.310  -2.310
  401   1HB   ASN  60           HB2      ASN  60  -4.373  -3.805  -3.805
  402   2HB   ASN  60           HB1      ASN  60  -4.689  -4.898  -4.898
  403   1HD2  ASN  60          HD22      ASN  60  -2.153  -3.509  -3.509
  404   2HD2  ASN  60          HD21      ASN  60  -3.541  -4.484  -4.484
  405    H    GLY  61           HN       GLY  61  -8.103  -3.407  -3.407
  406   1HA   GLY  61           HA2      GLY  61  -9.948  -4.608  -4.608
  407   2HA   GLY  61           HA1      GLY  61  -9.211  -4.521  -4.521
  408    H    ASP  62           HN       ASP  62  -7.067  -5.856  -5.856
  409    HA   ASP  62           HA       ASP  62  -7.760  -8.602  -8.602
  410   1HB   ASP  62           HB2      ASP  62  -5.374  -9.140  -9.140
  411   2HB   ASP  62           HB1      ASP  62  -5.550  -7.783  -7.783
  412    H    GLY  63           HN       GLY  63  -8.999  -7.356  -7.356
  413   1HA   GLY  63           HA2      GLY  63  -9.577  -8.000  -8.000
  414   2HA   GLY  63           HA1      GLY  63  -8.628  -9.462  -9.462
  415    H    THR  64           HN       THR  64  -6.761  -6.755  -6.755
  416    HA   THR  64           HA       THR  64  -5.762  -6.545  -6.545
  417    HB   THR  64           HB       THR  64  -3.490  -6.825  -6.825
  418    HG1  THR  64           HG1      THR  64  -2.912  -6.972  -6.972
  419   1HG2  THR  64          HG22      THR  64  -5.074  -8.885  -8.885
  420   2HG2  THR  64          HG21      THR  64  -4.888  -8.972  -8.972
  421   3HG2  THR  64          HG23      THR  64  -3.474  -9.111  -9.111
  422    H    TYR  65           HN       TYR  65  -4.752  -4.513  -4.513
  423    HA   TYR  65           HA       TYR  65  -5.091  -2.500  -2.500
  424   1HB   TYR  65           HB2      TYR  65  -5.737  -2.213  -2.213
  425   2HB   TYR  65           HB1      TYR  65  -5.774  -0.886  -0.886
  426    HD1  TYR  65           HD2      TYR  65  -6.989  -4.436  -4.436
  427    HD2  TYR  65           HD1      TYR  65  -7.828  -0.405  -0.405
  428    HE1  TYR  65           HE2      TYR  65  -9.205  -5.142  -5.142
  429    HE2  TYR  65           HE1      TYR  65 -10.054  -1.110  -1.110
  430    HH   TYR  65           HH       TYR  65 -11.053  -3.453  -3.453
  431    H    ASP  66           HN       ASP  66  -3.646  -0.672  -0.672
  432    HA   ASP  66           HA       ASP  66  -1.218  -1.167  -1.167
  433   1HB   ASP  66           HB2      ASP  66  -1.107  -1.666  -1.666
  434   2HB   ASP  66           HB1      ASP  66  -1.057   0.090   0.090
  435    H    VAL  67           HN       VAL  67  -0.764   0.554   0.554
  436    HA   VAL  67           HA       VAL  67  -1.795   3.205   3.205
  437    HB   VAL  67           HB       VAL  67  -2.365   3.733   3.733
  438   1HG1  VAL  67          HG12      VAL  67  -3.638   1.747   1.747
  439   2HG1  VAL  67          HG11      VAL  67  -2.901   0.779   0.779
  440   3HG1  VAL  67          HG13      VAL  67  -3.978   2.112   2.112
  441   1HG2  VAL  67          HG22      VAL  67  -0.319   1.728   1.728
  442   2HG2  VAL  67          HG21      VAL  67  -0.752   3.205   3.205
  443   3HG2  VAL  67          HG23      VAL  67  -1.706   1.740   1.740
  444    H    GLU  68           HN       GLU  68  -0.266   4.981   4.981
  445    HA   GLU  68           HA       GLU  68   2.363   4.330   4.330
  446   1HB   GLU  68           HB2      GLU  68   2.381   5.416   5.416
  447   2HB   GLU  68           HB1      GLU  68   3.646   4.535   4.535
  448   1HG   GLU  68           HG2      GLU  68   2.839   2.909   2.909
  449   2HG   GLU  68           HG1      GLU  68   1.891   2.564   2.564
  450    H    PHE  69           HN       PHE  69   3.186   6.093   6.093
  451    HA   PHE  69           HA       PHE  69   2.646   8.752   8.752
  452   1HB   PHE  69           HB2      PHE  69   2.228   9.819   9.819
  453   2HB   PHE  69           HB1      PHE  69   1.077   8.501   8.501
  454    HD1  PHE  69           HD2      PHE  69   2.178   6.119   6.119
  455    HD2  PHE  69           HD1      PHE  69   3.165  10.039  10.039
  456    HE1  PHE  69           HE2      PHE  69   3.001   5.145   5.145
  457    HE2  PHE  69           HE1      PHE  69   3.980   9.058   9.058
  458    HZ   PHE  69           HZ       PHE  69   3.880   6.597   6.597
  459    H    GLU  70           HN       GLU  70   4.410  10.319  10.319
  460    HA   GLU  70           HA       GLU  70   6.808   9.129   9.129
  461   1HB   GLU  70           HB2      GLU  70   6.827   8.469   8.469
  462   2HB   GLU  70           HB1      GLU  70   6.873  10.181  10.181
  463   1HG   GLU  70           HG2      GLU  70   8.970  10.442  10.442
  464   2HG   GLU  70           HG1      GLU  70   8.926   8.728   8.728
  465    HA   PRO  71           HA       PRO  71   6.552  13.586  13.586
  466   1HB   PRO  71           HB2      PRO  71   7.436  13.275  13.275
  467   2HB   PRO  71           HB1      PRO  71   5.743  13.080  13.080
  468   1HG   PRO  71           HG2      PRO  71   7.740  10.987  10.987
  469   2HG   PRO  71           HG1      PRO  71   5.973  10.935  10.935
  470   1HD   PRO  71           HD2      PRO  71   7.565   9.738   9.738
  471   2HD   PRO  71           HD1      PRO  71   5.800   9.937   9.937
  472    H    LYS  72           HN       LYS  72   8.338  15.021  15.021
  473    HA   LYS  72           HA       LYS  72  11.099  13.969  13.969
  474   1HB   LYS  72           HB2      LYS  72  10.049  16.606  16.606
  475   2HB   LYS  72           HB1      LYS  72  11.700  16.008  16.008
  476   1HG   LYS  72           HG2      LYS  72  10.985  15.181  15.181
  477   2HG   LYS  72           HG1      LYS  72  10.274  13.901  13.901
  478   1HD   LYS  72           HD2      LYS  72   8.157  15.135  15.135
  479   2HD   LYS  72           HD1      LYS  72   8.859  16.460  16.460
  480   1HE   LYS  72           HE2      LYS  72   9.416  14.421  14.421
  481   2HE   LYS  72           HE1      LYS  72   7.962  13.775  13.775
  482   1HZ   LYS  72           HZ2      LYS  72   7.340  16.376  16.376
  483   2HZ   LYS  72           HZ1      LYS  72   8.234  15.923  15.923
  484   3HZ   LYS  72           HZ3      LYS  72   6.854  15.042  15.042
  485    H    GLU  73           HN       GLU  73   9.590  14.612  14.612
  486    HA   GLU  73           HA       GLU  73  11.640  16.360  16.360
  487   1HB   GLU  73           HB2      GLU  73  10.016  17.905  17.905
  488   2HB   GLU  73           HB1      GLU  73   9.831  17.911  17.911
  489   1HG   GLU  73           HG2      GLU  73   7.805  16.810  16.810
  490   2HG   GLU  73           HG1      GLU  73   8.198  15.951  15.951
  491    H    ALA  74           HN       ALA  74  10.409  16.676  16.676
  492    HA   ALA  74           HA       ALA  74  10.376  13.884  13.884
  493   1HB   ALA  74           HB2      ALA  74  11.635  15.919  15.919
  494   2HB   ALA  74           HB1      ALA  74  10.046  16.310  16.310
  495   3HB   ALA  74           HB3      ALA  74  10.801  14.763  14.763
  496    H    GLY  75           HN       GLY  75   8.403  12.895  12.895
  497   1HA   GLY  75           HA2      GLY  75   6.058  14.416  14.416
  498   2HA   GLY  75           HA1      GLY  75   5.997  13.902  13.902
  499    H    ASP  76           HN       ASP  76   4.132  13.033  13.033
  500    HA   ASP  76           HA       ASP  76   4.873  10.167  10.167
  501   1HB   ASP  76           HB2      ASP  76   2.967  10.163  10.163
  502   2HB   ASP  76           HB1      ASP  76   4.237  11.298  11.298
  503    H    TYR  77           HN       TYR  77   3.171   8.633   8.633
  504    HA   TYR  77           HA       TYR  77   1.520   9.635   9.635
  505   1HB   TYR  77           HB2      TYR  77   2.218   6.759   6.759
  506   2HB   TYR  77           HB1      TYR  77   1.661   7.494   7.494
  507    HD1  TYR  77           HD1      TYR  77   3.477   9.992   9.992
  508    HD2  TYR  77           HD2      TYR  77   4.172   5.771   5.771
  509    HE1  TYR  77           HE1      TYR  77   5.795  10.330  10.330
  510    HE2  TYR  77           HE2      TYR  77   6.487   6.093   6.093
  511    HH   TYR  77           HH       TYR  77   7.703   7.969   7.969
  512    H    VAL  78           HN       VAL  78  -0.585   9.274   9.274
  513    HA   VAL  78           HA       VAL  78  -1.769   7.654   7.654
  514    HB   VAL  78           HB       VAL  78  -2.620   9.818   9.818
  515   1HG1  VAL  78          HG12      VAL  78  -2.449   9.986   9.986
  516   2HG1  VAL  78          HG11      VAL  78  -3.621  11.014  11.014
  517   3HG1  VAL  78          HG13      VAL  78  -1.906  11.142  11.142
  518   1HG2  VAL  78          HG23      VAL  78  -4.383   8.077   8.077
  519   2HG2  VAL  78          HG22      VAL  78  -4.967   9.687   9.687
  520   3HG2  VAL  78          HG21      VAL  78  -4.573   8.531   8.531
  521    H    ILE  79           HN       ILE  79  -2.748   5.848   5.848
  522    HA   ILE  79           HA       ILE  79  -3.164   5.831   5.831
  523    HB   ILE  79           HB       ILE  79  -1.304   4.510   4.510
  524   1HG1  ILE  79          HG12      ILE  79  -2.931   2.155   2.155
  525   2HG1  ILE  79          HG11      ILE  79  -3.580   3.196   3.196
  526   1HG2  ILE  79          HG21      ILE  79  -2.724   3.530   3.530
  527   2HG2  ILE  79          HG23      ILE  79  -1.217   2.837   2.837
  528   3HG2  ILE  79          HG22      ILE  79  -1.273   4.525   4.525
  529   1HD1  ILE  79          HD11      ILE  79  -0.708   3.000   3.000
  530   2HD1  ILE  79          HD13      ILE  79  -1.437   1.394   1.394
  531   3HD1  ILE  79          HD12      ILE  79  -1.950   2.591   2.591
  532    H    ASN  80           HN       ASN  80  -4.803   4.437   4.437
  533    HA   ASN  80           HA       ASN  80  -6.963   3.643   3.643
  534   1HB   ASN  80           HB2      ASN  80  -7.566   5.525   5.525
  535   2HB   ASN  80           HB1      ASN  80  -8.591   5.089   5.089
  536   1HD2  ASN  80          HD22      ASN  80  -5.846   8.056   8.056
  537   2HD2  ASN  80          HD21      ASN  80  -5.915   7.158   7.158
  538    H    LEU  81           HN       LEU  81  -7.429   1.663   1.663
  539    HA   LEU  81           HA       LEU  81  -7.863   1.200   1.200
  540   1HB   LEU  81           HB2      LEU  81  -5.836   0.040   0.040
  541   2HB   LEU  81           HB1      LEU  81  -6.217  -0.434  -0.434
  542    HG   LEU  81           HG       LEU  81  -7.978  -1.405  -1.405
  543   1HD1  LEU  81          HD11      LEU  81  -5.137  -2.093  -2.093
  544   2HD1  LEU  81          HD13      LEU  81  -6.239  -3.458  -3.458
  545   3HD1  LEU  81          HD12      LEU  81  -6.122  -2.241  -2.241
  546   1HD2  LEU  81          HD22      LEU  81  -7.198  -2.157  -2.157
  547   2HD2  LEU  81          HD21      LEU  81  -8.796  -2.139  -2.139
  548   3HD2  LEU  81          HD23      LEU  81  -7.675  -3.449  -3.449
  549    H    THR  82           HN       THR  82  -9.788   0.204   0.204
  550    HA   THR  82           HA       THR  82 -11.128  -1.172  -1.172
  551    HB   THR  82           HB       THR  82 -13.228   0.186   0.186
  552    HG1  THR  82           HG1      THR  82 -11.384   1.192   1.192
  553   1HG2  THR  82          HG22      THR  82 -11.027   0.775   0.775
  554   2HG2  THR  82          HG21      THR  82 -11.874   2.237   2.237
  555   3HG2  THR  82          HG23      THR  82 -12.763   0.928   0.928
  556    H    LEU  83           HN       LEU  83 -12.320  -2.902  -2.902
  557    HA   LEU  83           HA       LEU  83 -13.119  -3.136  -3.136
  558   1HB   LEU  83           HB2      LEU  83 -10.942  -4.389  -4.389
  559   2HB   LEU  83           HB1      LEU  83 -11.866  -5.457  -5.457
  560    HG   LEU  83           HG       LEU  83 -11.532  -6.201  -6.201
  561   1HD1  LEU  83          HD13      LEU  83 -13.239  -7.061  -7.061
  562   2HD1  LEU  83          HD12      LEU  83 -14.413  -6.030  -6.030
  563   3HD1  LEU  83          HD11      LEU  83 -13.622  -7.332  -7.332
  564   1HD2  LEU  83          HD22      LEU  83 -12.382  -3.741  -3.741
  565   2HD2  LEU  83          HD21      LEU  83 -12.737  -5.126  -5.126
  566   3HD2  LEU  83          HD23      LEU  83 -13.958  -4.522  -4.522
  567    H    ASP  84           HN       ASP  84 -15.185  -2.562  -2.562
  568    HA   ASP  84           HA       ASP  84 -17.221  -4.197  -4.197
  569   1HB   ASP  84           HB2      ASP  84 -15.591  -5.056  -5.056
  570   2HB   ASP  84           HB1      ASP  84 -17.349  -5.165  -5.165
  571    H    GLY  85           HN       GLY  85 -15.511  -1.869  -1.869
  572   1HA   GLY  85           HA2      GLY  85 -17.001   0.214   0.214
  573   2HA   GLY  85           HA1      GLY  85 -18.047  -0.887  -0.887
  574    H    ASP  86           HN       ASP  86 -14.944  -1.977  -1.977
  575    HA   ASP  86           HA       ASP  86 -14.556  -0.171  -0.171
  576   1HB   ASP  86           HB2      ASP  86 -13.975  -2.067  -2.067
  577   2HB   ASP  86           HB1      ASP  86 -15.519  -2.448  -2.448
  578    H    ASN  87           HN       ASN  87 -12.117  -0.640  -0.640
  579    HA   ASN  87           HA       ASN  87 -10.490  -0.825  -0.825
  580   1HB   ASN  87           HB2      ASN  87  -8.847   0.480   0.480
  581   2HB   ASN  87           HB1      ASN  87  -9.912   1.302   1.302
  582   1HD2  ASN  87          HD22      ASN  87 -11.070   1.107   1.107
  583   2HD2  ASN  87          HD21      ASN  87 -10.053  -0.103  -0.103
  584    H    VAL  88           HN       VAL  88  -8.283  -1.643  -1.643
  585    HA   VAL  88           HA       VAL  88  -8.361  -4.130  -4.130
  586    HB   VAL  88           HB       VAL  88  -6.210  -2.591  -2.591
  587   1HG1  VAL  88          HG12      VAL  88  -5.089  -3.619  -3.619
  588   2HG1  VAL  88          HG11      VAL  88  -5.780  -5.180  -5.180
  589   3HG1  VAL  88          HG13      VAL  88  -4.612  -4.403  -4.403
  590   1HG2  VAL  88          HG23      VAL  88  -8.059  -4.141  -4.141
  591   2HG2  VAL  88          HG22      VAL  88  -6.400  -4.318  -4.318
  592   3HG2  VAL  88          HG21      VAL  88  -7.051  -5.450  -5.450
  593    H    ASN  89           HN       ASN  89  -6.551  -4.694  -4.694
  594    HA   ASN  89           HA       ASN  89  -6.846  -2.780  -2.780
  595   1HB   ASN  89           HB2      ASN  89  -6.703  -5.507  -5.507
  596   2HB   ASN  89           HB1      ASN  89  -5.068  -5.093  -5.093
  597   1HD2  ASN  89          HD22      ASN  89  -6.068  -4.014  -4.014
  598   2HD2  ASN  89          HD21      ASN  89  -4.792  -4.150  -4.150
  599    H    GLY  90           HN       GLY  90  -5.054  -2.126  -2.126
  600   1HA   GLY  90           HA2      GLY  90  -2.783  -1.167  -1.167
  601   2HA   GLY  90           HA1      GLY  90  -2.368  -2.189  -2.189
  602    H    PHE  91           HN       PHE  91  -5.156  -0.130  -0.130
  603    HA   PHE  91           HA       PHE  91  -3.786   1.609   1.609
  604   1HB   PHE  91           HB2      PHE  91  -6.299   0.083   0.083
  605   2HB   PHE  91           HB1      PHE  91  -6.380   1.717   1.717
  606    HD1  PHE  91           HD1      PHE  91  -4.420  -1.449  -1.449
  607    HD2  PHE  91           HD2      PHE  91  -5.308   2.244   2.244
  608    HE1  PHE  91           HE1      PHE  91  -3.057  -2.133  -2.133
  609    HE2  PHE  91           HE2      PHE  91  -3.982   1.581   1.581
  610    HZ   PHE  91           HZ       PHE  91  -2.851  -0.641  -0.641
  611    HA   PRO  92           HA       PRO  92  -6.726   4.579   4.579
  612   1HB   PRO  92           HB2      PRO  92  -7.842   3.854   3.854
  613   2HB   PRO  92           HB1      PRO  92  -8.666   3.706   3.706
  614   1HG   PRO  92           HG2      PRO  92  -7.429   1.576   1.576
  615   2HG   PRO  92           HG1      PRO  92  -8.763   1.458   1.458
  616   1HD   PRO  92           HD2      PRO  92  -6.115   0.659   0.659
  617   2HD   PRO  92           HD1      PRO  92  -7.340   0.913   0.913
  618    H    LYS  93           HN       LYS  93  -4.035   3.142   3.142
  619    HA   LYS  93           HA       LYS  93  -3.446   4.666   4.666
  620   1HB   LYS  93           HB2      LYS  93  -2.900   2.136   2.136
  621   2HB   LYS  93           HB1      LYS  93  -1.604   2.683   2.683
  622   1HG   LYS  93           HG2      LYS  93  -0.358   3.470   3.470
  623   2HG   LYS  93           HG1      LYS  93  -1.760   4.172   4.172
  624   1HD   LYS  93           HD2      LYS  93  -1.775   2.457   2.457
  625   2HD   LYS  93           HD1      LYS  93  -2.043   1.340   1.340
  626   1HE   LYS  93           HE2      LYS  93   0.626   1.865   1.865
  627   2HE   LYS  93           HE1      LYS  93   0.445   1.952   1.952
  628   1HZ   LYS  93           HZ1      LYS  93  -0.952  -0.257  -0.257
  629   2HZ   LYS  93           HZ3      LYS  93   0.729  -0.325  -0.325
  630   3HZ   LYS  93           HZ2      LYS  93   0.078  -0.229  -0.229
  631    H    THR  94           HN       THR  94  -1.077   5.464   5.464
  632    HA   THR  94           HA       THR  94  -0.578   6.723   6.723
  633    HB   THR  94           HB       THR  94  -0.226   8.017   8.017
  634    HG1  THR  94           HG1      THR  94  -2.435   7.617   7.617
  635   1HG2  THR  94          HG22      THR  94   1.142   8.582   8.582
  636   2HG2  THR  94          HG21      THR  94  -0.309   9.535   9.535
  637   3HG2  THR  94          HG23      THR  94   0.642   9.828   9.828
  638    H    VAL  95           HN       VAL  95   1.444   6.443   6.443
  639    HA   VAL  95           HA       VAL  95   3.386   5.273   5.273
  640    HB   VAL  95           HB       VAL  95   3.153   5.188   5.188
  641   1HG1  VAL  95          HG12      VAL  95   5.645   5.143   5.143
  642   2HG1  VAL  95          HG11      VAL  95   5.455   3.852   3.852
  643   3HG1  VAL  95          HG13      VAL  95   5.408   5.530   5.530
  644   1HG2  VAL  95          HG23      VAL  95   2.856   3.400   3.400
  645   2HG2  VAL  95          HG22      VAL  95   2.400   3.149   3.149
  646   3HG2  VAL  95          HG21      VAL  95   4.036   2.770   2.770
  647    H    THR  96           HN       THR  96   5.608   6.216   6.216
  648    HA   THR  96           HA       THR  96   5.478   9.100   9.100
  649    HB   THR  96           HB       THR  96   7.143   7.989   7.989
  650    HG1  THR  96           HG1      THR  96   5.377   7.710   7.710
  651   1HG2  THR  96          HG22      THR  96   6.917  10.502  10.502
  652   2HG2  THR  96          HG21      THR  96   5.963  10.631  10.631
  653   3HG2  THR  96          HG23      THR  96   7.658  10.152  10.152
  654    H    VAL  97           HN       VAL  97   7.188  10.125  10.125
  655    HA   VAL  97           HA       VAL  97   9.711   8.656   8.656
  656    HB   VAL  97           HB       VAL  97   7.879  10.011  10.011
  657   1HG1  VAL  97          HG12      VAL  97  10.893   9.922   9.922
  658   2HG1  VAL  97          HG11      VAL  97   9.867  10.157  10.157
  659   3HG1  VAL  97          HG13      VAL  97   9.859  11.348  11.348
  660   1HG2  VAL  97          HG21      VAL  97   9.401   7.485   7.485
  661   2HG2  VAL  97          HG23      VAL  97   7.840   7.766   7.766
  662   3HG2  VAL  97          HG22      VAL  97   9.324   8.160   8.160
  663    H    LYS  98           HN       LYS  98  11.435   9.906   9.906
  664    HA   LYS  98           HA       LYS  98  10.850  12.798  12.798
  665   1HB   LYS  98           HB2      LYS  98  11.850  10.767  10.767
  666   2HB   LYS  98           HB1      LYS  98  13.029  12.070  12.070
  667   1HG   LYS  98           HG2      LYS  98  11.759  13.431  13.431
  668   2HG   LYS  98           HG1      LYS  98  10.381  13.189  13.189
  669   1HD   LYS  98           HD2      LYS  98   9.571  12.352  12.352
  670   2HD   LYS  98           HD1      LYS  98  10.155  10.890  10.890
  671   1HE   LYS  98           HE2      LYS  98  12.268  11.029  11.029
  672   2HE   LYS  98           HE1      LYS  98  11.748  12.533  12.533
  673   1HZ   LYS  98           HZ1      LYS  98   9.712  10.738  10.738
  674   2HZ   LYS  98           HZ3      LYS  98  11.133   9.855   9.855
  675   3HZ   LYS  98           HZ2      LYS  98  10.845  11.292  11.292
  676    HA   PRO  99           HA       PRO  99  15.394  12.990  12.990
  677   1HB   PRO  99           HB2      PRO  99  16.791  10.664  10.664
  678   2HB   PRO  99           HB1      PRO  99  16.698  11.479  11.479
  679   1HG   PRO  99           HG2      PRO  99  15.294   9.010   9.010
  680   2HG   PRO  99           HG1      PRO  99  15.789   9.473   9.473
  681   1HD   PRO  99           HD2      PRO  99  13.180   9.652   9.652
  682   2HD   PRO  99           HD1      PRO  99  13.782  10.487  10.487
  683    H    ALA 100           HN       ALA 100  14.015  13.542  13.542
  684    HA   ALA 100           HA       ALA 100  14.019  11.581  11.581
  685   1HB   ALA 100           HB2      ALA 100  12.353  13.677  13.677
  686   2HB   ALA 100           HB1      ALA 100  13.349  14.370  14.370
  687   3HB   ALA 100           HB3      ALA 100  12.439  12.894  12.894

  Start of MODEL    9
    1   1H    ALA   1           HT2      ALA   1 -18.013  -7.939  -7.939
    2   2H    ALA   1           HT1      ALA   1 -19.243  -8.703  -8.703
    3   3H    ALA   1           HT3      ALA   1 -18.504  -9.515  -9.515
    4    HA   ALA   1           HA       ALA   1 -17.550 -10.445 -10.445
    5   1HB   ALA   1           HB2      ALA   1 -18.332  -8.193  -8.193
    6   2HB   ALA   1           HB1      ALA   1 -16.618  -7.824  -7.824
    7   3HB   ALA   1           HB3      ALA   1 -17.115  -9.279  -9.279
    8    H    ASP   2           HN       ASP   2 -15.701 -11.266 -11.266
    9    HA   ASP   2           HA       ASP   2 -13.664 -11.384 -11.384
   10   1HB   ASP   2           HB2      ASP   2 -12.884 -10.637 -10.637
   11   2HB   ASP   2           HB1      ASP   2 -13.264  -8.969  -8.969
   12    HA   PRO   3           HA       PRO   3 -14.758  -7.775  -7.775
   13   1HB   PRO   3           HB2      PRO   3 -16.347  -9.114  -9.114
   14   2HB   PRO   3           HB1      PRO   3 -17.001  -8.268  -8.268
   15   1HG   PRO   3           HG2      PRO   3 -16.662 -11.201 -11.201
   16   2HG   PRO   3           HG1      PRO   3 -17.840 -10.347 -10.347
   17   1HD   PRO   3           HD2      PRO   3 -15.507 -11.645 -11.645
   18   2HD   PRO   3           HD1      PRO   3 -16.501 -10.489 -10.489
   19    H    GLU   4           HN       GLU   4 -13.258 -10.723 -10.723
   20    HA   GLU   4           HA       GLU   4 -11.946 -10.299 -10.299
   21   1HB   GLU   4           HB2      GLU   4 -13.871 -12.257 -12.257
   22   2HB   GLU   4           HB1      GLU   4 -12.318 -13.094 -13.094
   23   1HG   GLU   4           HG2      GLU   4 -11.943 -11.633 -11.633
   24   2HG   GLU   4           HG1      GLU   4 -13.706 -11.638 -11.638
   25    H    LYS   5           HN       LYS   5 -11.424 -10.687 -10.687
   26    HA   LYS   5           HA       LYS   5  -8.757 -11.887 -11.887
   27   1HB   LYS   5           HB2      LYS   5 -10.437 -12.539 -12.539
   28   2HB   LYS   5           HB1      LYS   5  -8.884 -13.248 -13.248
   29   1HG   LYS   5           HG2      LYS   5 -10.730 -13.520 -13.520
   30   2HG   LYS   5           HG1      LYS   5 -11.458 -14.171 -14.171
   31   1HD   LYS   5           HD2      LYS   5 -10.200 -15.948 -15.948
   32   2HD   LYS   5           HD1      LYS   5  -9.330 -15.457 -15.457
   33   1HE   LYS   5           HE2      LYS   5  -8.079 -13.819 -13.819
   34   2HE   LYS   5           HE1      LYS   5  -8.657 -14.903 -14.903
   35   1HZ   LYS   5           HZ3      LYS   5  -7.583 -16.344 -16.344
   36   2HZ   LYS   5           HZ2      LYS   5  -6.440 -15.261 -15.261
   37   3HZ   LYS   5           HZ1      LYS   5  -7.165 -16.425 -16.425
   38    H    SER   6           HN       SER   6  -9.376  -9.189  -9.189
   39    HA   SER   6           HA       SER   6  -8.339  -8.428  -8.428
   40   1HB   SER   6           HB2      SER   6  -9.647  -6.504  -6.504
   41   2HB   SER   6           HB1      SER   6  -9.518  -6.411  -6.411
   42    HG   SER   6           HG       SER   6 -11.341  -7.728  -7.728
   43    H    TYR   7           HN       TYR   7  -6.183  -8.021  -8.021
   44    HA   TYR   7           HA       TYR   7  -5.235  -6.382  -6.382
   45   1HB   TYR   7           HB2      TYR   7  -3.162  -7.837  -7.837
   46   2HB   TYR   7           HB1      TYR   7  -4.639  -8.623  -8.623
   47    HD1  TYR   7           HD2      TYR   7  -6.057  -9.799  -9.799
   48    HD2  TYR   7           HD1      TYR   7  -1.847  -8.972  -8.972
   49    HE1  TYR   7           HE2      TYR   7  -5.790 -11.551 -11.551
   50    HE2  TYR   7           HE1      TYR   7  -1.578 -10.726 -10.726
   51    HH   TYR   7           HH       TYR   7  -2.944 -11.877 -11.877
   52    H    ALA   8           HN       ALA   8  -3.571  -4.954  -4.954
   53    HA   ALA   8           HA       ALA   8  -2.620  -4.877  -4.877
   54   1HB   ALA   8           HB2      ALA   8  -3.935  -2.829  -2.829
   55   2HB   ALA   8           HB1      ALA   8  -2.359  -2.292  -2.292
   56   3HB   ALA   8           HB3      ALA   8  -3.584  -2.829  -2.829
   57    H    GLU   9           HN       GLU   9  -0.432  -5.268  -5.268
   58    HA   GLU   9           HA       GLU   9   1.203  -4.096  -4.096
   59   1HB   GLU   9           HB2      GLU   9   2.539  -6.255  -6.255
   60   2HB   GLU   9           HB1      GLU   9   0.914  -6.378  -6.378
   61   1HG   GLU   9           HG2      GLU   9   0.078  -7.505  -7.505
   62   2HG   GLU   9           HG1      GLU   9   1.419  -6.977  -6.977
   63    H    GLY  10           HN       GLY  10   3.235  -3.420  -3.420
   64   1HA   GLY  10           HA2      GLY  10   4.371  -4.232  -4.232
   65   2HA   GLY  10           HA1      GLY  10   3.735  -2.594  -2.594
   66    HA   PRO  11           HA       PRO  11   8.026  -2.513  -2.513
   67   1HB   PRO  11           HB2      PRO  11   9.310  -1.465  -1.465
   68   2HB   PRO  11           HB1      PRO  11   9.197  -3.205  -3.205
   69   1HG   PRO  11           HG2      PRO  11   7.726  -1.567  -1.567
   70   2HG   PRO  11           HG1      PRO  11   8.130  -3.291  -3.291
   71   1HD   PRO  11           HD2      PRO  11   5.602  -2.195  -2.195
   72   2HD   PRO  11           HD1      PRO  11   6.115  -3.873  -3.873
   73    H    GLY  12           HN       GLY  12   5.550  -0.649  -0.649
   74   1HA   GLY  12           HA2      GLY  12   6.929   1.944   1.944
   75   2HA   GLY  12           HA1      GLY  12   5.464   1.768   1.768
   76    H    LEU  13           HN       LEU  13   5.666   3.460   3.460
   77    HA   LEU  13           HA       LEU  13   4.053   3.997   3.997
   78   1HB   LEU  13           HB2      LEU  13   2.171   2.799   2.799
   79   2HB   LEU  13           HB1      LEU  13   2.814   1.951   1.951
   80    HG   LEU  13           HG       LEU  13   3.867   0.670   0.670
   81   1HD1  LEU  13          HD13      LEU  13   1.771   1.927   1.927
   82   2HD1  LEU  13          HD12      LEU  13   0.878   0.666   0.666
   83   3HD1  LEU  13          HD11      LEU  13   2.036   0.231   0.231
   84   1HD2  LEU  13          HD23      LEU  13   2.357   0.057   0.057
   85   2HD2  LEU  13          HD22      LEU  13   3.488  -0.959  -0.959
   86   3HD2  LEU  13          HD21      LEU  13   1.792  -0.895  -0.895
   87    H    ASP  14           HN       ASP  14   6.584   1.917   1.917
   88    HA   ASP  14           HA       ASP  14   6.491   1.053   1.053
   89   1HB   ASP  14           HB2      ASP  14   8.984   1.654   1.654
   90   2HB   ASP  14           HB1      ASP  14   8.761   0.448   0.448
   91    H    GLY  15           HN       GLY  15   7.064   3.989   3.989
   92   1HA   GLY  15           HA2      GLY  15   7.369   6.153   6.153
   93   2HA   GLY  15           HA1      GLY  15   7.499   5.402   5.402
   94    H    GLY  16           HN       GLY  16   9.318   6.107   6.107
   95   1HA   GLY  16           HA2      GLY  16  11.629   6.334   6.334
   96   2HA   GLY  16           HA1      GLY  16  11.856   5.204   5.204
   97    H    GLU  17           HN       GLU  17  11.515   6.232   6.232
   98    HA   GLU  17           HA       GLU  17  12.677   8.986   8.986
   99   1HB   GLU  17           HB2      GLU  17  13.280   6.637   6.637
  100   2HB   GLU  17           HB1      GLU  17  13.678   8.264   8.264
  101   1HG   GLU  17           HG2      GLU  17  15.471   8.335   8.335
  102   2HG   GLU  17           HG1      GLU  17  14.500   7.808   7.808
  103    H    CYS  18           HN       CYS  18  11.945  10.484  10.484
  104    HA   CYS  18           HA       CYS  18   9.368   9.954   9.954
  105   1HB   CYS  18           HB2      CYS  18  10.909  12.424  12.424
  106   2HB   CYS  18           HB1      CYS  18   9.871  12.487  12.487
  107    HG   CYS  18           HG       CYS  18   8.049  11.413  11.413
  108    H    PHE  19           HN       PHE  19  12.714  10.197  10.197
  109    HA   PHE  19           HA       PHE  19  12.128  10.806  10.806
  110   1HB   PHE  19           HB2      PHE  19  14.675  10.435  10.435
  111   2HB   PHE  19           HB1      PHE  19  14.680  10.515  10.515
  112    HD1  PHE  19           HD2      PHE  19  12.957  12.380  12.380
  113    HD2  PHE  19           HD1      PHE  19  14.974  12.485  12.485
  114    HE1  PHE  19           HE2      PHE  19  12.603  14.827  14.827
  115    HE2  PHE  19           HE1      PHE  19  14.611  14.936  14.936
  116    HZ   PHE  19           HZ       PHE  19  13.401  16.090  16.090
  117    H    GLN  20           HN       GLN  20  11.573   8.182   8.182
  118    HA   GLN  20           HA       GLN  20  12.761   6.308   6.308
  119   1HB   GLN  20           HB2      GLN  20  11.867   6.084   6.084
  120   2HB   GLN  20           HB1      GLN  20  11.250   4.795   4.795
  121   1HG   GLN  20           HG2      GLN  20  13.848   4.920   4.920
  122   2HG   GLN  20           HG1      GLN  20  14.020   5.349   5.349
  123   1HE2  GLN  20          HE22      GLN  20  14.145   1.646   1.646
  124   2HE2  GLN  20          HE21      GLN  20  15.120   2.930   2.930
  125    HA   PRO  21           HA       PRO  21   8.912   6.402   6.402
  126   1HB   PRO  21           HB2      PRO  21   8.963   3.905   3.905
  127   2HB   PRO  21           HB1      PRO  21   9.891   5.296   5.296
  128   1HG   PRO  21           HG2      PRO  21  10.844   2.922   2.922
  129   2HG   PRO  21           HG1      PRO  21  11.717   3.918   3.918
  130   1HD   PRO  21           HD2      PRO  21  12.009   4.113   4.113
  131   2HD   PRO  21           HD1      PRO  21  12.465   5.379   5.379
  132    H    SER  22           HN       SER  22   6.840   6.041   6.041
  133    HA   SER  22           HA       SER  22   6.541   3.833   3.833
  134   1HB   SER  22           HB2      SER  22   5.873   6.497   6.497
  135   2HB   SER  22           HB1      SER  22   4.349   5.701   5.701
  136    HG   SER  22           HG       SER  22   5.659   5.825   5.825
  137    H    LYS  23           HN       LYS  23   5.772   2.007   2.007
  138    HA   LYS  23           HA       LYS  23   3.310   2.300   2.300
  139   1HB   LYS  23           HB2      LYS  23   5.552   0.648   0.648
  140   2HB   LYS  23           HB1      LYS  23   4.146   1.307   1.307
  141   1HG   LYS  23           HG2      LYS  23   5.106   3.622   3.622
  142   2HG   LYS  23           HG1      LYS  23   6.592   2.800   2.800
  143   1HD   LYS  23           HD2      LYS  23   5.243   2.364   2.364
  144   2HD   LYS  23           HD1      LYS  23   6.506   3.570   3.570
  145   1HE   LYS  23           HE2      LYS  23   7.961   1.700   1.700
  146   2HE   LYS  23           HE1      LYS  23   6.733   0.569   0.569
  147   1HZ   LYS  23           HZ2      LYS  23   6.985   1.657   1.657
  148   2HZ   LYS  23           HZ1      LYS  23   8.360   2.446   2.446
  149   3HZ   LYS  23           HZ3      LYS  23   8.326   0.753   0.753
  150    H    PHE  24           HN       PHE  24   1.965   0.601   0.601
  151    HA   PHE  24           HA       PHE  24   3.075  -1.951  -1.951
  152   1HB   PHE  24           HB2      PHE  24   0.625  -1.496  -1.496
  153   2HB   PHE  24           HB1      PHE  24   2.236  -1.734  -1.734
  154    HD1  PHE  24           HD1      PHE  24   3.828   0.358   0.358
  155    HD2  PHE  24           HD2      PHE  24  -0.457   0.505   0.505
  156    HE1  PHE  24           HE1      PHE  24   3.930   2.749   2.749
  157    HE2  PHE  24           HE2      PHE  24  -0.356   2.903   2.903
  158    HZ   PHE  24           HZ       PHE  24   1.849   4.012   4.012
  159    H    LYS  25           HN       LYS  25   1.543  -3.753  -3.753
  160    HA   LYS  25           HA       LYS  25  -0.479  -3.226  -3.226
  161   1HB   LYS  25           HB2      LYS  25   0.989  -5.821  -5.821
  162   2HB   LYS  25           HB1      LYS  25  -0.071  -5.496  -5.496
  163   1HG   LYS  25           HG2      LYS  25   1.770  -3.424  -3.424
  164   2HG   LYS  25           HG1      LYS  25   2.749  -4.808  -4.808
  165   1HD   LYS  25           HD2      LYS  25   0.760  -5.090  -5.090
  166   2HD   LYS  25           HD1      LYS  25   2.345  -4.379  -4.379
  167   1HE   LYS  25           HE2      LYS  25   3.187  -6.460  -6.460
  168   2HE   LYS  25           HE1      LYS  25   2.830  -6.672  -6.672
  169   1HZ   LYS  25           HZ3      LYS  25   0.512  -6.946  -6.946
  170   2HZ   LYS  25           HZ2      LYS  25   1.720  -8.076  -8.076
  171   3HZ   LYS  25           HZ1      LYS  25   1.116  -7.989  -7.989
  172    H    ILE  26           HN       ILE  26  -2.557  -4.143  -4.143
  173    HA   ILE  26           HA       ILE  26  -2.984  -5.283  -5.283
  174    HB   ILE  26           HB       ILE  26  -5.118  -3.905  -3.905
  175   1HG1  ILE  26          HG12      ILE  26  -2.900  -2.678  -2.678
  176   2HG1  ILE  26          HG11      ILE  26  -3.391  -2.256  -2.256
  177   1HG2  ILE  26          HG22      ILE  26  -4.568  -4.339  -4.339
  178   2HG2  ILE  26          HG21      ILE  26  -5.932  -3.417  -3.417
  179   3HG2  ILE  26          HG23      ILE  26  -5.801  -5.144  -5.144
  180   1HD1  ILE  26          HD11      ILE  26  -5.164  -1.909  -1.909
  181   2HD1  ILE  26          HD13      ILE  26  -4.179  -0.621  -0.621
  182   3HD1  ILE  26          HD12      ILE  26  -5.486  -1.340  -1.340
  183    H    HIS  27           HN       HIS  27  -4.648  -6.872  -6.872
  184    HA   HIS  27           HA       HIS  27  -5.610  -8.150  -8.150
  185   1HB   HIS  27           HB2      HIS  27  -4.416  -9.886  -9.886
  186   2HB   HIS  27           HB1      HIS  27  -4.680 -10.252 -10.252
  187    HD1  HIS  27           HD1      HIS  27  -2.698  -7.623  -7.623
  188    HD2  HIS  27           HD2      HIS  27  -2.292 -10.147 -10.147
  189    HE1  HIS  27           HE1      HIS  27  -0.388  -7.218  -7.218
  190    H    ALA  28           HN       ALA  28  -7.741  -8.522  -8.522
  191    HA   ALA  28           HA       ALA  28  -8.796  -8.844  -8.844
  192   1HB   ALA  28           HB1      ALA  28  -9.695  -7.343  -7.343
  193   2HB   ALA  28           HB3      ALA  28 -10.922  -8.525  -8.525
  194   3HB   ALA  28           HB2      ALA  28 -10.353  -7.358  -7.358
  195    H    VAL  29           HN       VAL  29  -9.723 -10.822 -10.822
  196    HA   VAL  29           HA       VAL  29 -10.278 -12.738 -12.738
  197    HB   VAL  29           HB       VAL  29  -8.974 -13.128 -13.128
  198   1HG1  VAL  29          HG13      VAL  29 -10.683 -15.220 -15.220
  199   2HG1  VAL  29          HG12      VAL  29  -9.555 -15.561 -15.561
  200   3HG1  VAL  29          HG11      VAL  29 -10.968 -14.545 -14.545
  201   1HG2  VAL  29          HG23      VAL  29  -8.079 -13.188 -13.188
  202   2HG2  VAL  29          HG22      VAL  29  -7.371 -14.180 -14.180
  203   3HG2  VAL  29          HG21      VAL  29  -8.556 -14.878 -14.878
  204    H    ASP  30           HN       ASP  30 -12.332 -13.370 -13.370
  205    HA   ASP  30           HA       ASP  30 -14.228 -12.519 -12.519
  206   1HB   ASP  30           HB2      ASP  30 -15.796 -12.276 -12.276
  207   2HB   ASP  30           HB1      ASP  30 -14.339 -12.031 -12.031
  208    HA   PRO  31           HA       PRO  31 -15.361 -16.595 -16.595
  209   1HB   PRO  31           HB2      PRO  31 -18.077 -16.782 -16.782
  210   2HB   PRO  31           HB1      PRO  31 -17.314 -15.850 -15.850
  211   1HG   PRO  31           HG2      PRO  31 -18.635 -14.871 -14.871
  212   2HG   PRO  31           HG1      PRO  31 -18.392 -14.040 -14.040
  213   1HD   PRO  31           HD2      PRO  31 -16.883 -13.667 -13.667
  214   2HD   PRO  31           HD1      PRO  31 -16.481 -13.032 -13.032
  215    H    ASP  32           HN       ASP  32 -15.076 -16.093 -16.093
  216    HA   ASP  32           HA       ASP  32 -16.301 -18.748 -18.748
  217   1HB   ASP  32           HB2      ASP  32 -16.879 -16.453 -16.453
  218   2HB   ASP  32           HB1      ASP  32 -15.415 -16.870 -16.870
  219    H    GLY  33           HN       GLY  33 -13.453 -17.502 -17.502
  220   1HA   GLY  33           HA2      GLY  33 -11.263 -18.375 -18.375
  221   2HA   GLY  33           HA1      GLY  33 -11.894 -19.632 -19.632
  222    H    VAL  34           HN       VAL  34 -12.303 -16.161 -16.161
  223    HA   VAL  34           HA       VAL  34 -10.458 -16.048 -16.048
  224    HB   VAL  34           HB       VAL  34 -13.243 -15.019 -15.019
  225   1HG1  VAL  34          HG11      VAL  34 -10.873 -15.366 -15.366
  226   2HG1  VAL  34          HG13      VAL  34 -12.059 -16.495 -16.495
  227   3HG1  VAL  34          HG12      VAL  34 -12.435 -14.774 -14.774
  228   1HG2  VAL  34          HG21      VAL  34 -13.556 -17.322 -17.322
  229   2HG2  VAL  34          HG23      VAL  34 -13.988 -17.210 -17.210
  230   3HG2  VAL  34          HG22      VAL  34 -12.450 -17.931 -17.931
  231    H    HIS  35           HN       HIS  35 -11.455 -13.574 -13.574
  232    HA   HIS  35           HA       HIS  35 -10.871 -11.823 -11.823
  233   1HB   HIS  35           HB2      HIS  35 -10.204 -11.705 -11.705
  234   2HB   HIS  35           HB1      HIS  35 -10.539 -10.173 -10.173
  235    HD1  HIS  35           HD1      HIS  35  -8.159 -13.088 -13.088
  236    HD2  HIS  35           HD2      HIS  35  -8.597  -9.377  -9.377
  237    HE1  HIS  35           HE1      HIS  35  -5.988 -12.638 -12.638
  238    H    ARG  36           HN       ARG  36 -13.314 -12.403 -12.403
  239    HA   ARG  36           HA       ARG  36 -15.597 -11.844 -11.844
  240   1HB   ARG  36           HB2      ARG  36 -15.584  -9.106  -9.106
  241   2HB   ARG  36           HB1      ARG  36 -15.439  -9.924  -9.924
  242   1HG   ARG  36           HG2      ARG  36 -12.998  -9.885  -9.885
  243   2HG   ARG  36           HG1      ARG  36 -13.110  -9.125  -9.125
  244   1HD   ARG  36           HD2      ARG  36 -14.337  -7.220  -7.220
  245   2HD   ARG  36           HD1      ARG  36 -13.973  -7.948  -7.948
  246    HE   ARG  36           HE       ARG  36 -12.029  -6.593  -6.593
  247   1HH1  ARG  36          HH11      ARG  36 -11.298  -9.446  -9.446
  248   2HH1  ARG  36          HH12      ARG  36 -10.354  -8.905  -8.905
  249   1HH2  ARG  36          HH21      ARG  36 -11.287  -5.599  -5.599
  250   2HH2  ARG  36          HH22      ARG  36 -10.346  -6.742  -6.742
  251    H    THR  37           HN       THR  37 -15.127 -12.930 -12.930
  252    HA   THR  37           HA       THR  37 -15.290 -12.799 -12.799
  253    HB   THR  37           HB       THR  37 -17.570 -12.861 -12.861
  254    HG1  THR  37           HG1      THR  37 -18.432 -10.692 -10.692
  255   1HG2  THR  37          HG22      THR  37 -17.521 -10.447 -10.447
  256   2HG2  THR  37          HG21      THR  37 -18.950 -11.392 -11.392
  257   3HG2  THR  37          HG23      THR  37 -17.649 -12.127 -12.127
  258    H    ASP  38           HN       ASP  38 -13.262 -11.520 -11.520
  259    HA   ASP  38           HA       ASP  38 -12.823  -8.840  -8.840
  260   1HB   ASP  38           HB2      ASP  38 -11.756 -10.950 -10.950
  261   2HB   ASP  38           HB1      ASP  38 -11.862  -9.478  -9.478
  262    H    GLY  39           HN       GLY  39 -12.967  -7.023  -7.023
  263   1HA   GLY  39           HA2      GLY  39 -13.960  -6.110  -6.110
  264   2HA   GLY  39           HA1      GLY  39 -15.306  -7.223  -7.223
  265    H    GLY  40           HN       GLY  40 -15.998  -6.858  -6.858
  266   1HA   GLY  40           HA2      GLY  40 -16.439  -3.912  -3.912
  267   2HA   GLY  40           HA1      GLY  40 -17.787  -5.040  -5.040
  268    H    ASP  41           HN       ASP  41 -14.478  -4.618  -4.618
  269    HA   ASP  41           HA       ASP  41 -15.401  -5.830  -5.830
  270   1HB   ASP  41           HB2      ASP  41 -12.672  -4.633  -4.633
  271   2HB   ASP  41           HB1      ASP  41 -13.115  -5.965  -5.965
  272    H    GLY  42           HN       GLY  42 -16.053  -4.603  -4.603
  273   1HA   GLY  42           HA2      GLY  42 -16.190  -1.715  -1.715
  274   2HA   GLY  42           HA1      GLY  42 -16.565  -2.656  -2.656
  275    H    PHE  43           HN       PHE  43 -13.750  -1.715  -1.715
  276    HA   PHE  43           HA       PHE  43 -12.124  -1.766  -1.766
  277   1HB   PHE  43           HB2      PHE  43 -11.679  -2.936  -2.936
  278   2HB   PHE  43           HB1      PHE  43 -10.684  -1.482  -1.482
  279    HD1  PHE  43           HD2      PHE  43 -11.326  -4.612  -4.612
  280    HD2  PHE  43           HD1      PHE  43  -8.779  -1.181  -1.181
  281    HE1  PHE  43           HE2      PHE  43  -9.652  -5.698  -5.698
  282    HE2  PHE  43           HE1      PHE  43  -7.099  -2.277  -2.277
  283    HZ   PHE  43           HZ       PHE  43  -7.543  -4.534  -4.534
  284    H    VAL  44           HN       VAL  44 -11.393   0.086   0.086
  285    HA   VAL  44           HA       VAL  44 -10.908   2.390   2.390
  286    HB   VAL  44           HB       VAL  44 -12.906   3.271   3.271
  287   1HG1  VAL  44          HG11      VAL  44 -12.661   1.154   1.154
  288   2HG1  VAL  44          HG13      VAL  44 -13.458   2.607   2.607
  289   3HG1  VAL  44          HG12      VAL  44 -14.096   1.774   1.774
  290   1HG2  VAL  44          HG22      VAL  44 -11.065   4.651   4.651
  291   2HG2  VAL  44          HG21      VAL  44 -12.605   4.759   4.759
  292   3HG2  VAL  44          HG23      VAL  44 -11.311   3.751   3.751
  293    H    VAL  45           HN       VAL  45  -8.785   2.769   2.769
  294    HA   VAL  45           HA       VAL  45  -7.760   2.553   2.553
  295    HB   VAL  45           HB       VAL  45  -6.132   2.208   2.208
  296   1HG1  VAL  45          HG11      VAL  45  -4.994   2.907   2.907
  297   2HG1  VAL  45          HG13      VAL  45  -5.554   1.394   1.394
  298   3HG1  VAL  45          HG12      VAL  45  -4.433   1.366   1.366
  299   1HG2  VAL  45          HG23      VAL  45  -8.058   0.438   0.438
  300   2HG2  VAL  45          HG22      VAL  45  -6.754   0.044   0.044
  301   3HG2  VAL  45          HG21      VAL  45  -6.525  -0.179  -0.179
  302    H    THR  46           HN       THR  46  -6.280   4.205   4.205
  303    HA   THR  46           HA       THR  46  -5.704   6.372   6.372
  304    HB   THR  46           HB       THR  46  -6.987   7.792   7.792
  305    HG1  THR  46           HG1      THR  46  -8.843   6.797   6.797
  306   1HG2  THR  46          HG21      THR  46  -7.140   7.390   7.390
  307   2HG2  THR  46          HG23      THR  46  -8.759   7.583   7.583
  308   3HG2  THR  46          HG22      THR  46  -7.539   8.829   8.829
  309    H    ILE  47           HN       ILE  47  -3.827   7.235   7.235
  310    HA   ILE  47           HA       ILE  47  -2.992   7.122   7.122
  311    HB   ILE  47           HB       ILE  47  -1.412   6.679   6.679
  312   1HG1  ILE  47          HG12      ILE  47  -1.984   5.223   5.223
  313   2HG1  ILE  47          HG11      ILE  47  -1.623   4.588   4.588
  314   1HG2  ILE  47          HG21      ILE  47  -0.313   7.693   7.693
  315   2HG2  ILE  47          HG23      ILE  47   0.670   7.112   7.112
  316   3HG2  ILE  47          HG22      ILE  47  -0.297   8.564   8.564
  317   1HD1  ILE  47          HD12      ILE  47   0.778   5.467   5.467
  318   2HD1  ILE  47          HD11      ILE  47   0.315   5.570   5.570
  319   3HD1  ILE  47          HD13      ILE  47   0.296   4.016   4.016
  320    H    GLU  48           HN       GLU  48  -1.698   8.975   8.975
  321    HA   GLU  48           HA       GLU  48  -1.185  11.106  11.106
  322   1HB   GLU  48           HB2      GLU  48  -2.899  12.668  12.668
  323   2HB   GLU  48           HB1      GLU  48  -3.339  11.894  11.894
  324   1HG   GLU  48           HG2      GLU  48  -4.660  10.311  10.311
  325   2HG   GLU  48           HG1      GLU  48  -3.680  10.292  10.292
  326    H    GLY  49           HN       GLY  49  -0.123  12.874  12.874
  327   1HA   GLY  49           HA2      GLY  49   0.285  12.924  12.924
  328   2HA   GLY  49           HA1      GLY  49   1.709  12.446  12.446
  329    HA   PRO  50           HA       PRO  50   1.517  17.077  17.077
  330   1HB   PRO  50           HB2      PRO  50   4.011  17.428  17.428
  331   2HB   PRO  50           HB1      PRO  50   2.526  17.285  17.285
  332   1HG   PRO  50           HG2      PRO  50   4.693  15.282  15.282
  333   2HG   PRO  50           HG1      PRO  50   3.579  15.458  15.458
  334   1HD   PRO  50           HD2      PRO  50   3.358  13.550  13.550
  335   2HD   PRO  50           HD1      PRO  50   2.085  13.971  13.971
  336    H    ALA  51           HN       ALA  51   1.746  16.208  16.208
  337    HA   ALA  51           HA       ALA  51   4.256  17.285  17.285
  338   1HB   ALA  51           HB3      ALA  51   3.944  14.477  14.477
  339   2HB   ALA  51           HB2      ALA  51   3.852  14.784  14.784
  340   3HB   ALA  51           HB1      ALA  51   5.261  15.317  15.317
  341    HA   PRO  52           HA       PRO  52   1.720  18.167  18.167
  342   1HB   PRO  52           HB2      PRO  52   3.271  17.486  17.486
  343   2HB   PRO  52           HB1      PRO  52   3.569  18.907  18.907
  344   1HG   PRO  52           HG2      PRO  52   5.050  16.319  16.319
  345   2HG   PRO  52           HG1      PRO  52   5.627  17.926  17.926
  346   1HD   PRO  52           HD2      PRO  52   4.926  15.839  15.839
  347   2HD   PRO  52           HD1      PRO  52   5.166  17.542  17.542
  348    H    VAL  53           HN       VAL  53   3.336  15.064  15.064
  349    HA   VAL  53           HA       VAL  53   0.848  14.132  14.132
  350    HB   VAL  53           HB       VAL  53   3.602  12.908  12.908
  351   1HG1  VAL  53          HG13      VAL  53   1.039  11.680  11.680
  352   2HG1  VAL  53          HG12      VAL  53   2.183  11.518  11.518
  353   3HG1  VAL  53          HG11      VAL  53   2.606  10.916  10.916
  354   1HG2  VAL  53          HG22      VAL  53   2.478  14.777  14.777
  355   2HG2  VAL  53          HG21      VAL  53   4.053  13.988  13.988
  356   3HG2  VAL  53          HG23      VAL  53   2.643  13.255  13.255
  357    H    ASP  54           HN       ASP  54  -0.330  14.147  14.147
  358    HA   ASP  54           HA       ASP  54   0.544  11.998  11.998
  359   1HB   ASP  54           HB2      ASP  54  -1.656  14.066  14.066
  360   2HB   ASP  54           HB1      ASP  54  -1.306  12.851  12.851
  361    HA   PRO  55           HA       PRO  55  -3.736  10.325  10.325
  362   1HB   PRO  55           HB2      PRO  55  -5.039  11.566  11.566
  363   2HB   PRO  55           HB1      PRO  55  -5.223  12.050  12.050
  364   1HG   PRO  55           HG2      PRO  55  -3.754  13.425  13.425
  365   2HG   PRO  55           HG1      PRO  55  -4.432  14.100  14.100
  366   1HD   PRO  55           HD2      PRO  55  -1.692  13.471  13.471
  367   2HD   PRO  55           HD1      PRO  55  -2.411  13.961  13.961
  368    H    VAL  56           HN       VAL  56  -2.620   8.504   8.504
  369    HA   VAL  56           HA       VAL  56  -2.564   8.556   8.556
  370    HB   VAL  56           HB       VAL  56  -0.347   7.375   7.375
  371   1HG1  VAL  56          HG11      VAL  56  -0.943   7.918   7.918
  372   2HG1  VAL  56          HG13      VAL  56   0.739   8.024   8.024
  373   3HG1  VAL  56          HG12      VAL  56  -0.158   6.521   6.521
  374   1HG2  VAL  56          HG23      VAL  56  -0.473   9.803   9.803
  375   2HG2  VAL  56          HG22      VAL  56   0.950   9.432   9.432
  376   3HG2  VAL  56          HG21      VAL  56  -0.471  10.154  10.154
  377    H    MET  57           HN       MET  57  -4.346   7.039   7.039
  378    HA   MET  57           HA       MET  57  -3.452   4.320   4.320
  379   1HB   MET  57           HB2      MET  57  -5.463   3.779   3.779
  380   2HB   MET  57           HB1      MET  57  -4.848   5.277   5.277
  381   1HG   MET  57           HG2      MET  57  -6.925   6.100   6.100
  382   2HG   MET  57           HG1      MET  57  -6.431   6.192   6.192
  383   1HE   MET  57           HE3      MET  57  -8.339   6.323   6.323
  384   2HE   MET  57           HE2      MET  57  -8.855   4.900   4.900
  385   3HE   MET  57           HE1      MET  57  -9.813   5.462   5.462
  386    H    VAL  58           HN       VAL  58  -4.033   2.773   2.773
  387    HA   VAL  58           HA       VAL  58  -6.081   3.523   3.523
  388    HB   VAL  58           HB       VAL  58  -3.901   1.838   1.838
  389   1HG1  VAL  58          HG13      VAL  58  -5.929   3.176   3.176
  390   2HG1  VAL  58          HG12      VAL  58  -4.716   4.454   4.454
  391   3HG1  VAL  58          HG11      VAL  58  -4.416   2.909   2.909
  392   1HG2  VAL  58          HG22      VAL  58  -2.678   3.456   3.456
  393   2HG2  VAL  58          HG21      VAL  58  -2.245   3.593   3.593
  394   3HG2  VAL  58          HG23      VAL  58  -3.338   4.769   4.769
  395    H    ASP  59           HN       ASP  59  -7.116   1.691   1.691
  396    HA   ASP  59           HA       ASP  59  -6.872  -0.858  -0.858
  397   1HB   ASP  59           HB2      ASP  59  -8.951   0.115   0.115
  398   2HB   ASP  59           HB1      ASP  59  -9.286   0.669   0.669
  399    H    ASN  60           HN       ASN  60  -6.276  -2.542  -2.542
  400    HA   ASN  60           HA       ASN  60  -6.314  -2.092  -2.092
  401   1HB   ASN  60           HB2      ASN  60  -4.618  -3.472  -3.472
  402   2HB   ASN  60           HB1      ASN  60  -5.452  -4.742  -4.742
  403   1HD2  ASN  60          HD22      ASN  60  -4.084  -3.734  -3.734
  404   2HD2  ASN  60          HD21      ASN  60  -5.442  -4.463  -4.463
  405    H    GLY  61           HN       GLY  61  -8.214  -3.899  -3.899
  406   1HA   GLY  61           HA2      GLY  61 -10.355  -4.816  -4.816
  407   2HA   GLY  61           HA1      GLY  61  -9.963  -4.694  -4.694
  408    H    ASP  62           HN       ASP  62  -7.356  -6.072  -6.072
  409    HA   ASP  62           HA       ASP  62  -8.215  -8.779  -8.779
  410   1HB   ASP  62           HB2      ASP  62  -5.867  -9.339  -9.339
  411   2HB   ASP  62           HB1      ASP  62  -6.060  -7.776  -7.776
  412    H    GLY  63           HN       GLY  63  -8.869  -7.336  -7.336
  413   1HA   GLY  63           HA2      GLY  63  -9.354  -8.284  -8.284
  414   2HA   GLY  63           HA1      GLY  63  -8.313  -9.648  -9.648
  415    H    THR  64           HN       THR  64  -6.350  -7.357  -7.357
  416    HA   THR  64           HA       THR  64  -5.298  -6.859  -6.859
  417    HB   THR  64           HB       THR  64  -3.036  -6.986  -6.986
  418    HG1  THR  64           HG1      THR  64  -2.721  -7.128  -7.128
  419   1HG2  THR  64          HG22      THR  64  -4.963  -9.234  -9.234
  420   2HG2  THR  64          HG21      THR  64  -3.403  -9.463  -9.463
  421   3HG2  THR  64          HG23      THR  64  -3.473  -9.117  -9.117
  422    H    TYR  65           HN       TYR  65  -4.766  -4.706  -4.706
  423    HA   TYR  65           HA       TYR  65  -4.950  -2.799  -2.799
  424   1HB   TYR  65           HB2      TYR  65  -5.871  -2.288  -2.288
  425   2HB   TYR  65           HB1      TYR  65  -6.110  -1.242  -1.242
  426    HD1  TYR  65           HD2      TYR  65  -7.162  -2.569  -2.569
  427    HD2  TYR  65           HD1      TYR  65  -7.676  -3.650  -3.650
  428    HE1  TYR  65           HE2      TYR  65  -9.200  -3.794  -3.794
  429    HE2  TYR  65           HE1      TYR  65  -9.707  -4.883  -4.883
  430    HH   TYR  65           HH       TYR  65 -11.339  -4.508  -4.508
  431    H    ASP  66           HN       ASP  66  -3.635  -0.822  -0.822
  432    HA   ASP  66           HA       ASP  66  -1.426  -1.256  -1.256
  433   1HB   ASP  66           HB2      ASP  66  -0.616  -1.889  -1.889
  434   2HB   ASP  66           HB1      ASP  66  -1.191  -0.366  -0.366
  435    H    VAL  67           HN       VAL  67  -0.466   0.620   0.620
  436    HA   VAL  67           HA       VAL  67  -1.711   3.202   3.202
  437    HB   VAL  67           HB       VAL  67  -2.277   3.744   3.744
  438   1HG1  VAL  67          HG12      VAL  67  -3.439   1.613   1.613
  439   2HG1  VAL  67          HG11      VAL  67  -2.895   0.853   0.853
  440   3HG1  VAL  67          HG13      VAL  67  -3.984   2.238   2.238
  441   1HG2  VAL  67          HG21      VAL  67  -0.147   2.877   2.877
  442   2HG2  VAL  67          HG23      VAL  67  -1.573   2.505   2.505
  443   3HG2  VAL  67          HG22      VAL  67  -0.849   1.259   1.259
  444    H    GLU  68           HN       GLU  68  -0.195   5.016   5.016
  445    HA   GLU  68           HA       GLU  68   2.436   4.368   4.368
  446   1HB   GLU  68           HB2      GLU  68   2.550   5.510   5.510
  447   2HB   GLU  68           HB1      GLU  68   3.712   4.479   4.479
  448   1HG   GLU  68           HG2      GLU  68   2.755   3.076   3.076
  449   2HG   GLU  68           HG1      GLU  68   1.905   2.631   2.631
  450    H    PHE  69           HN       PHE  69   3.097   6.143   6.143
  451    HA   PHE  69           HA       PHE  69   2.609   8.806   8.806
  452   1HB   PHE  69           HB2      PHE  69   2.045   9.859   9.859
  453   2HB   PHE  69           HB1      PHE  69   0.984   8.463   8.463
  454    HD1  PHE  69           HD1      PHE  69   2.153   6.196   6.196
  455    HD2  PHE  69           HD2      PHE  69   3.051  10.204  10.204
  456    HE1  PHE  69           HE1      PHE  69   3.014   5.346   5.346
  457    HE2  PHE  69           HE2      PHE  69   3.913   9.350   9.350
  458    HZ   PHE  69           HZ       PHE  69   3.873   6.900   6.900
  459    H    GLU  70           HN       GLU  70   4.292  10.391  10.391
  460    HA   GLU  70           HA       GLU  70   6.670   9.254   9.254
  461   1HB   GLU  70           HB2      GLU  70   7.142   8.633   8.633
  462   2HB   GLU  70           HB1      GLU  70   6.569  10.179  10.179
  463   1HG   GLU  70           HG2      GLU  70   8.481  11.318  11.318
  464   2HG   GLU  70           HG1      GLU  70   8.830  10.175  10.175
  465    HA   PRO  71           HA       PRO  71   6.175  13.576  13.576
  466   1HB   PRO  71           HB2      PRO  71   7.511  13.239  13.239
  467   2HB   PRO  71           HB1      PRO  71   5.802  12.835  12.835
  468   1HG   PRO  71           HG2      PRO  71   8.155  11.013  11.013
  469   2HG   PRO  71           HG1      PRO  71   6.464  10.706  10.706
  470   1HD   PRO  71           HD2      PRO  71   7.761   9.833   9.833
  471   2HD   PRO  71           HD1      PRO  71   6.005   9.855   9.855
  472    H    LYS  72           HN       LYS  72   8.228  14.731  14.731
  473    HA   LYS  72           HA       LYS  72  10.754  14.395  14.395
  474   1HB   LYS  72           HB2      LYS  72  10.664  17.087  17.087
  475   2HB   LYS  72           HB1      LYS  72  10.078  16.125  16.125
  476   1HG   LYS  72           HG2      LYS  72   7.834  16.406  16.406
  477   2HG   LYS  72           HG1      LYS  72   8.219  16.751  16.751
  478   1HD   LYS  72           HD2      LYS  72   9.506  18.733  18.733
  479   2HD   LYS  72           HD1      LYS  72   7.835  18.609  18.609
  480   1HE   LYS  72           HE2      LYS  72   7.038  19.538  19.538
  481   2HE   LYS  72           HE1      LYS  72   8.053  18.511  18.511
  482   1HZ   LYS  72           HZ3      LYS  72   9.167  20.800  20.800
  483   2HZ   LYS  72           HZ2      LYS  72   8.497  20.994  20.994
  484   3HZ   LYS  72           HZ1      LYS  72   9.839  19.977  19.977
  485    H    GLU  73           HN       GLU  73   9.352  16.684  16.684
  486    HA   GLU  73           HA       GLU  73  11.926  16.593  16.593
  487   1HB   GLU  73           HB2      GLU  73  10.938  18.354  18.354
  488   2HB   GLU  73           HB1      GLU  73  10.676  18.727  18.727
  489   1HG   GLU  73           HG2      GLU  73   8.414  18.373  18.373
  490   2HG   GLU  73           HG1      GLU  73   8.570  17.100  17.100
  491    H    ALA  74           HN       ALA  74  10.378  17.008  17.008
  492    HA   ALA  74           HA       ALA  74  10.219  14.137  14.137
  493   1HB   ALA  74           HB2      ALA  74  11.445  15.705  15.705
  494   2HB   ALA  74           HB1      ALA  74   9.936  16.568  16.568
  495   3HB   ALA  74           HB3      ALA  74  10.115  14.896  14.896
  496    H    GLY  75           HN       GLY  75   8.293  13.083  13.083
  497   1HA   GLY  75           HA2      GLY  75   5.841  14.565  14.565
  498   2HA   GLY  75           HA1      GLY  75   5.911  13.917  13.917
  499    H    ASP  76           HN       ASP  76   3.999  13.117  13.117
  500    HA   ASP  76           HA       ASP  76   4.835  10.296  10.296
  501   1HB   ASP  76           HB2      ASP  76   2.925  10.319  10.319
  502   2HB   ASP  76           HB1      ASP  76   4.206  11.457  11.457
  503    H    TYR  77           HN       TYR  77   3.196   8.689   8.689
  504    HA   TYR  77           HA       TYR  77   1.426   9.655   9.655
  505   1HB   TYR  77           HB2      TYR  77   2.226   6.793   6.793
  506   2HB   TYR  77           HB1      TYR  77   1.715   7.650   7.650
  507    HD1  TYR  77           HD1      TYR  77   3.433  10.101  10.101
  508    HD2  TYR  77           HD2      TYR  77   4.301   5.926   5.926
  509    HE1  TYR  77           HE1      TYR  77   5.766  10.515  10.515
  510    HE2  TYR  77           HE2      TYR  77   6.633   6.327   6.327
  511    HH   TYR  77           HH       TYR  77   7.661   8.953   8.953
  512    H    VAL  78           HN       VAL  78  -0.654   9.350   9.350
  513    HA   VAL  78           HA       VAL  78  -1.655   7.524   7.524
  514    HB   VAL  78           HB       VAL  78  -2.646   9.618   9.618
  515   1HG1  VAL  78          HG12      VAL  78  -2.805   9.847   9.847
  516   2HG1  VAL  78          HG11      VAL  78  -3.719  10.918  10.918
  517   3HG1  VAL  78          HG13      VAL  78  -1.957  10.905  10.905
  518   1HG2  VAL  78          HG23      VAL  78  -4.201   7.509   7.509
  519   2HG2  VAL  78          HG22      VAL  78  -4.787   8.907   8.907
  520   3HG2  VAL  78          HG21      VAL  78  -4.851   8.903   8.903
  521    H    ILE  79           HN       ILE  79  -2.655   5.699   5.699
  522    HA   ILE  79           HA       ILE  79  -2.963   5.630   5.630
  523    HB   ILE  79           HB       ILE  79  -1.142   4.303   4.303
  524   1HG1  ILE  79          HG12      ILE  79  -2.588   1.936   1.936
  525   2HG1  ILE  79          HG11      ILE  79  -3.342   3.156   3.156
  526   1HG2  ILE  79          HG23      ILE  79  -3.220   3.242   3.242
  527   2HG2  ILE  79          HG22      ILE  79  -1.782   2.298   2.298
  528   3HG2  ILE  79          HG21      ILE  79  -1.628   3.890   3.890
  529   1HD1  ILE  79          HD11      ILE  79  -0.460   3.384   3.384
  530   2HD1  ILE  79          HD13      ILE  79  -0.968   1.750   1.750
  531   3HD1  ILE  79          HD12      ILE  79  -1.594   3.129   3.129
  532    H    ASN  80           HN       ASN  80  -4.600   4.354   4.354
  533    HA   ASN  80           HA       ASN  80  -6.870   3.612   3.612
  534   1HB   ASN  80           HB2      ASN  80  -7.327   5.511   5.511
  535   2HB   ASN  80           HB1      ASN  80  -8.414   5.104   5.104
  536   1HD2  ASN  80          HD21      ASN  80  -5.239   6.681   6.681
  537   2HD2  ASN  80          HD22      ASN  80  -5.362   7.750   7.750
  538    H    LEU  81           HN       LEU  81  -7.354   1.638   1.638
  539    HA   LEU  81           HA       LEU  81  -7.666   1.097   1.097
  540   1HB   LEU  81           HB2      LEU  81  -5.615   0.013   0.013
  541   2HB   LEU  81           HB1      LEU  81  -5.991  -0.389  -0.389
  542    HG   LEU  81           HG       LEU  81  -5.958  -2.245  -2.245
  543   1HD1  LEU  81          HD11      LEU  81  -7.442  -1.826  -1.826
  544   2HD1  LEU  81          HD13      LEU  81  -8.280  -2.950  -2.950
  545   3HD1  LEU  81          HD12      LEU  81  -6.615  -3.271  -3.271
  546   1HD2  LEU  81          HD23      LEU  81  -7.809  -0.746  -0.746
  547   2HD2  LEU  81          HD22      LEU  81  -7.781  -2.502  -2.502
  548   3HD2  LEU  81          HD21      LEU  81  -8.869  -1.713  -1.713
  549    H    THR  82           HN       THR  82  -9.735   0.556   0.556
  550    HA   THR  82           HA       THR  82 -11.112  -0.896  -0.896
  551    HB   THR  82           HB       THR  82 -13.158   0.442   0.442
  552    HG1  THR  82           HG1      THR  82 -10.942   1.928   1.928
  553   1HG2  THR  82          HG22      THR  82 -11.186   0.910   0.910
  554   2HG2  THR  82          HG21      THR  82 -11.649   2.468   2.468
  555   3HG2  THR  82          HG23      THR  82 -12.879   1.405   1.405
  556    H    LEU  83           HN       LEU  83 -12.290  -2.633  -2.633
  557    HA   LEU  83           HA       LEU  83 -13.171  -2.941  -2.941
  558   1HB   LEU  83           HB2      LEU  83 -10.999  -4.217  -4.217
  559   2HB   LEU  83           HB1      LEU  83 -11.823  -5.221  -5.221
  560    HG   LEU  83           HG       LEU  83 -11.720  -6.037  -6.037
  561   1HD1  LEU  83          HD11      LEU  83 -13.149  -6.904  -6.904
  562   2HD1  LEU  83          HD13      LEU  83 -14.473  -6.003  -6.003
  563   3HD1  LEU  83          HD12      LEU  83 -13.683  -7.296  -7.296
  564   1HD2  LEU  83          HD23      LEU  83 -12.712  -3.705  -3.705
  565   2HD2  LEU  83          HD22      LEU  83 -13.323  -5.159  -5.159
  566   3HD2  LEU  83          HD21      LEU  83 -14.253  -4.400  -4.400
  567    H    ASP  84           HN       ASP  84 -15.150  -2.308  -2.308
  568    HA   ASP  84           HA       ASP  84 -17.204  -3.916  -3.916
  569   1HB   ASP  84           HB2      ASP  84 -15.461  -4.595  -4.595
  570   2HB   ASP  84           HB1      ASP  84 -17.215  -4.668  -4.668
  571    H    GLY  85           HN       GLY  85 -15.343  -1.543  -1.543
  572   1HA   GLY  85           HA2      GLY  85 -16.752   0.628   0.628
  573   2HA   GLY  85           HA1      GLY  85 -17.831  -0.357  -0.357
  574    H    ASP  86           HN       ASP  86 -14.724  -1.468  -1.468
  575    HA   ASP  86           HA       ASP  86 -14.335   0.563   0.563
  576   1HB   ASP  86           HB2      ASP  86 -15.172  -2.118  -2.118
  577   2HB   ASP  86           HB1      ASP  86 -13.481  -2.050  -2.050
  578    H    ASN  87           HN       ASN  87 -12.003   0.129   0.129
  579    HA   ASN  87           HA       ASN  87 -10.184  -0.094  -0.094
  580   1HB   ASN  87           HB2      ASN  87  -9.243   0.706   0.706
  581   2HB   ASN  87           HB1      ASN  87  -8.707   1.281   1.281
  582   1HD2  ASN  87          HD21      ASN  87 -10.667   2.073   2.073
  583   2HD2  ASN  87          HD22      ASN  87 -11.558   3.325   3.325
  584    H    VAL  88           HN       VAL  88  -8.350  -1.511  -1.511
  585    HA   VAL  88           HA       VAL  88  -8.804  -3.998  -3.998
  586    HB   VAL  88           HB       VAL  88  -6.679  -2.845  -2.845
  587   1HG1  VAL  88          HG11      VAL  88  -5.413  -3.912  -3.912
  588   2HG1  VAL  88          HG13      VAL  88  -6.227  -5.430  -5.430
  589   3HG1  VAL  88          HG12      VAL  88  -5.151  -4.682  -4.682
  590   1HG2  VAL  88          HG22      VAL  88  -8.216  -5.459  -5.459
  591   2HG2  VAL  88          HG21      VAL  88  -8.610  -4.051  -4.051
  592   3HG2  VAL  88          HG23      VAL  88  -7.128  -4.956  -4.956
  593    H    ASN  89           HN       ASN  89  -6.857  -4.948  -4.948
  594    HA   ASN  89           HA       ASN  89  -6.711  -3.256  -3.256
  595   1HB   ASN  89           HB2      ASN  89  -5.524  -5.153  -5.153
  596   2HB   ASN  89           HB1      ASN  89  -6.969  -5.698  -5.698
  597   1HD2  ASN  89          HD22      ASN  89  -4.018  -7.831  -7.831
  598   2HD2  ASN  89          HD21      ASN  89  -4.702  -7.433  -7.433
  599    H    GLY  90           HN       GLY  90  -5.128  -2.441  -2.441
  600   1HA   GLY  90           HA2      GLY  90  -2.681  -1.722  -1.722
  601   2HA   GLY  90           HA1      GLY  90  -2.446  -2.582  -2.582
  602    H    PHE  91           HN       PHE  91  -5.162  -0.484  -0.484
  603    HA   PHE  91           HA       PHE  91  -3.816   1.506   1.506
  604   1HB   PHE  91           HB2      PHE  91  -6.359   0.025   0.025
  605   2HB   PHE  91           HB1      PHE  91  -6.345   1.701   1.701
  606    HD1  PHE  91           HD1      PHE  91  -4.600  -1.582  -1.582
  607    HD2  PHE  91           HD2      PHE  91  -5.128   2.321   2.321
  608    HE1  PHE  91           HE1      PHE  91  -3.273  -2.208  -2.208
  609    HE2  PHE  91           HE2      PHE  91  -3.834   1.727   1.727
  610    HZ   PHE  91           HZ       PHE  91  -2.906  -0.568  -0.568
  611    HA   PRO  92           HA       PRO  92  -6.675   4.100   4.100
  612   1HB   PRO  92           HB2      PRO  92  -7.240   3.151   3.151
  613   2HB   PRO  92           HB1      PRO  92  -8.326   2.938   2.938
  614   1HG   PRO  92           HG2      PRO  92  -6.578   0.934   0.934
  615   2HG   PRO  92           HG1      PRO  92  -8.051   0.681   0.681
  616   1HD   PRO  92           HD2      PRO  92  -5.385   0.297   0.297
  617   2HD   PRO  92           HD1      PRO  92  -6.840   0.305   0.305
  618    H    LYS  93           HN       LYS  93  -3.809   2.815   2.815
  619    HA   LYS  93           HA       LYS  93  -2.838   4.135   4.135
  620   1HB   LYS  93           HB2      LYS  93  -2.294   1.701   1.701
  621   2HB   LYS  93           HB1      LYS  93  -1.344   2.274   2.274
  622   1HG   LYS  93           HG2      LYS  93   0.169   3.460   3.460
  623   2HG   LYS  93           HG1      LYS  93  -0.906   3.328   3.328
  624   1HD   LYS  93           HD2      LYS  93  -0.610   0.823   0.823
  625   2HD   LYS  93           HD1      LYS  93   0.634   1.090   1.090
  626   1HE   LYS  93           HE2      LYS  93   0.702   2.386   2.386
  627   2HE   LYS  93           HE1      LYS  93   1.501   0.855   0.855
  628   1HZ   LYS  93           HZ3      LYS  93   2.673   2.027   2.027
  629   2HZ   LYS  93           HZ2      LYS  93   2.017   3.490   3.490
  630   3HZ   LYS  93           HZ1      LYS  93   3.076   2.596   2.596
  631    H    THR  94           HN       THR  94  -0.681   5.137   5.137
  632    HA   THR  94           HA       THR  94  -0.421   6.571   6.571
  633    HB   THR  94           HB       THR  94  -0.024   7.722   7.722
  634    HG1  THR  94           HG1      THR  94  -2.241   7.259   7.259
  635   1HG2  THR  94          HG23      THR  94   0.531   8.653   8.653
  636   2HG2  THR  94          HG22      THR  94  -0.174   9.835   9.835
  637   3HG2  THR  94          HG21      THR  94   1.350   9.048   9.048
  638    H    VAL  95           HN       VAL  95   1.578   6.430   6.430
  639    HA   VAL  95           HA       VAL  95   3.650   5.270   5.270
  640    HB   VAL  95           HB       VAL  95   3.287   5.317   5.317
  641   1HG1  VAL  95          HG13      VAL  95   5.863   5.295   5.295
  642   2HG1  VAL  95          HG12      VAL  95   5.673   4.147   4.147
  643   3HG1  VAL  95          HG11      VAL  95   5.514   5.872   5.872
  644   1HG2  VAL  95          HG21      VAL  95   2.901   3.461   3.461
  645   2HG2  VAL  95          HG23      VAL  95   2.990   3.104   3.104
  646   3HG2  VAL  95          HG22      VAL  95   4.436   2.983   2.983
  647    H    THR  96           HN       THR  96   5.791   6.317   6.317
  648    HA   THR  96           HA       THR  96   5.526   9.217   9.217
  649    HB   THR  96           HB       THR  96   7.100   8.060   8.060
  650    HG1  THR  96           HG1      THR  96   5.302   7.979   7.979
  651   1HG2  THR  96          HG21      THR  96   6.583  10.742  10.742
  652   2HG2  THR  96          HG23      THR  96   6.348  10.613  10.613
  653   3HG2  THR  96          HG22      THR  96   7.902  10.185  10.185
  654    H    VAL  97           HN       VAL  97   7.152  10.291  10.291
  655    HA   VAL  97           HA       VAL  97   9.776   8.960   8.960
  656    HB   VAL  97           HB       VAL  97   7.934  10.222  10.222
  657   1HG1  VAL  97          HG12      VAL  97  10.955  10.201  10.201
  658   2HG1  VAL  97          HG11      VAL  97   9.938  10.431  10.431
  659   3HG1  VAL  97          HG13      VAL  97   9.898  11.611  11.611
  660   1HG2  VAL  97          HG21      VAL  97   9.638   7.785   7.785
  661   2HG2  VAL  97          HG23      VAL  97   7.990   7.919   7.919
  662   3HG2  VAL  97          HG22      VAL  97   9.344   8.412   8.412
  663    H    LYS  98           HN       LYS  98  11.437  10.333  10.333
  664    HA   LYS  98           HA       LYS  98  10.672  13.192  13.192
  665   1HB   LYS  98           HB2      LYS  98  11.704  11.238  11.238
  666   2HB   LYS  98           HB1      LYS  98  12.710  12.685  12.685
  667   1HG   LYS  98           HG2      LYS  98  10.022  13.574  13.574
  668   2HG   LYS  98           HG1      LYS  98  10.111  12.354  12.354
  669   1HD   LYS  98           HD2      LYS  98  12.354  14.293  14.293
  670   2HD   LYS  98           HD1      LYS  98  10.787  14.951  14.951
  671   1HE   LYS  98           HE2      LYS  98  10.594  13.473  13.473
  672   2HE   LYS  98           HE1      LYS  98  11.868  12.417  12.417
  673   1HZ   LYS  98           HZ2      LYS  98  12.817  15.071  15.071
  674   2HZ   LYS  98           HZ1      LYS  98  12.150  14.501  14.501
  675   3HZ   LYS  98           HZ3      LYS  98  13.395  13.633  13.633
  676    HA   PRO  99           HA       PRO  99  15.280  13.532  13.532
  677   1HB   PRO  99           HB2      PRO  99  16.800  11.256  11.256
  678   2HB   PRO  99           HB1      PRO  99  16.557  12.127  12.127
  679   1HG   PRO  99           HG2      PRO  99  15.336   9.561   9.561
  680   2HG   PRO  99           HG1      PRO  99  15.678  10.118  10.118
  681   1HD   PRO  99           HD2      PRO  99  13.155  10.130  10.130
  682   2HD   PRO  99           HD1      PRO  99  13.598  11.041  11.041
  683    H    ALA 100           HN       ALA 100  13.787  13.783  13.783
  684    HA   ALA 100           HA       ALA 100  14.139  11.803  11.803
  685   1HB   ALA 100           HB1      ALA 100  12.463  13.990  13.990
  686   2HB   ALA 100           HB3      ALA 100  13.579  14.533  14.533
  687   3HB   ALA 100           HB2      ALA 100  12.643  13.059  13.059

  Start of MODEL   10
    1   1H    ALA   1           HT2      ALA   1 -17.872  -8.132  -8.132
    2   2H    ALA   1           HT1      ALA   1 -19.108  -8.561  -8.561
    3   3H    ALA   1           HT3      ALA   1 -18.625  -9.650  -9.650
    4    HA   ALA   1           HA       ALA   1 -17.480 -10.547 -10.547
    5   1HB   ALA   1           HB3      ALA   1 -18.211  -8.116  -8.116
    6   2HB   ALA   1           HB2      ALA   1 -16.455  -8.205  -8.205
    7   3HB   ALA   1           HB1      ALA   1 -17.459  -9.508  -9.508
    8    H    ASP   2           HN       ASP   2 -15.603 -11.278 -11.278
    9    HA   ASP   2           HA       ASP   2 -13.558 -11.303 -11.303
   10   1HB   ASP   2           HB2      ASP   2 -12.839 -10.729 -10.729
   11   2HB   ASP   2           HB1      ASP   2 -13.192  -9.028  -9.028
   12    HA   PRO   3           HA       PRO   3 -14.483  -7.515  -7.515
   13   1HB   PRO   3           HB2      PRO   3 -16.024  -8.688  -8.688
   14   2HB   PRO   3           HB1      PRO   3 -16.717  -7.933  -7.933
   15   1HG   PRO   3           HG2      PRO   3 -16.449 -10.828 -10.828
   16   2HG   PRO   3           HG1      PRO   3 -17.608 -10.021 -10.021
   17   1HD   PRO   3           HD2      PRO   3 -15.289 -11.450 -11.450
   18   2HD   PRO   3           HD1      PRO   3 -16.312 -10.413 -10.413
   19    H    GLU   4           HN       GLU   4 -13.037 -10.476 -10.476
   20    HA   GLU   4           HA       GLU   4 -11.515  -9.917  -9.917
   21   1HB   GLU   4           HB2      GLU   4 -13.616 -11.770 -11.770
   22   2HB   GLU   4           HB1      GLU   4 -12.129 -12.717 -12.717
   23   1HG   GLU   4           HG2      GLU   4 -11.586 -10.873 -10.873
   24   2HG   GLU   4           HG1      GLU   4 -13.305 -11.180 -11.180
   25    H    LYS   5           HN       LYS   5 -11.128 -10.247 -10.247
   26    HA   LYS   5           HA       LYS   5  -8.632 -11.812 -11.812
   27   1HB   LYS   5           HB2      LYS   5 -10.833 -13.074 -13.074
   28   2HB   LYS   5           HB1      LYS   5 -10.146 -12.377 -12.377
   29   1HG   LYS   5           HG2      LYS   5  -8.869 -14.274 -14.274
   30   2HG   LYS   5           HG1      LYS   5  -7.892 -13.339 -13.339
   31   1HD   LYS   5           HD2      LYS   5  -8.253 -14.983 -14.983
   32   2HD   LYS   5           HD1      LYS   5  -9.922 -14.417 -14.417
   33   1HE   LYS   5           HE2      LYS   5 -10.399 -15.896 -15.896
   34   2HE   LYS   5           HE1      LYS   5  -8.801 -16.601 -16.601
   35   1HZ   LYS   5           HZ1      LYS   5  -9.487 -17.113 -17.113
   36   2HZ   LYS   5           HZ3      LYS   5 -11.052 -16.572 -16.572
   37   3HZ   LYS   5           HZ2      LYS   5 -10.412 -17.927 -17.927
   38    H    SER   6           HN       SER   6  -9.193  -9.041  -9.041
   39    HA   SER   6           HA       SER   6  -8.193  -8.455  -8.455
   40   1HB   SER   6           HB2      SER   6  -9.402  -6.413  -6.413
   41   2HB   SER   6           HB1      SER   6  -9.225  -6.330  -6.330
   42    HG   SER   6           HG       SER   6 -11.118  -7.208  -7.208
   43    H    TYR   7           HN       TYR   7  -6.024  -8.110  -8.110
   44    HA   TYR   7           HA       TYR   7  -4.988  -6.469  -6.469
   45   1HB   TYR   7           HB2      TYR   7  -2.946  -7.917  -7.917
   46   2HB   TYR   7           HB1      TYR   7  -4.412  -8.760  -8.760
   47    HD1  TYR   7           HD2      TYR   7  -5.516 -10.377 -10.377
   48    HD2  TYR   7           HD1      TYR   7  -1.840  -8.440  -8.440
   49    HE1  TYR   7           HE2      TYR   7  -5.174 -12.044 -12.044
   50    HE2  TYR   7           HE1      TYR   7  -1.497 -10.107 -10.107
   51    HH   TYR   7           HH       TYR   7  -3.961 -12.244 -12.244
   52    H    ALA   8           HN       ALA   8  -3.482  -4.950  -4.950
   53    HA   ALA   8           HA       ALA   8  -2.556  -4.877  -4.877
   54   1HB   ALA   8           HB3      ALA   8  -3.883  -2.859  -2.859
   55   2HB   ALA   8           HB2      ALA   8  -2.309  -2.292  -2.292
   56   3HB   ALA   8           HB1      ALA   8  -3.512  -2.827  -2.827
   57    H    GLU   9           HN       GLU   9  -0.380  -5.276  -5.276
   58    HA   GLU   9           HA       GLU   9   1.280  -4.106  -4.106
   59   1HB   GLU   9           HB2      GLU   9   2.530  -6.192  -6.192
   60   2HB   GLU   9           HB1      GLU   9   0.819  -6.486  -6.486
   61   1HG   GLU   9           HG2      GLU   9   0.679  -7.941  -7.941
   62   2HG   GLU   9           HG1      GLU   9   1.447  -6.802  -6.802
   63    H    GLY  10           HN       GLY  10   3.285  -3.425  -3.425
   64   1HA   GLY  10           HA2      GLY  10   4.415  -4.240  -4.240
   65   2HA   GLY  10           HA1      GLY  10   3.777  -2.601  -2.601
   66    HA   PRO  11           HA       PRO  11   8.077  -2.532  -2.532
   67   1HB   PRO  11           HB2      PRO  11   9.355  -1.464  -1.464
   68   2HB   PRO  11           HB1      PRO  11   9.234  -3.209  -3.209
   69   1HG   PRO  11           HG2      PRO  11   7.745  -1.527  -1.527
   70   2HG   PRO  11           HG1      PRO  11   8.166  -3.246  -3.246
   71   1HD   PRO  11           HD2      PRO  11   5.632  -2.207  -2.207
   72   2HD   PRO  11           HD1      PRO  11   6.173  -3.877  -3.877
   73    H    GLY  12           HN       GLY  12   5.595  -0.662  -0.662
   74   1HA   GLY  12           HA2      GLY  12   6.967   1.932   1.932
   75   2HA   GLY  12           HA1      GLY  12   5.506   1.755   1.755
   76    H    LEU  13           HN       LEU  13   5.720   3.439   3.439
   77    HA   LEU  13           HA       LEU  13   4.121   3.981   3.981
   78   1HB   LEU  13           HB2      LEU  13   2.196   2.840   2.840
   79   2HB   LEU  13           HB1      LEU  13   2.822   2.051   2.051
   80    HG   LEU  13           HG       LEU  13   3.828   0.595   0.595
   81   1HD1  LEU  13          HD12      LEU  13   0.892   1.264   1.264
   82   2HD1  LEU  13          HD11      LEU  13   1.649  -0.086  -0.086
   83   3HD1  LEU  13          HD13      LEU  13   2.122   1.568   1.568
   84   1HD2  LEU  13          HD22      LEU  13   2.271   0.190   0.190
   85   2HD2  LEU  13          HD21      LEU  13   3.349  -0.931  -0.931
   86   3HD2  LEU  13          HD23      LEU  13   1.660  -0.804  -0.804
   87    H    ASP  14           HN       ASP  14   6.569   1.803   1.803
   88    HA   ASP  14           HA       ASP  14   6.368   0.839   0.839
   89   1HB   ASP  14           HB2      ASP  14   8.960   1.477   1.477
   90   2HB   ASP  14           HB1      ASP  14   8.593   0.150   0.150
   91    H    GLY  15           HN       GLY  15   7.112   3.822   3.822
   92   1HA   GLY  15           HA2      GLY  15   7.321   5.937   5.937
   93   2HA   GLY  15           HA1      GLY  15   7.547   5.072   5.072
   94    H    GLY  16           HN       GLY  16   9.393   5.799   5.799
   95   1HA   GLY  16           HA2      GLY  16  11.709   6.088   6.088
   96   2HA   GLY  16           HA1      GLY  16  11.897   4.976   4.976
   97    H    GLU  17           HN       GLU  17  11.529   6.002   6.002
   98    HA   GLU  17           HA       GLU  17  12.657   8.771   8.771
   99   1HB   GLU  17           HB2      GLU  17  13.195   6.447   6.447
  100   2HB   GLU  17           HB1      GLU  17  13.533   8.078   8.078
  101   1HG   GLU  17           HG2      GLU  17  15.137   8.436   8.436
  102   2HG   GLU  17           HG1      GLU  17  14.537   7.088   7.088
  103    H    CYS  18           HN       CYS  18  11.851  10.298  10.298
  104    HA   CYS  18           HA       CYS  18   9.236   9.792   9.792
  105   1HB   CYS  18           HB2      CYS  18  10.777  12.245  12.245
  106   2HB   CYS  18           HB1      CYS  18   9.676  12.362  12.362
  107    HG   CYS  18           HG       CYS  18   7.983  11.134  11.134
  108    H    PHE  19           HN       PHE  19  12.552  10.102  10.102
  109    HA   PHE  19           HA       PHE  19  11.923  10.821  10.821
  110   1HB   PHE  19           HB2      PHE  19  14.498  10.329  10.329
  111   2HB   PHE  19           HB1      PHE  19  14.451  10.557  10.557
  112    HD1  PHE  19           HD2      PHE  19  13.185  12.597  12.597
  113    HD2  PHE  19           HD1      PHE  19  14.411  12.188  12.188
  114    HE1  PHE  19           HE2      PHE  19  12.899  15.035  15.035
  115    HE2  PHE  19           HE1      PHE  19  14.128  14.629  14.629
  116    HZ   PHE  19           HZ       PHE  19  13.355  16.032  16.032
  117    H    GLN  20           HN       GLN  20  11.452   8.108   8.108
  118    HA   GLN  20           HA       GLN  20  12.613   6.348   6.348
  119   1HB   GLN  20           HB2      GLN  20  11.412   5.859   5.859
  120   2HB   GLN  20           HB1      GLN  20  11.487   4.553   4.553
  121   1HG   GLN  20           HG2      GLN  20  14.021   5.592   5.592
  122   2HG   GLN  20           HG1      GLN  20  13.658   5.812   5.812
  123   1HE2  GLN  20          HE22      GLN  20  13.299   1.932   1.932
  124   2HE2  GLN  20          HE21      GLN  20  12.619   3.187   3.187
  125    HA   PRO  21           HA       PRO  21   8.745   6.461   6.461
  126   1HB   PRO  21           HB2      PRO  21   8.786   4.001   4.001
  127   2HB   PRO  21           HB1      PRO  21   9.708   5.406   5.406
  128   1HG   PRO  21           HG2      PRO  21  10.674   2.991   2.991
  129   2HG   PRO  21           HG1      PRO  21  11.536   4.013   4.013
  130   1HD   PRO  21           HD2      PRO  21  11.857   4.139   4.139
  131   2HD   PRO  21           HD1      PRO  21  12.302   5.436   5.436
  132    H    SER  22           HN       SER  22   6.666   6.042   6.042
  133    HA   SER  22           HA       SER  22   6.406   3.790   3.790
  134   1HB   SER  22           HB2      SER  22   4.322   5.846   5.846
  135   2HB   SER  22           HB1      SER  22   4.602   4.913   4.913
  136    HG   SER  22           HG       SER  22   6.777   6.144   6.144
  137    H    LYS  23           HN       LYS  23   5.696   1.968   1.968
  138    HA   LYS  23           HA       LYS  23   3.266   2.225   2.225
  139   1HB   LYS  23           HB2      LYS  23   5.543   0.581   0.581
  140   2HB   LYS  23           HB1      LYS  23   4.135   1.204   1.204
  141   1HG   LYS  23           HG2      LYS  23   4.996   3.517   3.517
  142   2HG   LYS  23           HG1      LYS  23   6.443   2.852   2.852
  143   1HD   LYS  23           HD2      LYS  23   5.581   1.922   1.922
  144   2HD   LYS  23           HD1      LYS  23   6.534   3.395   3.395
  145   1HE   LYS  23           HE2      LYS  23   8.363   2.076   2.076
  146   2HE   LYS  23           HE1      LYS  23   7.824   1.533   1.533
  147   1HZ   LYS  23           HZ2      LYS  23   6.617   0.290   0.290
  148   2HZ   LYS  23           HZ1      LYS  23   8.212  -0.145  -0.145
  149   3HZ   LYS  23           HZ3      LYS  23   6.968  -0.381  -0.381
  150    H    PHE  24           HN       PHE  24   1.932   0.560   0.560
  151    HA   PHE  24           HA       PHE  24   3.037  -1.972  -1.972
  152   1HB   PHE  24           HB2      PHE  24   0.598  -1.456  -1.456
  153   2HB   PHE  24           HB1      PHE  24   2.211  -1.703  -1.703
  154    HD1  PHE  24           HD1      PHE  24   3.829   0.365   0.365
  155    HD2  PHE  24           HD2      PHE  24  -0.454   0.580   0.580
  156    HE1  PHE  24           HE1      PHE  24   3.972   2.762   2.762
  157    HE2  PHE  24           HE2      PHE  24  -0.316   2.988   2.988
  158    HZ   PHE  24           HZ       PHE  24   1.907   4.071   4.071
  159    H    LYS  25           HN       LYS  25   1.481  -3.768  -3.768
  160    HA   LYS  25           HA       LYS  25  -0.500  -3.237  -3.237
  161   1HB   LYS  25           HB2      LYS  25   1.088  -5.738  -5.738
  162   2HB   LYS  25           HB1      LYS  25  -0.189  -5.680  -5.680
  163   1HG   LYS  25           HG2      LYS  25   1.710  -5.296  -5.296
  164   2HG   LYS  25           HG1      LYS  25   1.184  -3.651  -3.651
  165   1HD   LYS  25           HD2      LYS  25   3.267  -3.309  -3.309
  166   2HD   LYS  25           HD1      LYS  25   2.773  -4.299  -4.299
  167   1HE   LYS  25           HE2      LYS  25   3.403  -6.275  -6.275
  168   2HE   LYS  25           HE1      LYS  25   4.461  -5.025  -5.025
  169   1HZ   LYS  25           HZ3      LYS  25   4.355  -5.648  -5.648
  170   2HZ   LYS  25           HZ2      LYS  25   5.408  -6.456  -6.456
  171   3HZ   LYS  25           HZ1      LYS  25   5.542  -4.777  -4.777
  172    H    ILE  26           HN       ILE  26  -2.610  -4.032  -4.032
  173    HA   ILE  26           HA       ILE  26  -3.128  -5.037  -5.037
  174    HB   ILE  26           HB       ILE  26  -5.169  -3.827  -3.827
  175   1HG1  ILE  26          HG12      ILE  26  -3.172  -2.460  -2.460
  176   2HG1  ILE  26          HG11      ILE  26  -3.448  -2.164  -2.164
  177   1HG2  ILE  26          HG23      ILE  26  -5.779  -5.076  -5.076
  178   2HG2  ILE  26          HG22      ILE  26  -4.994  -3.758  -3.758
  179   3HG2  ILE  26          HG21      ILE  26  -6.396  -3.431  -3.431
  180   1HD1  ILE  26          HD11      ILE  26  -5.942  -1.827  -1.827
  181   2HD1  ILE  26          HD13      ILE  26  -4.738  -0.938  -0.938
  182   3HD1  ILE  26          HD12      ILE  26  -4.957  -0.592  -0.592
  183    H    HIS  27           HN       HIS  27  -4.566  -6.759  -6.759
  184    HA   HIS  27           HA       HIS  27  -5.441  -8.189  -8.189
  185   1HB   HIS  27           HB2      HIS  27  -4.122  -9.674  -9.674
  186   2HB   HIS  27           HB1      HIS  27  -4.445 -10.243 -10.243
  187    HD1  HIS  27           HD1      HIS  27  -2.529  -7.335  -7.335
  188    HD2  HIS  27           HD2      HIS  27  -2.153 -10.114 -10.114
  189    HE1  HIS  27           HE1      HIS  27  -0.319  -6.863  -6.863
  190    H    ALA  28           HN       ALA  28  -7.586  -8.364  -8.364
  191    HA   ALA  28           HA       ALA  28  -8.697  -8.700  -8.700
  192   1HB   ALA  28           HB2      ALA  28  -9.614  -7.481  -7.481
  193   2HB   ALA  28           HB1      ALA  28 -10.827  -8.543  -8.543
  194   3HB   ALA  28           HB3      ALA  28 -10.170  -7.203  -7.203
  195    H    VAL  29           HN       VAL  29  -9.910 -10.555 -10.555
  196    HA   VAL  29           HA       VAL  29 -10.148 -12.670 -12.670
  197    HB   VAL  29           HB       VAL  29  -8.963 -12.888 -12.888
  198   1HG1  VAL  29          HG13      VAL  29 -10.409 -14.994 -14.994
  199   2HG1  VAL  29          HG12      VAL  29  -9.085 -15.439 -15.439
  200   3HG1  VAL  29          HG11      VAL  29 -10.525 -14.652 -14.652
  201   1HG2  VAL  29          HG21      VAL  29  -8.192 -13.665 -13.665
  202   2HG2  VAL  29          HG23      VAL  29  -7.316 -12.632 -12.632
  203   3HG2  VAL  29          HG22      VAL  29  -7.387 -14.374 -14.374
  204    H    ASP  30           HN       ASP  30 -12.238 -13.088 -13.088
  205    HA   ASP  30           HA       ASP  30 -14.124 -12.742 -12.742
  206   1HB   ASP  30           HB2      ASP  30 -14.222 -12.076 -12.076
  207   2HB   ASP  30           HB1      ASP  30 -15.443 -13.298 -13.298
  208    HA   PRO  31           HA       PRO  31 -14.913 -17.060 -17.060
  209   1HB   PRO  31           HB2      PRO  31 -17.618 -17.391 -17.391
  210   2HB   PRO  31           HB1      PRO  31 -16.875 -16.742 -16.742
  211   1HG   PRO  31           HG2      PRO  31 -18.386 -15.305 -15.305
  212   2HG   PRO  31           HG1      PRO  31 -18.128 -14.856 -14.856
  213   1HD   PRO  31           HD2      PRO  31 -16.769 -13.803 -13.803
  214   2HD   PRO  31           HD1      PRO  31 -16.354 -13.520 -13.520
  215    H    ASP  32           HN       ASP  32 -14.279 -16.179 -16.179
  216    HA   ASP  32           HA       ASP  32 -15.597 -18.512 -18.512
  217   1HB   ASP  32           HB2      ASP  32 -15.203 -15.716 -15.716
  218   2HB   ASP  32           HB1      ASP  32 -15.468 -17.098 -17.098
  219    H    GLY  33           HN       GLY  33 -12.787 -17.604 -17.604
  220   1HA   GLY  33           HA2      GLY  33 -10.577 -18.288 -18.288
  221   2HA   GLY  33           HA1      GLY  33 -11.206 -19.190 -19.190
  222    H    VAL  34           HN       VAL  34 -11.909 -15.853 -15.853
  223    HA   VAL  34           HA       VAL  34 -10.006 -14.901 -14.901
  224    HB   VAL  34           HB       VAL  34 -12.813 -14.010 -14.010
  225   1HG1  VAL  34          HG11      VAL  34 -10.334 -14.126 -14.126
  226   2HG1  VAL  34          HG13      VAL  34 -11.576 -14.964 -14.964
  227   3HG1  VAL  34          HG12      VAL  34 -11.822 -13.287 -13.287
  228   1HG2  VAL  34          HG23      VAL  34 -11.915 -16.837 -16.837
  229   2HG2  VAL  34          HG22      VAL  34 -13.333 -16.320 -16.320
  230   3HG2  VAL  34          HG21      VAL  34 -13.269 -16.067 -16.067
  231    H    HIS  35           HN       HIS  35 -10.825 -12.353 -12.353
  232    HA   HIS  35           HA       HIS  35 -10.861 -11.356 -11.356
  233   1HB   HIS  35           HB2      HIS  35 -10.376  -9.652  -9.652
  234   2HB   HIS  35           HB1      HIS  35  -9.830  -9.384  -9.384
  235    HD1  HIS  35           HD1      HIS  35  -7.442 -10.004 -10.004
  236    HD2  HIS  35           HD2      HIS  35  -9.112 -12.213 -12.213
  237    HE1  HIS  35           HE1      HIS  35  -5.594 -11.488 -11.488
  238    H    ARG  36           HN       ARG  36 -13.254 -12.265 -12.265
  239    HA   ARG  36           HA       ARG  36 -15.486 -11.656 -11.656
  240   1HB   ARG  36           HB2      ARG  36 -16.007  -9.526  -9.526
  241   2HB   ARG  36           HB1      ARG  36 -14.273  -9.446  -9.446
  242   1HG   ARG  36           HG2      ARG  36 -14.340  -7.606  -7.606
  243   2HG   ARG  36           HG1      ARG  36 -14.478  -8.732  -8.732
  244   1HD   ARG  36           HD2      ARG  36 -16.402  -7.578  -7.578
  245   2HD   ARG  36           HD1      ARG  36 -17.064  -8.647  -8.647
  246    HE   ARG  36           HE       ARG  36 -15.916  -6.315  -6.315
  247   1HH1  ARG  36          HH11      ARG  36 -18.459  -7.171  -7.171
  248   2HH1  ARG  36          HH12      ARG  36 -19.618  -6.110  -6.110
  249   1HH2  ARG  36          HH21      ARG  36 -17.466  -5.048  -5.048
  250   2HH2  ARG  36          HH22      ARG  36 -19.056  -4.909  -4.909
  251    H    THR  37           HN       THR  37 -14.175 -12.504 -12.504
  252    HA   THR  37           HA       THR  37 -14.710 -12.742 -12.742
  253    HB   THR  37           HB       THR  37 -16.857 -12.216 -12.216
  254    HG1  THR  37           HG1      THR  37 -16.711  -9.903  -9.903
  255   1HG2  THR  37          HG23      THR  37 -16.640 -13.000 -13.000
  256   2HG2  THR  37          HG22      THR  37 -17.667 -11.574 -11.574
  257   3HG2  THR  37          HG21      THR  37 -18.156 -12.915 -12.915
  258    H    ASP  38           HN       ASP  38 -12.814 -11.717 -11.717
  259    HA   ASP  38           HA       ASP  38 -12.026  -9.082  -9.082
  260   1HB   ASP  38           HB2      ASP  38 -11.332 -11.272 -11.272
  261   2HB   ASP  38           HB1      ASP  38 -11.640  -9.932  -9.932
  262    H    GLY  39           HN       GLY  39 -12.093  -7.382  -7.382
  263   1HA   GLY  39           HA2      GLY  39 -13.330  -5.898  -5.898
  264   2HA   GLY  39           HA1      GLY  39 -14.316  -7.278  -7.278
  265    H    GLY  40           HN       GLY  40 -13.877  -5.049  -5.049
  266   1HA   GLY  40           HA2      GLY  40 -15.984  -3.778  -3.778
  267   2HA   GLY  40           HA1      GLY  40 -16.831  -5.313  -5.313
  268    H    ASP  41           HN       ASP  41 -13.964  -4.087  -4.087
  269    HA   ASP  41           HA       ASP  41 -14.985  -5.668  -5.668
  270   1HB   ASP  41           HB2      ASP  41 -12.193  -4.544  -4.544
  271   2HB   ASP  41           HB1      ASP  41 -12.758  -5.910  -5.910
  272    H    GLY  42           HN       GLY  42 -15.612  -4.494  -4.494
  273   1HA   GLY  42           HA2      GLY  42 -15.653  -1.589  -1.589
  274   2HA   GLY  42           HA1      GLY  42 -16.174  -2.551  -2.551
  275    H    PHE  43           HN       PHE  43 -13.103  -2.035  -2.035
  276    HA   PHE  43           HA       PHE  43 -11.710  -1.970  -1.970
  277   1HB   PHE  43           HB2      PHE  43 -11.175  -3.258  -3.258
  278   2HB   PHE  43           HB1      PHE  43 -10.023  -1.926  -1.926
  279    HD1  PHE  43           HD2      PHE  43  -9.881  -1.787  -1.787
  280    HD2  PHE  43           HD1      PHE  43  -9.586  -5.022  -5.022
  281    HE1  PHE  43           HE2      PHE  43  -8.482  -3.065  -3.065
  282    HE2  PHE  43           HE1      PHE  43  -8.187  -6.295  -6.295
  283    HZ   PHE  43           HZ       PHE  43  -7.637  -5.317  -5.317
  284    H    VAL  44           HN       VAL  44 -11.813   0.147   0.147
  285    HA   VAL  44           HA       VAL  44 -10.846   2.207   2.207
  286    HB   VAL  44           HB       VAL  44 -12.713   3.324   3.324
  287   1HG1  VAL  44          HG11      VAL  44 -12.801   1.283   1.283
  288   2HG1  VAL  44          HG13      VAL  44 -13.863   2.684   2.684
  289   3HG1  VAL  44          HG12      VAL  44 -13.953   1.567   1.567
  290   1HG2  VAL  44          HG21      VAL  44 -10.755   4.307   4.307
  291   2HG2  VAL  44          HG23      VAL  44 -12.414   4.803   4.803
  292   3HG2  VAL  44          HG22      VAL  44 -11.637   3.582   3.582
  293    H    VAL  45           HN       VAL  45  -8.707   2.577   2.577
  294    HA   VAL  45           HA       VAL  45  -7.734   2.637   2.637
  295    HB   VAL  45           HB       VAL  45  -6.243   1.595   1.595
  296   1HG1  VAL  45          HG13      VAL  45  -4.777   2.797   2.797
  297   2HG1  VAL  45          HG12      VAL  45  -5.404   1.811   1.811
  298   3HG1  VAL  45          HG11      VAL  45  -4.461   1.062   1.062
  299   1HG2  VAL  45          HG23      VAL  45  -8.009   0.371   0.371
  300   2HG2  VAL  45          HG22      VAL  45  -7.186  -0.377  -0.377
  301   3HG2  VAL  45          HG21      VAL  45  -6.379  -0.275  -0.275
  302    H    THR  46           HN       THR  46  -6.318   4.287   4.287
  303    HA   THR  46           HA       THR  46  -5.252   6.018   6.018
  304    HB   THR  46           HB       THR  46  -6.874   7.614   7.614
  305    HG1  THR  46           HG1      THR  46  -8.586   6.438   6.438
  306   1HG2  THR  46          HG22      THR  46  -5.633   7.951   7.951
  307   2HG2  THR  46          HG21      THR  46  -7.329   7.795   7.795
  308   3HG2  THR  46          HG23      THR  46  -6.835   9.045   9.045
  309    H    ILE  47           HN       ILE  47  -3.524   7.157   7.157
  310    HA   ILE  47           HA       ILE  47  -2.968   7.106   7.106
  311    HB   ILE  47           HB       ILE  47  -1.138   6.708   6.708
  312   1HG1  ILE  47          HG12      ILE  47  -1.871   5.269   5.269
  313   2HG1  ILE  47          HG11      ILE  47  -1.503   4.619   4.619
  314   1HG2  ILE  47          HG23      ILE  47  -0.341   7.741   7.741
  315   2HG2  ILE  47          HG22      ILE  47   0.790   7.181   7.181
  316   3HG2  ILE  47          HG21      ILE  47  -0.185   8.611   8.611
  317   1HD1  ILE  47          HD11      ILE  47   0.912   5.507   5.507
  318   2HD1  ILE  47          HD13      ILE  47   0.400   5.502   5.502
  319   3HD1  ILE  47          HD12      ILE  47   0.399   4.001   4.001
  320    H    GLU  48           HN       GLU  48  -1.774   8.986   8.986
  321    HA   GLU  48           HA       GLU  48  -1.304  11.171  11.171
  322   1HB   GLU  48           HB2      GLU  48  -2.974  12.730  12.730
  323   2HB   GLU  48           HB1      GLU  48  -3.639  11.597  11.597
  324   1HG   GLU  48           HG2      GLU  48  -4.934  10.693  10.693
  325   2HG   GLU  48           HG1      GLU  48  -3.496  10.265  10.265
  326    H    GLY  49           HN       GLY  49  -0.177  12.852  12.852
  327   1HA   GLY  49           HA2      GLY  49   0.300  12.980  12.980
  328   2HA   GLY  49           HA1      GLY  49   1.692  12.445  12.445
  329    HA   PRO  50           HA       PRO  50   1.582  17.075  17.075
  330   1HB   PRO  50           HB2      PRO  50   4.149  17.408  17.408
  331   2HB   PRO  50           HB1      PRO  50   2.724  17.316  17.316
  332   1HG   PRO  50           HG2      PRO  50   4.819  15.248  15.248
  333   2HG   PRO  50           HG1      PRO  50   3.813  15.497  15.497
  334   1HD   PRO  50           HD2      PRO  50   3.389  13.528  13.528
  335   2HD   PRO  50           HD1      PRO  50   2.203  14.047  14.047
  336    H    ALA  51           HN       ALA  51   1.622  16.239  16.239
  337    HA   ALA  51           HA       ALA  51   4.086  17.223  17.223
  338   1HB   ALA  51           HB3      ALA  51   3.837  14.455  14.455
  339   2HB   ALA  51           HB2      ALA  51   3.495  14.665  14.665
  340   3HB   ALA  51           HB1      ALA  51   5.019  15.244  15.244
  341    HA   PRO  52           HA       PRO  52   1.370  18.103  18.103
  342   1HB   PRO  52           HB2      PRO  52   2.817  17.396  17.396
  343   2HB   PRO  52           HB1      PRO  52   3.171  18.823  18.823
  344   1HG   PRO  52           HG2      PRO  52   4.628  16.223  16.223
  345   2HG   PRO  52           HG1      PRO  52   5.239  17.830  17.830
  346   1HD   PRO  52           HD2      PRO  52   4.610  15.769  15.769
  347   2HD   PRO  52           HD1      PRO  52   4.877  17.477  17.477
  348    H    VAL  53           HN       VAL  53   2.947  15.000  15.000
  349    HA   VAL  53           HA       VAL  53   0.393  14.028  14.028
  350    HB   VAL  53           HB       VAL  53   2.920  12.404  12.404
  351   1HG1  VAL  53          HG13      VAL  53   0.372  12.066  12.066
  352   2HG1  VAL  53          HG12      VAL  53   1.565  12.218  12.218
  353   3HG1  VAL  53          HG11      VAL  53   1.755  10.973  10.973
  354   1HG2  VAL  53          HG22      VAL  53   3.485  14.671  14.671
  355   2HG2  VAL  53          HG21      VAL  53   3.748  13.364  13.364
  356   3HG2  VAL  53          HG23      VAL  53   2.319  14.389  14.389
  357    H    ASP  54           HN       ASP  54  -0.681  14.073  14.073
  358    HA   ASP  54           HA       ASP  54   0.354  12.151  12.151
  359   1HB   ASP  54           HB2      ASP  54  -1.803  14.233  14.233
  360   2HB   ASP  54           HB1      ASP  54  -1.774  13.004  13.004
  361    HA   PRO  55           HA       PRO  55  -3.761   9.903   9.903
  362   1HB   PRO  55           HB2      PRO  55  -5.544  10.973  10.973
  363   2HB   PRO  55           HB1      PRO  55  -5.556  11.350  11.350
  364   1HG   PRO  55           HG2      PRO  55  -4.560  13.014  13.014
  365   2HG   PRO  55           HG1      PRO  55  -5.275  13.529  13.529
  366   1HD   PRO  55           HD2      PRO  55  -2.535  13.576  13.576
  367   2HD   PRO  55           HD1      PRO  55  -3.251  13.576  13.576
  368    H    VAL  56           HN       VAL  56  -2.794   8.222   8.222
  369    HA   VAL  56           HA       VAL  56  -2.873   8.489   8.489
  370    HB   VAL  56           HB       VAL  56  -0.547   7.371   7.371
  371   1HG1  VAL  56          HG12      VAL  56  -1.370   7.443   7.443
  372   2HG1  VAL  56          HG11      VAL  56   0.161   8.297   8.297
  373   3HG1  VAL  56          HG13      VAL  56   0.013   6.618   6.618
  374   1HG2  VAL  56          HG23      VAL  56  -0.872  10.121  10.121
  375   2HG2  VAL  56          HG22      VAL  56  -0.766   9.790   9.790
  376   3HG2  VAL  56          HG21      VAL  56   0.624   9.488   9.488
  377    H    MET  57           HN       MET  57  -4.438   6.865   6.865
  378    HA   MET  57           HA       MET  57  -3.492   4.160   4.160
  379   1HB   MET  57           HB2      MET  57  -5.516   3.456   3.456
  380   2HB   MET  57           HB1      MET  57  -5.163   5.015   5.015
  381   1HG   MET  57           HG2      MET  57  -6.954   4.690   4.690
  382   2HG   MET  57           HG1      MET  57  -7.562   4.713   4.713
  383   1HE   MET  57           HE1      MET  57  -8.459   6.396   6.396
  384   2HE   MET  57           HE3      MET  57  -8.016   8.108   8.108
  385   3HE   MET  57           HE2      MET  57  -6.973   6.925   6.925
  386    H    VAL  58           HN       VAL  58  -3.823   2.661   2.661
  387    HA   VAL  58           HA       VAL  58  -5.554   3.448   3.448
  388    HB   VAL  58           HB       VAL  58  -3.346   1.690   1.690
  389   1HG1  VAL  58          HG13      VAL  58  -4.913   3.871   3.871
  390   2HG1  VAL  58          HG12      VAL  58  -3.198   4.205   4.205
  391   3HG1  VAL  58          HG11      VAL  58  -3.907   2.717   2.717
  392   1HG2  VAL  58          HG23      VAL  58  -2.748   4.289   4.289
  393   2HG2  VAL  58          HG22      VAL  58  -1.925   2.736   2.736
  394   3HG2  VAL  58          HG21      VAL  58  -1.697   3.718   3.718
  395    H    ASP  59           HN       ASP  59  -6.472   1.638   1.638
  396    HA   ASP  59           HA       ASP  59  -6.592  -0.897  -0.897
  397   1HB   ASP  59           HB2      ASP  59  -8.724   0.266   0.266
  398   2HB   ASP  59           HB1      ASP  59  -8.722   0.509   0.509
  399    H    ASN  60           HN       ASN  60  -5.733  -2.603  -2.603
  400    HA   ASN  60           HA       ASN  60  -5.244  -2.308  -2.308
  401   1HB   ASN  60           HB2      ASN  60  -3.909  -3.614  -3.614
  402   2HB   ASN  60           HB1      ASN  60  -4.545  -4.906  -4.906
  403   1HD2  ASN  60          HD22      ASN  60  -1.923  -2.226  -2.226
  404   2HD2  ASN  60          HD21      ASN  60  -2.924  -1.699  -1.699
  405    H    GLY  61           HN       GLY  61  -7.569  -3.866  -3.866
  406   1HA   GLY  61           HA2      GLY  61  -9.580  -4.859  -4.859
  407   2HA   GLY  61           HA1      GLY  61  -8.956  -4.812  -4.812
  408    H    ASP  62           HN       ASP  62  -7.012  -6.216  -6.216
  409    HA   ASP  62           HA       ASP  62  -7.669  -8.923  -8.923
  410   1HB   ASP  62           HB2      ASP  62  -5.283  -9.518  -9.518
  411   2HB   ASP  62           HB1      ASP  62  -5.467  -8.212  -8.212
  412    H    GLY  63           HN       GLY  63  -8.797  -7.604  -7.604
  413   1HA   GLY  63           HA2      GLY  63  -9.419  -8.348  -8.348
  414   2HA   GLY  63           HA1      GLY  63  -8.382  -9.752  -9.752
  415    H    THR  64           HN       THR  64  -6.471  -7.183  -7.183
  416    HA   THR  64           HA       THR  64  -5.666  -6.711  -6.711
  417    HB   THR  64           HB       THR  64  -3.310  -6.972  -6.972
  418    HG1  THR  64           HG1      THR  64  -4.007  -8.031  -8.031
  419   1HG2  THR  64          HG21      THR  64  -4.572  -8.974  -8.974
  420   2HG2  THR  64          HG23      THR  64  -4.960  -9.328  -9.328
  421   3HG2  THR  64          HG22      THR  64  -3.286  -9.390  -9.390
  422    H    TYR  65           HN       TYR  65  -4.821  -4.605  -4.605
  423    HA   TYR  65           HA       TYR  65  -4.891  -2.829  -2.829
  424   1HB   TYR  65           HB2      TYR  65  -5.999  -2.251  -2.251
  425   2HB   TYR  65           HB1      TYR  65  -5.987  -1.119  -1.119
  426    HD1  TYR  65           HD1      TYR  65  -6.566  -2.667  -2.667
  427    HD2  TYR  65           HD2      TYR  65  -8.215  -3.093  -3.093
  428    HE1  TYR  65           HE1      TYR  65  -8.543  -3.766  -3.766
  429    HE2  TYR  65           HE2      TYR  65 -10.202  -4.195  -4.195
  430    HH   TYR  65           HH       TYR  65 -10.545  -4.631  -4.631
  431    H    ASP  66           HN       ASP  66  -3.539  -0.900  -0.900
  432    HA   ASP  66           HA       ASP  66  -1.343  -1.278  -1.278
  433   1HB   ASP  66           HB2      ASP  66  -0.878  -0.031  -0.031
  434   2HB   ASP  66           HB1      ASP  66   0.268  -0.857  -0.857
  435    H    VAL  67           HN       VAL  67  -0.630   0.548   0.548
  436    HA   VAL  67           HA       VAL  67  -1.811   3.135   3.135
  437    HB   VAL  67           HB       VAL  67  -2.528   3.628   3.628
  438   1HG1  VAL  67          HG11      VAL  67  -3.483   1.398   1.398
  439   2HG1  VAL  67          HG13      VAL  67  -2.976   0.716   0.716
  440   3HG1  VAL  67          HG12      VAL  67  -4.152   2.031   2.031
  441   1HG2  VAL  67          HG22      VAL  67  -0.462   1.651   1.651
  442   2HG2  VAL  67          HG21      VAL  67  -0.862   3.201   3.201
  443   3HG2  VAL  67          HG23      VAL  67  -1.865   1.786   1.786
  444    H    GLU  68           HN       GLU  68  -0.317   4.953   4.953
  445    HA   GLU  68           HA       GLU  68   2.239   4.370   4.370
  446   1HB   GLU  68           HB2      GLU  68   2.270   5.238   5.238
  447   2HB   GLU  68           HB1      GLU  68   3.650   4.777   4.777
  448   1HG   GLU  68           HG2      GLU  68   3.238   2.848   2.848
  449   2HG   GLU  68           HG1      GLU  68   2.434   2.481   2.481
  450    H    PHE  69           HN       PHE  69   3.040   6.130   6.130
  451    HA   PHE  69           HA       PHE  69   2.474   8.810   8.810
  452   1HB   PHE  69           HB2      PHE  69   1.954   9.830   9.830
  453   2HB   PHE  69           HB1      PHE  69   0.933   8.399   8.399
  454    HD1  PHE  69           HD1      PHE  69   2.138   6.184   6.184
  455    HD2  PHE  69           HD2      PHE  69   3.145  10.223  10.223
  456    HE1  PHE  69           HE1      PHE  69   3.146   5.391   5.391
  457    HE2  PHE  69           HE2      PHE  69   4.156   9.426   9.426
  458    HZ   PHE  69           HZ       PHE  69   4.138   6.988   6.988
  459    H    GLU  70           HN       GLU  70   4.221  10.405  10.405
  460    HA   GLU  70           HA       GLU  70   6.569   9.227   9.227
  461   1HB   GLU  70           HB2      GLU  70   8.061   9.436   9.436
  462   2HB   GLU  70           HB1      GLU  70   6.642   8.581   8.581
  463   1HG   GLU  70           HG2      GLU  70   5.781  10.952  10.952
  464   2HG   GLU  70           HG1      GLU  70   7.471  11.433  11.433
  465    HA   PRO  71           HA       PRO  71   6.346  13.656  13.656
  466   1HB   PRO  71           HB2      PRO  71   7.359  13.313  13.313
  467   2HB   PRO  71           HB1      PRO  71   5.651  13.082  13.082
  468   1HG   PRO  71           HG2      PRO  71   7.733  11.031  11.031
  469   2HG   PRO  71           HG1      PRO  71   5.975  10.924  10.924
  470   1HD   PRO  71           HD2      PRO  71   7.523   9.828   9.828
  471   2HD   PRO  71           HD1      PRO  71   5.752   9.957   9.957
  472    H    LYS  72           HN       LYS  72   8.147  15.100  15.100
  473    HA   LYS  72           HA       LYS  72  10.904  14.157  14.157
  474   1HB   LYS  72           HB2      LYS  72   9.904  16.899  16.899
  475   2HB   LYS  72           HB1      LYS  72  11.384  16.097  16.097
  476   1HG   LYS  72           HG2      LYS  72   9.962  14.365  14.365
  477   2HG   LYS  72           HG1      LYS  72   8.546  15.341  15.341
  478   1HD   LYS  72           HD2      LYS  72  10.905  16.528  16.528
  479   2HD   LYS  72           HD1      LYS  72   9.616  15.690  15.690
  480   1HE   LYS  72           HE2      LYS  72   8.563  17.700  17.700
  481   2HE   LYS  72           HE1      LYS  72   8.198  17.343  17.343
  482   1HZ   LYS  72           HZ3      LYS  72  10.683  18.701  18.701
  483   2HZ   LYS  72           HZ2      LYS  72   9.280  19.537  19.537
  484   3HZ   LYS  72           HZ1      LYS  72  10.091  18.546  18.546
  485    H    GLU  73           HN       GLU  73   9.456  14.755  14.755
  486    HA   GLU  73           HA       GLU  73  11.619  16.399  16.399
  487   1HB   GLU  73           HB2      GLU  73  10.083  17.996  17.996
  488   2HB   GLU  73           HB1      GLU  73   9.899  18.062  18.062
  489   1HG   GLU  73           HG2      GLU  73   7.809  17.111  17.111
  490   2HG   GLU  73           HG1      GLU  73   8.160  16.135  16.135
  491    H    ALA  74           HN       ALA  74  10.341  16.757  16.757
  492    HA   ALA  74           HA       ALA  74  10.346  13.953  13.953
  493   1HB   ALA  74           HB2      ALA  74  11.462  16.175  16.175
  494   2HB   ALA  74           HB1      ALA  74   9.901  16.180  16.180
  495   3HB   ALA  74           HB3      ALA  74  10.964  14.778  14.778
  496    H    GLY  75           HN       GLY  75   8.387  12.943  12.943
  497   1HA   GLY  75           HA2      GLY  75   6.029  14.390  14.390
  498   2HA   GLY  75           HA1      GLY  75   5.959  13.949  13.949
  499    H    ASP  76           HN       ASP  76   4.133  12.963  12.963
  500    HA   ASP  76           HA       ASP  76   4.938  10.090  10.090
  501   1HB   ASP  76           HB2      ASP  76   2.868  10.088  10.088
  502   2HB   ASP  76           HB1      ASP  76   4.344  10.851  10.851
  503    H    TYR  77           HN       TYR  77   3.251   8.548   8.548
  504    HA   TYR  77           HA       TYR  77   1.515   9.652   9.652
  505   1HB   TYR  77           HB2      TYR  77   2.246   6.755   6.755
  506   2HB   TYR  77           HB1      TYR  77   1.757   7.648   7.648
  507    HD1  TYR  77           HD2      TYR  77   3.456  10.050  10.050
  508    HD2  TYR  77           HD1      TYR  77   4.346   5.901   5.901
  509    HE1  TYR  77           HE2      TYR  77   5.811  10.470  10.470
  510    HE2  TYR  77           HE1      TYR  77   6.701   6.308   6.308
  511    HH   TYR  77           HH       TYR  77   7.873   8.293   8.293
  512    H    VAL  78           HN       VAL  78  -0.581   9.192   9.192
  513    HA   VAL  78           HA       VAL  78  -1.666   7.462   7.462
  514    HB   VAL  78           HB       VAL  78  -2.548   9.587   9.587
  515   1HG1  VAL  78          HG11      VAL  78  -2.534   9.871   9.871
  516   2HG1  VAL  78          HG13      VAL  78  -3.607  10.889  10.889
  517   3HG1  VAL  78          HG12      VAL  78  -1.864  10.952  10.952
  518   1HG2  VAL  78          HG22      VAL  78  -4.229   7.626   7.626
  519   2HG2  VAL  78          HG21      VAL  78  -4.818   9.230   9.230
  520   3HG2  VAL  78          HG23      VAL  78  -4.694   8.767   8.767
  521    H    ILE  79           HN       ILE  79  -2.636   5.683   5.683
  522    HA   ILE  79           HA       ILE  79  -3.056   5.529   5.529
  523    HB   ILE  79           HB       ILE  79  -3.313   2.998   2.998
  524   1HG1  ILE  79          HG12      ILE  79  -0.713   4.532   4.532
  525   2HG1  ILE  79          HG11      ILE  79  -1.787   4.035   4.035
  526   1HG2  ILE  79          HG23      ILE  79  -2.710   3.740   3.740
  527   2HG2  ILE  79          HG22      ILE  79  -1.066   3.687   3.687
  528   3HG2  ILE  79          HG21      ILE  79  -2.076   2.242   2.242
  529   1HD1  ILE  79          HD11      ILE  79  -1.007   1.839   1.839
  530   2HD1  ILE  79          HD13      ILE  79   0.343   2.560   2.560
  531   3HD1  ILE  79          HD12      ILE  79  -1.033   1.897   1.897
  532    H    ASN  80           HN       ASN  80  -4.789   4.384   4.384
  533    HA   ASN  80           HA       ASN  80  -7.145   3.957   3.957
  534   1HB   ASN  80           HB2      ASN  80  -7.437   5.681   5.681
  535   2HB   ASN  80           HB1      ASN  80  -8.527   5.506   5.506
  536   1HD2  ASN  80          HD21      ASN  80  -7.995   6.638   6.638
  537   2HD2  ASN  80          HD22      ASN  80  -6.854   7.895   7.895
  538    H    LEU  81           HN       LEU  81  -7.665   1.951   1.951
  539    HA   LEU  81           HA       LEU  81  -8.005   1.365   1.365
  540   1HB   LEU  81           HB2      LEU  81  -5.890   0.342   0.342
  541   2HB   LEU  81           HB1      LEU  81  -6.220  -0.133  -0.133
  542    HG   LEU  81           HG       LEU  81  -7.969  -1.239  -1.239
  543   1HD1  LEU  81          HD13      LEU  81  -5.085  -1.652  -1.652
  544   2HD1  LEU  81          HD12      LEU  81  -6.002  -3.152  -3.152
  545   3HD1  LEU  81          HD11      LEU  81  -6.189  -2.139  -2.139
  546   1HD2  LEU  81          HD21      LEU  81  -7.132  -1.802  -1.802
  547   2HD2  LEU  81          HD23      LEU  81  -8.701  -2.032  -2.032
  548   3HD2  LEU  81          HD22      LEU  81  -7.412  -3.210  -3.210
  549    H    THR  82           HN       THR  82  -9.962   0.456   0.456
  550    HA   THR  82           HA       THR  82 -11.112  -1.029  -1.029
  551    HB   THR  82           HB       THR  82 -13.274   0.244   0.244
  552    HG1  THR  82           HG1      THR  82 -11.466   1.501   1.501
  553   1HG2  THR  82          HG23      THR  82 -10.945   0.959   0.959
  554   2HG2  THR  82          HG22      THR  82 -11.727   2.426   2.426
  555   3HG2  THR  82          HG21      THR  82 -12.638   1.270   1.270
  556    H    LEU  83           HN       LEU  83 -12.336  -2.768  -2.768
  557    HA   LEU  83           HA       LEU  83 -13.175  -3.063  -3.063
  558   1HB   LEU  83           HB2      LEU  83 -11.016  -4.325  -4.325
  559   2HB   LEU  83           HB1      LEU  83 -11.927  -5.336  -5.336
  560    HG   LEU  83           HG       LEU  83 -11.609  -6.119  -6.119
  561   1HD1  LEU  83          HD11      LEU  83 -13.157  -7.010  -7.010
  562   2HD1  LEU  83          HD13      LEU  83 -14.445  -6.182  -6.182
  563   3HD1  LEU  83          HD12      LEU  83 -13.522  -7.459  -7.459
  564   1HD2  LEU  83          HD23      LEU  83 -12.584  -3.820  -3.820
  565   2HD2  LEU  83          HD22      LEU  83 -13.143  -5.277  -5.277
  566   3HD2  LEU  83          HD21      LEU  83 -14.148  -4.520  -4.520
  567    H    ASP  84           HN       ASP  84 -15.192  -2.381  -2.381
  568    HA   ASP  84           HA       ASP  84 -17.283  -3.945  -3.945
  569   1HB   ASP  84           HB2      ASP  84 -15.635  -4.809  -4.809
  570   2HB   ASP  84           HB1      ASP  84 -17.394  -4.843  -4.843
  571    H    GLY  85           HN       GLY  85 -15.436  -1.687  -1.687
  572   1HA   GLY  85           HA2      GLY  85 -16.893   0.468   0.468
  573   2HA   GLY  85           HA1      GLY  85 -17.907  -0.580  -0.580
  574    H    ASP  86           HN       ASP  86 -14.896  -1.785  -1.785
  575    HA   ASP  86           HA       ASP  86 -14.352   0.190   0.190
  576   1HB   ASP  86           HB2      ASP  86 -14.467  -2.821  -2.821
  577   2HB   ASP  86           HB1      ASP  86 -13.375  -1.973  -1.973
  578    H    ASN  87           HN       ASN  87 -11.905  -0.271  -0.271
  579    HA   ASN  87           HA       ASN  87 -10.350  -0.569  -0.569
  580   1HB   ASN  87           HB2      ASN  87  -9.119   0.709   0.709
  581   2HB   ASN  87           HB1      ASN  87  -8.930   1.113   1.113
  582   1HD2  ASN  87          HD22      ASN  87 -11.201   3.776   3.776
  583   2HD2  ASN  87          HD21      ASN  87  -9.785   3.154   3.154
  584    H    VAL  88           HN       VAL  88  -8.205  -1.545  -1.545
  585    HA   VAL  88           HA       VAL  88  -8.394  -4.000  -4.000
  586    HB   VAL  88           HB       VAL  88  -6.245  -2.640  -2.640
  587   1HG1  VAL  88          HG11      VAL  88  -5.096  -3.669  -3.669
  588   2HG1  VAL  88          HG13      VAL  88  -5.830  -5.215  -5.215
  589   3HG1  VAL  88          HG12      VAL  88  -4.680  -4.449  -4.449
  590   1HG2  VAL  88          HG21      VAL  88  -8.077  -3.976  -3.976
  591   2HG2  VAL  88          HG23      VAL  88  -6.485  -4.673  -4.673
  592   3HG2  VAL  88          HG22      VAL  88  -7.541  -5.372  -5.372
  593    H    ASN  89           HN       ASN  89  -6.534  -4.649  -4.649
  594    HA   ASN  89           HA       ASN  89  -6.697  -2.747  -2.747
  595   1HB   ASN  89           HB2      ASN  89  -6.527  -5.476  -5.476
  596   2HB   ASN  89           HB1      ASN  89  -4.891  -5.037  -5.037
  597   1HD2  ASN  89          HD21      ASN  89  -4.729  -5.078  -5.078
  598   2HD2  ASN  89          HD22      ASN  89  -5.934  -4.560  -4.560
  599    H    GLY  90           HN       GLY  90  -4.940  -2.129  -2.129
  600   1HA   GLY  90           HA2      GLY  90  -2.660  -1.155  -1.155
  601   2HA   GLY  90           HA1      GLY  90  -2.261  -2.177  -2.177
  602    H    PHE  91           HN       PHE  91  -5.065  -0.225  -0.225
  603    HA   PHE  91           HA       PHE  91  -3.555   1.548   1.548
  604   1HB   PHE  91           HB2      PHE  91  -6.117   0.147   0.147
  605   2HB   PHE  91           HB1      PHE  91  -6.143   1.821   1.821
  606    HD1  PHE  91           HD1      PHE  91  -4.309  -1.391  -1.391
  607    HD2  PHE  91           HD2      PHE  91  -5.042   2.445   2.445
  608    HE1  PHE  91           HE1      PHE  91  -3.010  -2.045  -2.045
  609    HE2  PHE  91           HE2      PHE  91  -3.756   1.809   1.809
  610    HZ   PHE  91           HZ       PHE  91  -2.747  -0.465  -0.465
  611    HA   PRO  92           HA       PRO  92  -6.446   4.568   4.568
  612   1HB   PRO  92           HB2      PRO  92  -7.619   3.791   3.791
  613   2HB   PRO  92           HB1      PRO  92  -8.417   3.683   3.683
  614   1HG   PRO  92           HG2      PRO  92  -7.242   1.506   1.506
  615   2HG   PRO  92           HG1      PRO  92  -8.537   1.425   1.425
  616   1HD   PRO  92           HD2      PRO  92  -5.860   0.638   0.638
  617   2HD   PRO  92           HD1      PRO  92  -7.061   0.878   0.878
  618    H    LYS  93           HN       LYS  93  -3.839   2.975   2.975
  619    HA   LYS  93           HA       LYS  93  -3.235   4.375   4.375
  620   1HB   LYS  93           HB2      LYS  93  -2.735   1.853   1.853
  621   2HB   LYS  93           HB1      LYS  93  -1.418   2.448   2.448
  622   1HG   LYS  93           HG2      LYS  93  -0.270   3.372   3.372
  623   2HG   LYS  93           HG1      LYS  93  -1.733   3.543   3.543
  624   1HD   LYS  93           HD2      LYS  93  -1.754   1.284   1.284
  625   2HD   LYS  93           HD1      LYS  93  -0.769   0.802   0.802
  626   1HE   LYS  93           HE2      LYS  93   0.902   0.748   0.748
  627   2HE   LYS  93           HE1      LYS  93   0.957   2.484   2.484
  628   1HZ   LYS  93           HZ2      LYS  93  -0.907   2.510   2.510
  629   2HZ   LYS  93           HZ1      LYS  93  -0.204   1.034   1.034
  630   3HZ   LYS  93           HZ3      LYS  93   0.729   2.451   2.451
  631    H    THR  94           HN       THR  94  -0.853   5.181   5.181
  632    HA   THR  94           HA       THR  94  -0.399   6.563   6.563
  633    HB   THR  94           HB       THR  94   0.048   7.747   7.747
  634    HG1  THR  94           HG1      THR  94  -2.202   7.304   7.304
  635   1HG2  THR  94          HG23      THR  94   0.060   8.921   8.921
  636   2HG2  THR  94          HG22      THR  94   0.256   9.842   9.842
  637   3HG2  THR  94          HG21      THR  94   1.474   8.656   8.656
  638    H    VAL  95           HN       VAL  95   1.585   6.356   6.356
  639    HA   VAL  95           HA       VAL  95   3.615   5.123   5.123
  640    HB   VAL  95           HB       VAL  95   3.290   5.222   5.222
  641   1HG1  VAL  95          HG13      VAL  95   5.860   4.925   4.925
  642   2HG1  VAL  95          HG12      VAL  95   5.626   4.099   4.099
  643   3HG1  VAL  95          HG11      VAL  95   5.557   5.857   5.857
  644   1HG2  VAL  95          HG21      VAL  95   3.084   3.298   3.298
  645   2HG2  VAL  95          HG23      VAL  95   2.747   3.079   3.079
  646   3HG2  VAL  95          HG22      VAL  95   4.374   2.806   2.806
  647    H    THR  96           HN       THR  96   5.806   6.105   6.105
  648    HA   THR  96           HA       THR  96   5.610   9.039   9.039
  649    HB   THR  96           HB       THR  96   7.029   7.585   7.585
  650    HG1  THR  96           HG1      THR  96   4.547   8.465   8.465
  651   1HG2  THR  96          HG22      THR  96   7.306  10.297  10.297
  652   2HG2  THR  96          HG21      THR  96   6.986  10.261  10.261
  653   3HG2  THR  96          HG23      THR  96   8.380   9.403   9.403
  654    H    VAL  97           HN       VAL  97   7.330  10.152  10.152
  655    HA   VAL  97           HA       VAL  97   9.881   8.777   8.777
  656    HB   VAL  97           HB       VAL  97   8.030  10.100  10.100
  657   1HG1  VAL  97          HG11      VAL  97  11.049   9.982   9.982
  658   2HG1  VAL  97          HG13      VAL  97  10.014  10.316  10.316
  659   3HG1  VAL  97          HG12      VAL  97  10.046  11.436  11.436
  660   1HG2  VAL  97          HG23      VAL  97   9.634   7.595   7.595
  661   2HG2  VAL  97          HG22      VAL  97   8.002   7.811   7.811
  662   3HG2  VAL  97          HG21      VAL  97   9.388   8.252   8.252
  663    H    LYS  98           HN       LYS  98  11.581  10.137  10.137
  664    HA   LYS  98           HA       LYS  98  10.861  12.998  12.998
  665   1HB   LYS  98           HB2      LYS  98  12.064  11.017  11.017
  666   2HB   LYS  98           HB1      LYS  98  12.902  12.568  12.568
  667   1HG   LYS  98           HG2      LYS  98  10.710  13.714  13.714
  668   2HG   LYS  98           HG1      LYS  98   9.949  12.131  12.131
  669   1HD   LYS  98           HD2      LYS  98  10.524  12.108  12.108
  670   2HD   LYS  98           HD1      LYS  98  12.224  12.142  12.142
  671   1HE   LYS  98           HE2      LYS  98  12.424  14.270  14.270
  672   2HE   LYS  98           HE1      LYS  98  11.074  14.769  14.769
  673   1HZ   LYS  98           HZ2      LYS  98  10.120  13.304  13.304
  674   2HZ   LYS  98           HZ1      LYS  98  11.114  14.568  14.568
  675   3HZ   LYS  98           HZ3      LYS  98   9.779  14.908  14.908
  676    HA   PRO  99           HA       PRO  99  15.438  13.269  13.269
  677   1HB   PRO  99           HB2      PRO  99  16.893  10.963  10.963
  678   2HB   PRO  99           HB1      PRO  99  16.741  11.800  11.800
  679   1HG   PRO  99           HG2      PRO  99  15.429   9.283   9.283
  680   2HG   PRO  99           HG1      PRO  99  15.842   9.800   9.800
  681   1HD   PRO  99           HD2      PRO  99  13.277   9.891   9.891
  682   2HD   PRO  99           HD1      PRO  99  13.782  10.742  10.742
  683    H    ALA 100           HN       ALA 100  13.894  13.654  13.654
  684    HA   ALA 100           HA       ALA 100  14.164  11.749  11.749
  685   1HB   ALA 100           HB1      ALA 100  12.206  13.448  13.448
  686   2HB   ALA 100           HB3      ALA 100  13.247  14.587  14.587
  687   3HB   ALA 100           HB2      ALA 100  12.703  13.121  13.121

  Start of MODEL   11
    1   1H    ALA   1           HT2      ALA   1 -17.810  -9.667  -9.667
    2   2H    ALA   1           HT1      ALA   1 -18.563  -8.445  -8.445
    3   3H    ALA   1           HT3      ALA   1 -19.063 -10.057 -10.057
    4    HA   ALA   1           HA       ALA   1 -17.382 -10.601 -10.601
    5   1HB   ALA   1           HB1      ALA   1 -18.015  -7.734  -7.734
    6   2HB   ALA   1           HB3      ALA   1 -16.458  -8.166  -8.166
    7   3HB   ALA   1           HB2      ALA   1 -17.931  -8.958  -8.958
    8    H    ASP   2           HN       ASP   2 -15.583 -11.491 -11.491
    9    HA   ASP   2           HA       ASP   2 -13.510 -11.657 -11.657
   10   1HB   ASP   2           HB2      ASP   2 -12.810 -10.836 -10.836
   11   2HB   ASP   2           HB1      ASP   2 -13.181  -9.180  -9.180
   12    HA   PRO   3           HA       PRO   3 -14.419  -8.165  -8.165
   13   1HB   PRO   3           HB2      PRO   3 -15.940  -9.551  -9.551
   14   2HB   PRO   3           HB1      PRO   3 -16.648  -8.644  -8.644
   15   1HG   PRO   3           HG2      PRO   3 -16.348 -11.593 -11.593
   16   2HG   PRO   3           HG1      PRO   3 -17.539 -10.687 -10.687
   17   1HD   PRO   3           HD2      PRO   3 -15.240 -11.992 -11.992
   18   2HD   PRO   3           HD1      PRO   3 -16.271 -10.831 -10.831
   19    H    GLU   4           HN       GLU   4 -13.000 -11.140 -11.140
   20    HA   GLU   4           HA       GLU   4 -11.503 -10.858 -10.858
   21   1HB   GLU   4           HB2      GLU   4 -13.533 -12.654 -12.654
   22   2HB   GLU   4           HB1      GLU   4 -12.124 -13.600 -13.600
   23   1HG   GLU   4           HG2      GLU   4 -12.044 -11.962 -11.962
   24   2HG   GLU   4           HG1      GLU   4 -12.814 -13.550 -13.550
   25    H    LYS   5           HN       LYS   5 -11.109 -10.802 -10.802
   26    HA   LYS   5           HA       LYS   5  -8.501 -12.204 -12.204
   27   1HB   LYS   5           HB2      LYS   5 -10.124 -12.509 -12.509
   28   2HB   LYS   5           HB1      LYS   5  -8.856 -13.554 -13.554
   29   1HG   LYS   5           HG2      LYS   5 -11.490 -13.245 -13.245
   30   2HG   LYS   5           HG1      LYS   5 -11.293 -14.412 -14.412
   31   1HD   LYS   5           HD2      LYS   5  -9.083 -14.516 -14.516
   32   2HD   LYS   5           HD1      LYS   5 -10.640 -14.838 -14.838
   33   1HE   LYS   5           HE2      LYS   5 -10.449 -16.183 -16.183
   34   2HE   LYS   5           HE1      LYS   5  -9.115 -16.646 -16.646
   35   1HZ   LYS   5           HZ1      LYS   5 -10.718 -17.147 -17.147
   36   2HZ   LYS   5           HZ3      LYS   5 -11.997 -16.716 -16.716
   37   3HZ   LYS   5           HZ2      LYS   5 -11.031 -18.066 -18.066
   38    H    SER   6           HN       SER   6  -9.241  -9.454  -9.454
   39    HA   SER   6           HA       SER   6  -8.262  -8.486  -8.486
   40   1HB   SER   6           HB2      SER   6  -9.645  -6.800  -6.800
   41   2HB   SER   6           HB1      SER   6  -9.417  -6.445  -6.445
   42    HG   SER   6           HG       SER   6 -10.955  -8.590  -8.590
   43    H    TYR   7           HN       TYR   7  -6.131  -8.054  -8.054
   44    HA   TYR   7           HA       TYR   7  -5.165  -6.477  -6.477
   45   1HB   TYR   7           HB2      TYR   7  -3.131  -7.915  -7.915
   46   2HB   TYR   7           HB1      TYR   7  -4.611  -8.783  -8.783
   47    HD1  TYR   7           HD2      TYR   7  -5.803 -10.046 -10.046
   48    HD2  TYR   7           HD1      TYR   7  -1.708  -8.755  -8.755
   49    HE1  TYR   7           HE2      TYR   7  -5.336 -11.687 -11.687
   50    HE2  TYR   7           HE1      TYR   7  -1.242 -10.394 -10.394
   51    HH   TYR   7           HH       TYR   7  -2.098 -12.371 -12.371
   52    H    ALA   8           HN       ALA   8  -3.526  -5.026  -5.026
   53    HA   ALA   8           HA       ALA   8  -2.601  -4.940  -4.940
   54   1HB   ALA   8           HB2      ALA   8  -4.007  -2.966  -2.966
   55   2HB   ALA   8           HB1      ALA   8  -2.354  -2.386  -2.386
   56   3HB   ALA   8           HB3      ALA   8  -3.322  -2.814  -2.814
   57    H    GLU   9           HN       GLU   9  -0.410  -5.303  -5.303
   58    HA   GLU   9           HA       GLU   9   1.275  -4.233  -4.233
   59   1HB   GLU   9           HB2      GLU   9   2.612  -6.458  -6.458
   60   2HB   GLU   9           HB1      GLU   9   1.131  -6.469  -6.469
   61   1HG   GLU   9           HG2      GLU   9  -0.092  -7.159  -7.159
   62   2HG   GLU   9           HG1      GLU   9   1.495  -7.420  -7.420
   63    H    GLY  10           HN       GLY  10   3.272  -3.503  -3.503
   64   1HA   GLY  10           HA2      GLY  10   4.377  -4.240  -4.240
   65   2HA   GLY  10           HA1      GLY  10   3.722  -2.609  -2.609
   66    HA   PRO  11           HA       PRO  11   8.032  -2.531  -2.531
   67   1HB   PRO  11           HB2      PRO  11   9.300  -1.454  -1.454
   68   2HB   PRO  11           HB1      PRO  11   9.191  -3.198  -3.198
   69   1HG   PRO  11           HG2      PRO  11   7.702  -1.536  -1.536
   70   2HG   PRO  11           HG1      PRO  11   8.109  -3.259  -3.259
   71   1HD   PRO  11           HD2      PRO  11   5.585  -2.173  -2.173
   72   2HD   PRO  11           HD1      PRO  11   6.100  -3.855  -3.855
   73    H    GLY  12           HN       GLY  12   5.539  -0.673  -0.673
   74   1HA   GLY  12           HA2      GLY  12   6.891   1.927   1.927
   75   2HA   GLY  12           HA1      GLY  12   5.432   1.754   1.754
   76    H    LEU  13           HN       LEU  13   5.607   3.395   3.395
   77    HA   LEU  13           HA       LEU  13   3.950   3.879   3.879
   78   1HB   LEU  13           HB2      LEU  13   2.107   2.624   2.624
   79   2HB   LEU  13           HB1      LEU  13   2.787   1.773   1.773
   80    HG   LEU  13           HG       LEU  13   3.853   0.578   0.578
   81   1HD1  LEU  13          HD12      LEU  13   1.789   1.725   1.725
   82   2HD1  LEU  13          HD11      LEU  13   0.849   0.599   0.599
   83   3HD1  LEU  13          HD13      LEU  13   1.940  -0.013  -0.013
   84   1HD2  LEU  13          HD21      LEU  13   2.459  -0.150  -0.150
   85   2HD2  LEU  13          HD23      LEU  13   3.577  -1.110  -1.110
   86   3HD2  LEU  13          HD22      LEU  13   1.860  -1.082  -1.082
   87    H    ASP  14           HN       ASP  14   6.514   1.798   1.798
   88    HA   ASP  14           HA       ASP  14   6.442   1.008   1.008
   89   1HB   ASP  14           HB2      ASP  14   8.946   1.563   1.563
   90   2HB   ASP  14           HB1      ASP  14   8.682   0.353   0.353
   91    H    GLY  15           HN       GLY  15   6.981   3.902   3.902
   92   1HA   GLY  15           HA2      GLY  15   7.373   6.081   6.081
   93   2HA   GLY  15           HA1      GLY  15   7.410   5.411   5.411
   94    H    GLY  16           HN       GLY  16   9.233   6.059   6.059
   95   1HA   GLY  16           HA2      GLY  16  11.538   6.224   6.224
   96   2HA   GLY  16           HA1      GLY  16  11.757   5.002   5.002
   97    H    GLU  17           HN       GLU  17  11.210   6.091   6.091
   98    HA   GLU  17           HA       GLU  17  12.705   8.683   8.683
   99   1HB   GLU  17           HB2      GLU  17  13.060   6.286   6.286
  100   2HB   GLU  17           HB1      GLU  17  13.711   7.863   7.863
  101   1HG   GLU  17           HG2      GLU  17  15.509   7.331   7.331
  102   2HG   GLU  17           HG1      GLU  17  14.455   7.452   7.452
  103    H    CYS  18           HN       CYS  18  12.063  10.205  10.205
  104    HA   CYS  18           HA       CYS  18   9.467   9.833   9.833
  105   1HB   CYS  18           HB2      CYS  18  11.155  12.224  12.224
  106   2HB   CYS  18           HB1      CYS  18  10.075  12.335  12.335
  107    HG   CYS  18           HG       CYS  18   8.710  13.044  13.044
  108    H    PHE  19           HN       PHE  19  12.846   9.946   9.946
  109    HA   PHE  19           HA       PHE  19  12.271  10.546  10.546
  110   1HB   PHE  19           HB2      PHE  19  14.816  10.167  10.167
  111   2HB   PHE  19           HB1      PHE  19  14.826  10.155  10.155
  112    HD1  PHE  19           HD1      PHE  19  12.843  11.989  11.989
  113    HD2  PHE  19           HD2      PHE  19  15.490  12.292  12.292
  114    HE1  PHE  19           HE1      PHE  19  12.534  14.441  14.441
  115    HE2  PHE  19           HE2      PHE  19  15.179  14.752  14.752
  116    HZ   PHE  19           HZ       PHE  19  13.670  15.804  15.804
  117    H    GLN  20           HN       GLN  20  11.630   7.969   7.969
  118    HA   GLN  20           HA       GLN  20  12.799   6.038   6.038
  119   1HB   GLN  20           HB2      GLN  20  11.961   5.886   5.886
  120   2HB   GLN  20           HB1      GLN  20  11.127   4.676   4.676
  121   1HG   GLN  20           HG2      GLN  20  13.748   4.576   4.576
  122   2HG   GLN  20           HG1      GLN  20  13.929   4.782   4.782
  123   1HE2  GLN  20          HE22      GLN  20  12.886   1.497   1.497
  124   2HE2  GLN  20          HE21      GLN  20  13.538   2.956   2.956
  125    HA   PRO  21           HA       PRO  21   8.993   6.155   6.155
  126   1HB   PRO  21           HB2      PRO  21   8.976   3.600   3.600
  127   2HB   PRO  21           HB1      PRO  21   9.974   4.918   4.918
  128   1HG   PRO  21           HG2      PRO  21  10.787   2.594   2.594
  129   2HG   PRO  21           HG1      PRO  21  11.730   3.483   3.483
  130   1HD   PRO  21           HD2      PRO  21  11.970   3.822   3.822
  131   2HD   PRO  21           HD1      PRO  21  12.502   5.005   5.005
  132    H    SER  22           HN       SER  22   6.914   5.948   5.948
  133    HA   SER  22           HA       SER  22   6.552   3.769   3.769
  134   1HB   SER  22           HB2      SER  22   6.019   6.467   6.467
  135   2HB   SER  22           HB1      SER  22   4.450   5.749   5.749
  136    HG   SER  22           HG       SER  22   5.604   5.914   5.914
  137    H    LYS  23           HN       LYS  23   5.731   1.989   1.989
  138    HA   LYS  23           HA       LYS  23   3.216   2.333   2.333
  139   1HB   LYS  23           HB2      LYS  23   5.378   0.656   0.656
  140   2HB   LYS  23           HB1      LYS  23   3.946   1.343   1.343
  141   1HG   LYS  23           HG2      LYS  23   5.044   3.642   3.642
  142   2HG   LYS  23           HG1      LYS  23   6.529   2.703   2.703
  143   1HD   LYS  23           HD2      LYS  23   4.727   2.877   2.877
  144   2HD   LYS  23           HD1      LYS  23   6.366   3.511   3.511
  145   1HE   LYS  23           HE2      LYS  23   7.229   1.223   1.223
  146   2HE   LYS  23           HE1      LYS  23   5.591   0.584   0.584
  147   1HZ   LYS  23           HZ3      LYS  23   7.026   2.132   2.132
  148   2HZ   LYS  23           HZ2      LYS  23   6.795   0.449   0.449
  149   3HZ   LYS  23           HZ1      LYS  23   5.461   1.493   1.493
  150    H    PHE  24           HN       PHE  24   1.874   0.628   0.628
  151    HA   PHE  24           HA       PHE  24   3.025  -1.925  -1.925
  152   1HB   PHE  24           HB2      PHE  24   0.594  -1.512  -1.512
  153   2HB   PHE  24           HB1      PHE  24   2.216  -1.750  -1.750
  154    HD1  PHE  24           HD1      PHE  24   3.783   0.394   0.394
  155    HD2  PHE  24           HD2      PHE  24  -0.497   0.443   0.443
  156    HE1  PHE  24           HE1      PHE  24   3.864   2.757   2.757
  157    HE2  PHE  24           HE2      PHE  24  -0.417   2.808   2.808
  158    HZ   PHE  24           HZ       PHE  24   1.780   3.951   3.951
  159    H    LYS  25           HN       LYS  25   1.511  -3.730  -3.730
  160    HA   LYS  25           HA       LYS  25  -0.539  -3.180  -3.180
  161   1HB   LYS  25           HB2      LYS  25   1.019  -5.734  -5.734
  162   2HB   LYS  25           HB1      LYS  25  -0.156  -5.495  -5.495
  163   1HG   LYS  25           HG2      LYS  25   1.344  -3.476  -3.476
  164   2HG   LYS  25           HG1      LYS  25   2.573  -4.262  -4.262
  165   1HD   LYS  25           HD2      LYS  25   1.359  -6.261  -6.261
  166   2HD   LYS  25           HD1      LYS  25   1.801  -4.901  -4.901
  167   1HE   LYS  25           HE2      LYS  25   3.948  -5.564  -5.564
  168   2HE   LYS  25           HE1      LYS  25   3.944  -5.282  -5.282
  169   1HZ   LYS  25           HZ1      LYS  25   2.588  -7.660  -7.660
  170   2HZ   LYS  25           HZ3      LYS  25   3.980  -7.737  -7.737
  171   3HZ   LYS  25           HZ2      LYS  25   4.122  -7.456  -7.456
  172    H    ILE  26           HN       ILE  26  -2.611  -4.029  -4.029
  173    HA   ILE  26           HA       ILE  26  -2.979  -5.221  -5.221
  174    HB   ILE  26           HB       ILE  26  -5.139  -3.845  -3.845
  175   1HG1  ILE  26          HG12      ILE  26  -2.832  -2.664  -2.664
  176   2HG1  ILE  26          HG11      ILE  26  -3.509  -2.149  -2.149
  177   1HG2  ILE  26          HG23      ILE  26  -4.581  -4.252  -4.252
  178   2HG2  ILE  26          HG22      ILE  26  -5.978  -3.401  -3.401
  179   3HG2  ILE  26          HG21      ILE  26  -5.775  -5.129  -5.129
  180   1HD1  ILE  26          HD11      ILE  26  -5.635  -1.914  -1.914
  181   2HD1  ILE  26          HD13      ILE  26  -4.235  -1.322  -1.322
  182   3HD1  ILE  26          HD12      ILE  26  -4.665  -0.594  -0.594
  183    H    HIS  27           HN       HIS  27  -4.390  -6.950  -6.950
  184    HA   HIS  27           HA       HIS  27  -5.398  -8.201  -8.201
  185   1HB   HIS  27           HB2      HIS  27  -4.140  -9.840  -9.840
  186   2HB   HIS  27           HB1      HIS  27  -4.450 -10.297 -10.297
  187    HD1  HIS  27           HD1      HIS  27  -2.485  -7.545  -7.545
  188    HD2  HIS  27           HD2      HIS  27  -2.133 -10.135 -10.135
  189    HE1  HIS  27           HE1      HIS  27  -0.259  -7.048  -7.048
  190    H    ALA  28           HN       ALA  28  -7.515  -8.483  -8.483
  191    HA   ALA  28           HA       ALA  28  -8.640  -8.920  -8.920
  192   1HB   ALA  28           HB3      ALA  28  -9.614  -7.621  -7.621
  193   2HB   ALA  28           HB2      ALA  28 -10.815  -8.528  -8.528
  194   3HB   ALA  28           HB1      ALA  28  -9.932  -7.204  -7.204
  195    H    VAL  29           HN       VAL  29  -9.734 -10.853 -10.853
  196    HA   VAL  29           HA       VAL  29 -10.121 -12.720 -12.720
  197    HB   VAL  29           HB       VAL  29  -8.844 -13.213 -13.213
  198   1HG1  VAL  29          HG13      VAL  29 -10.497 -15.188 -15.188
  199   2HG1  VAL  29          HG12      VAL  29  -9.229 -15.702 -15.702
  200   3HG1  VAL  29          HG11      VAL  29 -10.624 -14.810 -14.810
  201   1HG2  VAL  29          HG23      VAL  29  -8.346 -13.872 -13.872
  202   2HG2  VAL  29          HG22      VAL  29  -7.277 -13.074 -13.074
  203   3HG2  VAL  29          HG21      VAL  29  -7.562 -14.811 -14.811
  204    H    ASP  30           HN       ASP  30 -12.185 -13.299 -13.299
  205    HA   ASP  30           HA       ASP  30 -14.058 -12.819 -12.819
  206   1HB   ASP  30           HB2      ASP  30 -15.681 -12.368 -12.368
  207   2HB   ASP  30           HB1      ASP  30 -14.261 -11.920 -11.920
  208    HA   PRO  31           HA       PRO  31 -14.971 -17.103 -17.103
  209   1HB   PRO  31           HB2      PRO  31 -17.691 -17.340 -17.340
  210   2HB   PRO  31           HB1      PRO  31 -16.911 -16.633 -16.633
  211   1HG   PRO  31           HG2      PRO  31 -18.380 -15.270 -15.270
  212   2HG   PRO  31           HG1      PRO  31 -18.100 -14.732 -14.732
  213   1HD   PRO  31           HD2      PRO  31 -16.707 -13.855 -13.855
  214   2HD   PRO  31           HD1      PRO  31 -16.270 -13.506 -13.506
  215    H    ASP  32           HN       ASP  32 -14.695 -16.051 -16.051
  216    HA   ASP  32           HA       ASP  32 -15.879 -18.538 -18.538
  217   1HB   ASP  32           HB2      ASP  32 -17.056 -16.514 -16.514
  218   2HB   ASP  32           HB1      ASP  32 -15.521 -15.832 -15.832
  219    H    GLY  33           HN       GLY  33 -13.075 -17.498 -17.498
  220   1HA   GLY  33           HA2      GLY  33 -10.856 -18.090 -18.090
  221   2HA   GLY  33           HA1      GLY  33 -11.503 -19.017 -19.017
  222    H    VAL  34           HN       VAL  34 -12.288 -15.699 -15.699
  223    HA   VAL  34           HA       VAL  34 -10.537 -14.696 -14.696
  224    HB   VAL  34           HB       VAL  34 -13.399 -13.890 -13.890
  225   1HG1  VAL  34          HG11      VAL  34 -11.065 -13.642 -13.642
  226   2HG1  VAL  34          HG13      VAL  34 -12.016 -14.839 -14.839
  227   3HG1  VAL  34          HG12      VAL  34 -12.698 -13.248 -13.248
  228   1HG2  VAL  34          HG22      VAL  34 -12.403 -16.664 -16.664
  229   2HG2  VAL  34          HG21      VAL  34 -13.784 -16.238 -16.238
  230   3HG2  VAL  34          HG23      VAL  34 -13.841 -15.949 -15.949
  231    H    HIS  35           HN       HIS  35 -10.706 -12.253 -12.253
  232    HA   HIS  35           HA       HIS  35 -10.960 -11.230 -11.230
  233   1HB   HIS  35           HB2      HIS  35 -10.385  -9.532  -9.532
  234   2HB   HIS  35           HB1      HIS  35  -9.842  -9.291  -9.291
  235    HD1  HIS  35           HD1      HIS  35  -7.508 -10.084 -10.084
  236    HD2  HIS  35           HD2      HIS  35  -9.116 -12.000 -12.000
  237    HE1  HIS  35           HE1      HIS  35  -5.673 -11.552 -11.552
  238    H    ARG  36           HN       ARG  36 -13.317 -12.070 -12.070
  239    HA   ARG  36           HA       ARG  36 -15.564 -11.492 -11.492
  240   1HB   ARG  36           HB2      ARG  36 -14.641  -9.455  -9.455
  241   2HB   ARG  36           HB1      ARG  36 -14.732  -8.602  -8.602
  242   1HG   ARG  36           HG2      ARG  36 -17.156  -9.592  -9.592
  243   2HG   ARG  36           HG1      ARG  36 -16.956  -9.762  -9.762
  244   1HD   ARG  36           HD2      ARG  36 -16.577  -7.406  -7.406
  245   2HD   ARG  36           HD1      ARG  36 -16.447  -7.164  -7.164
  246    HE   ARG  36           HE       ARG  36 -19.023  -8.175  -8.175
  247   1HH1  ARG  36          HH11      ARG  36 -19.693  -7.452  -7.452
  248   2HH1  ARG  36          HH12      ARG  36 -19.911  -5.734  -5.734
  249   1HH2  ARG  36          HH21      ARG  36 -18.188  -5.192  -5.192
  250   2HH2  ARG  36          HH22      ARG  36 -19.059  -4.455  -4.455
  251    H    THR  37           HN       THR  37 -14.877 -12.463 -12.463
  252    HA   THR  37           HA       THR  37 -15.113 -12.356 -12.356
  253    HB   THR  37           HB       THR  37 -17.199 -10.325 -10.325
  254    HG1  THR  37           HG1      THR  37 -17.550 -12.370 -12.370
  255   1HG2  THR  37          HG23      THR  37 -16.747 -11.781 -11.781
  256   2HG2  THR  37          HG22      THR  37 -18.241 -10.937 -10.937
  257   3HG2  THR  37          HG21      THR  37 -16.732 -10.037 -10.037
  258    H    ASP  38           HN       ASP  38 -13.050 -11.394 -11.394
  259    HA   ASP  38           HA       ASP  38 -12.099  -8.856  -8.856
  260   1HB   ASP  38           HB2      ASP  38 -11.378 -10.946 -10.946
  261   2HB   ASP  38           HB1      ASP  38 -11.829  -9.726  -9.726
  262    H    GLY  39           HN       GLY  39 -12.214  -6.853  -6.853
  263   1HA   GLY  39           HA2      GLY  39 -13.245  -5.287  -5.287
  264   2HA   GLY  39           HA1      GLY  39 -14.393  -6.537  -6.537
  265    H    GLY  40           HN       GLY  40 -15.232  -7.279  -7.279
  266   1HA   GLY  40           HA2      GLY  40 -16.740  -4.793  -4.793
  267   2HA   GLY  40           HA1      GLY  40 -17.392  -6.421  -6.421
  268    H    ASP  41           HN       ASP  41 -14.195  -5.142  -5.142
  269    HA   ASP  41           HA       ASP  41 -14.702  -6.237  -6.237
  270   1HB   ASP  41           HB2      ASP  41 -12.117  -4.984  -4.984
  271   2HB   ASP  41           HB1      ASP  41 -12.351  -6.197  -6.197
  272    H    GLY  42           HN       GLY  42 -15.641  -4.792  -4.792
  273   1HA   GLY  42           HA2      GLY  42 -15.564  -1.935  -1.935
  274   2HA   GLY  42           HA1      GLY  42 -16.138  -2.740  -2.740
  275    H    PHE  43           HN       PHE  43 -13.031  -2.324  -2.324
  276    HA   PHE  43           HA       PHE  43 -11.661  -2.166  -2.166
  277   1HB   PHE  43           HB2      PHE  43 -11.020  -3.268  -3.268
  278   2HB   PHE  43           HB1      PHE  43  -9.909  -1.925  -1.925
  279    HD1  PHE  43           HD1      PHE  43  -9.811  -2.034  -2.034
  280    HD2  PHE  43           HD2      PHE  43  -9.547  -5.101  -5.101
  281    HE1  PHE  43           HE1      PHE  43  -8.466  -3.440  -3.440
  282    HE2  PHE  43           HE2      PHE  43  -8.194  -6.493  -6.493
  283    HZ   PHE  43           HZ       PHE  43  -7.658  -5.666  -5.666
  284    H    VAL  44           HN       VAL  44 -11.661  -0.109  -0.109
  285    HA   VAL  44           HA       VAL  44 -10.908   2.078   2.078
  286    HB   VAL  44           HB       VAL  44 -12.820   3.096   3.096
  287   1HG1  VAL  44          HG13      VAL  44 -12.875   0.894   0.894
  288   2HG1  VAL  44          HG12      VAL  44 -13.882   2.302   2.302
  289   3HG1  VAL  44          HG11      VAL  44 -14.089   1.377   1.377
  290   1HG2  VAL  44          HG23      VAL  44 -11.117   4.322   4.322
  291   2HG2  VAL  44          HG22      VAL  44 -12.727   4.351   4.351
  292   3HG2  VAL  44          HG21      VAL  44 -11.496   3.263   3.263
  293    H    VAL  45           HN       VAL  45  -8.824   2.593   2.593
  294    HA   VAL  45           HA       VAL  45  -7.776   2.490   2.490
  295    HB   VAL  45           HB       VAL  45  -6.039   2.255   2.255
  296   1HG1  VAL  45          HG11      VAL  45  -5.822   1.332   1.332
  297   2HG1  VAL  45          HG13      VAL  45  -4.621   0.994   0.994
  298   3HG1  VAL  45          HG12      VAL  45  -4.929   2.657   2.657
  299   1HG2  VAL  45          HG21      VAL  45  -8.079   0.418   0.418
  300   2HG2  VAL  45          HG23      VAL  45  -6.762   0.186   0.186
  301   3HG2  VAL  45          HG22      VAL  45  -6.566  -0.300  -0.300
  302    H    THR  46           HN       THR  46  -6.312   4.183   4.183
  303    HA   THR  46           HA       THR  46  -5.785   6.316   6.316
  304    HB   THR  46           HB       THR  46  -7.013   7.829   7.829
  305    HG1  THR  46           HG1      THR  46  -8.638   6.741   6.741
  306   1HG2  THR  46          HG23      THR  46  -8.134   6.864   6.864
  307   2HG2  THR  46          HG22      THR  46  -8.683   8.287   8.287
  308   3HG2  THR  46          HG21      THR  46  -7.051   8.238   8.238
  309    H    ILE  47           HN       ILE  47  -3.953   7.297   7.297
  310    HA   ILE  47           HA       ILE  47  -3.036   7.167   7.167
  311    HB   ILE  47           HB       ILE  47  -1.548   6.629   6.629
  312   1HG1  ILE  47          HG12      ILE  47  -2.084   5.280   5.280
  313   2HG1  ILE  47          HG11      ILE  47  -1.747   4.583   4.583
  314   1HG2  ILE  47          HG22      ILE  47  -0.312   7.729   7.729
  315   2HG2  ILE  47          HG21      ILE  47   0.596   7.064   7.064
  316   3HG2  ILE  47          HG23      ILE  47  -0.348   8.532   8.532
  317   1HD1  ILE  47          HD12      ILE  47   0.661   5.346   5.346
  318   2HD1  ILE  47          HD11      ILE  47   0.251   5.687   5.687
  319   3HD1  ILE  47          HD13      ILE  47   0.148   4.037   4.037
  320    H    GLU  48           HN       GLU  48  -1.679   8.965   8.965
  321    HA   GLU  48           HA       GLU  48  -1.160  11.096  11.096
  322   1HB   GLU  48           HB2      GLU  48  -2.750  12.708  12.708
  323   2HB   GLU  48           HB1      GLU  48  -3.311  11.915  11.915
  324   1HG   GLU  48           HG2      GLU  48  -4.469  10.247  10.247
  325   2HG   GLU  48           HG1      GLU  48  -3.553  10.539  10.539
  326    H    GLY  49           HN       GLY  49   0.016  12.802  12.802
  327   1HA   GLY  49           HA2      GLY  49   0.572  12.810  12.810
  328   2HA   GLY  49           HA1      GLY  49   1.931  12.332  12.332
  329    HA   PRO  50           HA       PRO  50   1.813  16.961  16.961
  330   1HB   PRO  50           HB2      PRO  50   4.372  17.256  17.256
  331   2HB   PRO  50           HB1      PRO  50   2.943  17.106  17.106
  332   1HG   PRO  50           HG2      PRO  50   5.051  15.085  15.085
  333   2HG   PRO  50           HG1      PRO  50   4.028  15.247  15.247
  334   1HD   PRO  50           HD2      PRO  50   3.644  13.387  13.387
  335   2HD   PRO  50           HD1      PRO  50   2.452  13.810  13.810
  336    H    ALA  51           HN       ALA  51   1.884  16.152  16.152
  337    HA   ALA  51           HA       ALA  51   4.341  17.219  17.219
  338   1HB   ALA  51           HB2      ALA  51   4.077  14.431  14.431
  339   2HB   ALA  51           HB1      ALA  51   3.739  14.727  14.727
  340   3HB   ALA  51           HB3      ALA  51   5.265  15.264  15.264
  341    HA   PRO  52           HA       PRO  52   1.609  18.266  18.266
  342   1HB   PRO  52           HB2      PRO  52   3.026  17.654  17.654
  343   2HB   PRO  52           HB1      PRO  52   3.405  19.028  19.028
  344   1HG   PRO  52           HG2      PRO  52   4.835  16.425  16.425
  345   2HG   PRO  52           HG1      PRO  52   5.464  18.001  18.001
  346   1HD   PRO  52           HD2      PRO  52   4.824  15.850  15.850
  347   2HD   PRO  52           HD1      PRO  52   5.126  17.528  17.528
  348    H    VAL  53           HN       VAL  53   3.118  15.132  15.132
  349    HA   VAL  53           HA       VAL  53   0.563  14.276  14.276
  350    HB   VAL  53           HB       VAL  53   2.932  12.464  12.464
  351   1HG1  VAL  53          HG12      VAL  53   0.862  11.822  11.822
  352   2HG1  VAL  53          HG11      VAL  53   1.012  13.248  13.248
  353   3HG1  VAL  53          HG13      VAL  53   2.218  11.965  11.965
  354   1HG2  VAL  53          HG21      VAL  53   2.951  15.180  15.180
  355   2HG2  VAL  53          HG23      VAL  53   4.302  14.154  14.154
  356   3HG2  VAL  53          HG22      VAL  53   3.511  13.899  13.899
  357    H    ASP  54           HN       ASP  54  -0.462  14.233  14.233
  358    HA   ASP  54           HA       ASP  54   0.519  12.056  12.056
  359   1HB   ASP  54           HB2      ASP  54  -1.713  14.069  14.069
  360   2HB   ASP  54           HB1      ASP  54  -1.280  12.849  12.849
  361    HA   PRO  55           HA       PRO  55  -3.788  10.327  10.327
  362   1HB   PRO  55           HB2      PRO  55  -5.164  11.544  11.544
  363   2HB   PRO  55           HB1      PRO  55  -5.310  12.030  12.030
  364   1HG   PRO  55           HG2      PRO  55  -3.907  13.416  13.416
  365   2HG   PRO  55           HG1      PRO  55  -4.573  14.090  14.090
  366   1HD   PRO  55           HD2      PRO  55  -1.833  13.521  13.521
  367   2HD   PRO  55           HD1      PRO  55  -2.539  13.976  13.976
  368    H    VAL  56           HN       VAL  56  -2.589   8.553   8.553
  369    HA   VAL  56           HA       VAL  56  -2.612   8.588   8.588
  370    HB   VAL  56           HB       VAL  56  -0.353   7.463   7.463
  371   1HG1  VAL  56          HG12      VAL  56  -1.141   7.441   7.441
  372   2HG1  VAL  56          HG11      VAL  56   0.368   8.341   8.341
  373   3HG1  VAL  56          HG13      VAL  56   0.267   6.683   6.683
  374   1HG2  VAL  56          HG21      VAL  56  -0.730  10.239  10.239
  375   2HG2  VAL  56          HG23      VAL  56  -0.270   9.805   9.805
  376   3HG2  VAL  56          HG22      VAL  56   0.871   9.572   9.572
  377    H    MET  57           HN       MET  57  -4.343   7.037   7.037
  378    HA   MET  57           HA       MET  57  -3.420   4.335   4.335
  379   1HB   MET  57           HB2      MET  57  -5.384   3.749   3.749
  380   2HB   MET  57           HB1      MET  57  -4.892   5.308   5.308
  381   1HG   MET  57           HG2      MET  57  -6.890   5.045   5.045
  382   2HG   MET  57           HG1      MET  57  -7.371   5.072   5.072
  383   1HE   MET  57           HE2      MET  57  -8.826   6.617   6.617
  384   2HE   MET  57           HE1      MET  57  -8.630   8.260   8.260
  385   3HE   MET  57           HE3      MET  57  -8.361   7.904   7.904
  386    H    VAL  58           HN       VAL  58  -3.936   2.785   2.785
  387    HA   VAL  58           HA       VAL  58  -5.917   3.495   3.495
  388    HB   VAL  58           HB       VAL  58  -3.603   1.872   1.872
  389   1HG1  VAL  58          HG11      VAL  58  -5.661   3.551   3.551
  390   2HG1  VAL  58          HG13      VAL  58  -4.086   4.144   4.144
  391   3HG1  VAL  58          HG12      VAL  58  -4.550   2.472   2.472
  392   1HG2  VAL  58          HG21      VAL  58  -2.591   3.659   3.659
  393   2HG2  VAL  58          HG23      VAL  58  -2.062   3.723   3.723
  394   3HG2  VAL  58          HG22      VAL  58  -3.274   4.862   4.862
  395    H    ASP  59           HN       ASP  59  -6.813   1.629   1.629
  396    HA   ASP  59           HA       ASP  59  -6.733  -0.859  -0.859
  397   1HB   ASP  59           HB2      ASP  59  -8.955  -0.076  -0.076
  398   2HB   ASP  59           HB1      ASP  59  -8.903   0.474   0.474
  399    H    ASN  60           HN       ASN  60  -5.933  -2.677  -2.677
  400    HA   ASN  60           HA       ASN  60  -5.174  -2.437  -2.437
  401   1HB   ASN  60           HB2      ASN  60  -4.315  -4.038  -4.038
  402   2HB   ASN  60           HB1      ASN  60  -4.433  -4.974  -4.974
  403   1HD2  ASN  60          HD22      ASN  60  -2.023  -1.662  -1.662
  404   2HD2  ASN  60          HD21      ASN  60  -3.562  -1.508  -1.508
  405    H    GLY  61           HN       GLY  61  -7.898  -3.503  -3.503
  406   1HA   GLY  61           HA2      GLY  61  -9.756  -4.696  -4.696
  407   2HA   GLY  61           HA1      GLY  61  -9.045  -4.599  -4.599
  408    H    ASP  62           HN       ASP  62  -6.863  -5.964  -5.964
  409    HA   ASP  62           HA       ASP  62  -7.574  -8.685  -8.685
  410   1HB   ASP  62           HB2      ASP  62  -5.225  -9.266  -9.266
  411   2HB   ASP  62           HB1      ASP  62  -5.334  -7.798  -7.798
  412    H    GLY  63           HN       GLY  63  -8.732  -7.339  -7.339
  413   1HA   GLY  63           HA2      GLY  63  -9.436  -8.130  -8.130
  414   2HA   GLY  63           HA1      GLY  63  -8.414  -9.542  -9.542
  415    H    THR  64           HN       THR  64  -6.567  -6.836  -6.836
  416    HA   THR  64           HA       THR  64  -5.749  -6.581  -6.581
  417    HB   THR  64           HB       THR  64  -3.352  -6.495  -6.495
  418    HG1  THR  64           HG1      THR  64  -3.368  -8.022  -8.022
  419   1HG2  THR  64          HG21      THR  64  -4.967  -9.053  -9.053
  420   2HG2  THR  64          HG23      THR  64  -3.205  -9.015  -9.015
  421   3HG2  THR  64          HG22      THR  64  -4.061  -8.345  -8.345
  422    H    TYR  65           HN       TYR  65  -4.764  -4.541  -4.541
  423    HA   TYR  65           HA       TYR  65  -5.078  -2.505  -2.505
  424   1HB   TYR  65           HB2      TYR  65  -5.719  -2.298  -2.298
  425   2HB   TYR  65           HB1      TYR  65  -5.697  -0.915  -0.915
  426    HD1  TYR  65           HD1      TYR  65  -7.019  -4.435  -4.435
  427    HD2  TYR  65           HD2      TYR  65  -7.726  -0.319  -0.319
  428    HE1  TYR  65           HE1      TYR  65  -9.241  -5.028  -5.028
  429    HE2  TYR  65           HE2      TYR  65  -9.960  -0.908  -0.908
  430    HH   TYR  65           HH       TYR  65 -11.615  -2.637  -2.637
  431    H    ASP  66           HN       ASP  66  -3.612  -0.676  -0.676
  432    HA   ASP  66           HA       ASP  66  -1.209  -1.157  -1.157
  433   1HB   ASP  66           HB2      ASP  66  -0.940  -0.086  -0.086
  434   2HB   ASP  66           HB1      ASP  66   0.264  -0.902  -0.902
  435    H    VAL  67           HN       VAL  67  -0.763   0.631   0.631
  436    HA   VAL  67           HA       VAL  67  -1.757   3.232   3.232
  437    HB   VAL  67           HB       VAL  67  -2.252   3.904   3.904
  438   1HG1  VAL  67          HG11      VAL  67  -2.870   0.994   0.994
  439   2HG1  VAL  67          HG13      VAL  67  -3.364   1.774   1.774
  440   3HG1  VAL  67          HG12      VAL  67  -3.967   2.374   2.374
  441   1HG2  VAL  67          HG23      VAL  67  -0.464   1.643   1.643
  442   2HG2  VAL  67          HG22      VAL  67  -0.263   3.365   3.365
  443   3HG2  VAL  67          HG21      VAL  67  -1.542   2.456   2.456
  444    H    GLU  68           HN       GLU  68  -0.239   5.070   5.070
  445    HA   GLU  68           HA       GLU  68   2.463   4.393   4.393
  446   1HB   GLU  68           HB2      GLU  68   2.935   5.689   5.689
  447   2HB   GLU  68           HB1      GLU  68   3.371   4.048   4.048
  448   1HG   GLU  68           HG2      GLU  68   0.556   4.631   4.631
  449   2HG   GLU  68           HG1      GLU  68   1.826   4.500   4.500
  450    H    PHE  69           HN       PHE  69   3.166   6.130   6.130
  451    HA   PHE  69           HA       PHE  69   2.674   8.826   8.826
  452   1HB   PHE  69           HB2      PHE  69   2.123   9.834   9.834
  453   2HB   PHE  69           HB1      PHE  69   1.043   8.459   8.459
  454    HD1  PHE  69           HD2      PHE  69   2.180   6.151   6.151
  455    HD2  PHE  69           HD1      PHE  69   3.112  10.120  10.120
  456    HE1  PHE  69           HE2      PHE  69   3.030   5.243   5.243
  457    HE2  PHE  69           HE1      PHE  69   3.955   9.207   9.207
  458    HZ   PHE  69           HZ       PHE  69   3.894   6.748   6.748
  459    H    GLU  70           HN       GLU  70   4.406  10.381  10.381
  460    HA   GLU  70           HA       GLU  70   6.733   9.138   9.138
  461   1HB   GLU  70           HB2      GLU  70   8.221   9.464   9.464
  462   2HB   GLU  70           HB1      GLU  70   6.832   8.542   8.542
  463   1HG   GLU  70           HG2      GLU  70   5.908  11.017  11.017
  464   2HG   GLU  70           HG1      GLU  70   7.636  11.341  11.341
  465    HA   PRO  71           HA       PRO  71   6.561  13.538  13.538
  466   1HB   PRO  71           HB2      PRO  71   7.648  13.109  13.109
  467   2HB   PRO  71           HB1      PRO  71   5.926  12.917  12.917
  468   1HG   PRO  71           HG2      PRO  71   7.992  10.812  10.812
  469   2HG   PRO  71           HG1      PRO  71   6.243  10.736  10.736
  470   1HD   PRO  71           HD2      PRO  71   7.659   9.654   9.654
  471   2HD   PRO  71           HD1      PRO  71   5.899   9.861   9.861
  472    H    LYS  72           HN       LYS  72   8.395  15.026  15.026
  473    HA   LYS  72           HA       LYS  72  11.080  13.983  13.983
  474   1HB   LYS  72           HB2      LYS  72  10.127  16.789  16.789
  475   2HB   LYS  72           HB1      LYS  72  11.565  15.997  15.997
  476   1HG   LYS  72           HG2      LYS  72   9.660  14.267  14.267
  477   2HG   LYS  72           HG1      LYS  72   8.736  15.770  15.770
  478   1HD   LYS  72           HD2      LYS  72  10.968  16.677  16.677
  479   2HD   LYS  72           HD1      LYS  72  11.103  14.982  14.982
  480   1HE   LYS  72           HE2      LYS  72   9.559  15.297  15.297
  481   2HE   LYS  72           HE1      LYS  72   8.388  15.790  15.790
  482   1HZ   LYS  72           HZ2      LYS  72  10.446  17.635  17.635
  483   2HZ   LYS  72           HZ1      LYS  72   8.920  17.467  17.467
  484   3HZ   LYS  72           HZ3      LYS  72   9.039  18.020  18.020
  485    H    GLU  73           HN       GLU  73   9.697  14.722  14.722
  486    HA   GLU  73           HA       GLU  73  12.141  15.991  15.991
  487   1HB   GLU  73           HB2      GLU  73  10.872  17.815  17.815
  488   2HB   GLU  73           HB1      GLU  73  10.753  17.915  17.915
  489   1HG   GLU  73           HG2      GLU  73   8.543  17.132  17.132
  490   2HG   GLU  73           HG1      GLU  73   8.675  16.400  16.400
  491    H    ALA  74           HN       ALA  74  10.289  16.658  16.658
  492    HA   ALA  74           HA       ALA  74  10.399  13.913  13.913
  493   1HB   ALA  74           HB2      ALA  74  11.313  16.286  16.286
  494   2HB   ALA  74           HB1      ALA  74   9.713  16.176  16.176
  495   3HB   ALA  74           HB3      ALA  74  10.886  14.881  14.881
  496    H    GLY  75           HN       GLY  75   8.482  12.826  12.826
  497   1HA   GLY  75           HA2      GLY  75   6.020  14.326  14.326
  498   2HA   GLY  75           HA1      GLY  75   6.115  13.657  13.657
  499    H    ASP  76           HN       ASP  76   4.156  12.938  12.938
  500    HA   ASP  76           HA       ASP  76   4.892  10.103  10.103
  501   1HB   ASP  76           HB2      ASP  76   2.974  10.186  10.186
  502   2HB   ASP  76           HB1      ASP  76   4.303  11.262  11.262
  503    H    TYR  77           HN       TYR  77   3.193   8.560   8.560
  504    HA   TYR  77           HA       TYR  77   1.492   9.564   9.564
  505   1HB   TYR  77           HB2      TYR  77   2.236   6.686   6.686
  506   2HB   TYR  77           HB1      TYR  77   1.668   7.461   7.461
  507    HD1  TYR  77           HD1      TYR  77   3.410   9.962   9.962
  508    HD2  TYR  77           HD2      TYR  77   4.244   5.768   5.768
  509    HE1  TYR  77           HE1      TYR  77   5.722  10.367  10.367
  510    HE2  TYR  77           HE2      TYR  77   6.554   6.160   6.160
  511    HH   TYR  77           HH       TYR  77   7.763   7.914   7.914
  512    H    VAL  78           HN       VAL  78  -0.613   9.150   9.150
  513    HA   VAL  78           HA       VAL  78  -1.706   7.496   7.496
  514    HB   VAL  78           HB       VAL  78  -2.533   9.649   9.649
  515   1HG1  VAL  78          HG11      VAL  78  -2.302   9.908   9.908
  516   2HG1  VAL  78          HG13      VAL  78  -3.682  10.750  10.750
  517   3HG1  VAL  78          HG12      VAL  78  -2.049  11.118  11.118
  518   1HG2  VAL  78          HG21      VAL  78  -4.257   7.665   7.665
  519   2HG2  VAL  78          HG23      VAL  78  -4.748   9.173   9.173
  520   3HG2  VAL  78          HG22      VAL  78  -4.795   9.027   9.027
  521    H    ILE  79           HN       ILE  79  -2.774   5.742   5.742
  522    HA   ILE  79           HA       ILE  79  -3.209   5.530   5.530
  523    HB   ILE  79           HB       ILE  79  -3.432   3.001   3.001
  524   1HG1  ILE  79          HG12      ILE  79  -0.838   4.533   4.533
  525   2HG1  ILE  79          HG11      ILE  79  -1.964   4.083   4.083
  526   1HG2  ILE  79          HG23      ILE  79  -2.929   3.410   3.410
  527   2HG2  ILE  79          HG22      ILE  79  -1.360   4.063   4.063
  528   3HG2  ILE  79          HG21      ILE  79  -1.739   2.369   2.369
  529   1HD1  ILE  79          HD11      ILE  79  -1.156   1.845   1.845
  530   2HD1  ILE  79          HD13      ILE  79   0.161   2.549   2.549
  531   3HD1  ILE  79          HD12      ILE  79  -1.266   1.922   1.922
  532    H    ASN  80           HN       ASN  80  -4.900   4.325   4.325
  533    HA   ASN  80           HA       ASN  80  -7.268   3.869   3.869
  534   1HB   ASN  80           HB2      ASN  80  -7.586   5.521   5.521
  535   2HB   ASN  80           HB1      ASN  80  -8.690   5.335   5.335
  536   1HD2  ASN  80          HD22      ASN  80  -7.323   8.013   8.013
  537   2HD2  ASN  80          HD21      ASN  80  -8.536   6.832   6.832
  538    H    LEU  81           HN       LEU  81  -7.716   1.833   1.833
  539    HA   LEU  81           HA       LEU  81  -7.776   1.125   1.125
  540   1HB   LEU  81           HB2      LEU  81  -5.648   0.251   0.251
  541   2HB   LEU  81           HB1      LEU  81  -6.434  -0.437  -0.437
  542    HG   LEU  81           HG       LEU  81  -5.843  -1.923  -1.923
  543   1HD1  LEU  81          HD12      LEU  81  -6.922  -2.574  -2.574
  544   2HD1  LEU  81          HD11      LEU  81  -8.485  -2.181  -2.181
  545   3HD1  LEU  81          HD13      LEU  81  -7.509  -3.484  -3.484
  546   1HD2  LEU  81          HD21      LEU  81  -7.606  -0.245  -0.245
  547   2HD2  LEU  81          HD23      LEU  81  -7.325  -1.904  -1.904
  548   3HD2  LEU  81          HD22      LEU  81  -8.695  -1.524  -1.524
  549    H    THR  82           HN       THR  82  -9.788   0.346   0.346
  550    HA   THR  82           HA       THR  82 -11.199  -1.044  -1.044
  551    HB   THR  82           HB       THR  82 -13.267   0.240   0.240
  552    HG1  THR  82           HG1      THR  82 -11.440   1.102   1.102
  553   1HG2  THR  82          HG23      THR  82 -11.230   0.872   0.872
  554   2HG2  THR  82          HG22      THR  82 -11.829   2.367   2.367
  555   3HG2  THR  82          HG21      THR  82 -12.951   1.253   1.253
  556    H    LEU  83           HN       LEU  83 -12.374  -2.806  -2.806
  557    HA   LEU  83           HA       LEU  83 -13.143  -3.208  -3.208
  558   1HB   LEU  83           HB2      LEU  83 -10.945  -4.392  -4.392
  559   2HB   LEU  83           HB1      LEU  83 -11.807  -5.415  -5.415
  560    HG   LEU  83           HG       LEU  83 -11.521  -6.279  -6.279
  561   1HD1  LEU  83          HD11      LEU  83 -13.115  -7.118  -7.118
  562   2HD1  LEU  83          HD13      LEU  83 -14.370  -6.213  -6.213
  563   3HD1  LEU  83          HD12      LEU  83 -13.526  -7.524  -7.524
  564   1HD2  LEU  83          HD21      LEU  83 -12.439  -3.955  -3.955
  565   2HD2  LEU  83          HD23      LEU  83 -12.946  -5.424  -5.424
  566   3HD2  LEU  83          HD22      LEU  83 -14.019  -4.663  -4.663
  567    H    ASP  84           HN       ASP  84 -15.224  -2.636  -2.636
  568    HA   ASP  84           HA       ASP  84 -17.220  -4.310  -4.310
  569   1HB   ASP  84           HB2      ASP  84 -15.543  -4.976  -4.976
  570   2HB   ASP  84           HB1      ASP  84 -17.299  -5.110  -5.110
  571    H    GLY  85           HN       GLY  85 -15.544  -1.835  -1.835
  572   1HA   GLY  85           HA2      GLY  85 -17.018   0.251   0.251
  573   2HA   GLY  85           HA1      GLY  85 -18.108  -0.802  -0.802
  574    H    ASP  86           HN       ASP  86 -14.964  -1.810  -1.810
  575    HA   ASP  86           HA       ASP  86 -14.707   0.035   0.035
  576   1HB   ASP  86           HB2      ASP  86 -15.165  -2.835  -2.835
  577   2HB   ASP  86           HB1      ASP  86 -13.622  -2.451  -2.451
  578    H    ASN  87           HN       ASN  87 -12.297  -0.457  -0.457
  579    HA   ASN  87           HA       ASN  87 -10.570  -0.478  -0.478
  580   1HB   ASN  87           HB2      ASN  87 -10.217   0.901   0.901
  581   2HB   ASN  87           HB1      ASN  87  -8.949   0.814   0.814
  582   1HD2  ASN  87          HD22      ASN  87 -12.249   3.161   3.161
  583   2HD2  ASN  87          HD21      ASN  87 -12.348   1.923   1.923
  584    H    VAL  88           HN       VAL  88  -8.451  -1.521  -1.521
  585    HA   VAL  88           HA       VAL  88  -8.632  -4.018  -4.018
  586    HB   VAL  88           HB       VAL  88  -6.480  -2.630  -2.630
  587   1HG1  VAL  88          HG11      VAL  88  -5.328  -3.646  -3.646
  588   2HG1  VAL  88          HG13      VAL  88  -6.060  -5.197  -5.197
  589   3HG1  VAL  88          HG12      VAL  88  -4.908  -4.445  -4.445
  590   1HG2  VAL  88          HG22      VAL  88  -8.361  -4.052  -4.052
  591   2HG2  VAL  88          HG21      VAL  88  -6.728  -4.535  -4.535
  592   3HG2  VAL  88          HG23      VAL  88  -7.600  -5.437  -5.437
  593    H    ASN  89           HN       ASN  89  -6.789  -4.685  -4.685
  594    HA   ASN  89           HA       ASN  89  -6.968  -2.779  -2.779
  595   1HB   ASN  89           HB2      ASN  89  -6.098  -5.600  -5.600
  596   2HB   ASN  89           HB1      ASN  89  -5.406  -4.709  -4.709
  597   1HD2  ASN  89          HD22      ASN  89  -8.321  -5.227  -5.227
  598   2HD2  ASN  89          HD21      ASN  89  -6.627  -5.150  -5.150
  599    H    GLY  90           HN       GLY  90  -5.196  -2.121  -2.121
  600   1HA   GLY  90           HA2      GLY  90  -2.898  -1.256  -1.256
  601   2HA   GLY  90           HA1      GLY  90  -2.514  -2.250  -2.250
  602    H    PHE  91           HN       PHE  91  -5.255  -0.233  -0.233
  603    HA   PHE  91           HA       PHE  91  -3.623   1.560   1.560
  604   1HB   PHE  91           HB2      PHE  91  -6.219   0.237   0.237
  605   2HB   PHE  91           HB1      PHE  91  -6.144   1.905   1.905
  606    HD1  PHE  91           HD2      PHE  91  -4.708  -1.468  -1.468
  607    HD2  PHE  91           HD1      PHE  91  -4.646   2.542   2.542
  608    HE1  PHE  91           HE2      PHE  91  -3.331  -2.195  -2.195
  609    HE2  PHE  91           HE1      PHE  91  -3.267   1.839   1.839
  610    HZ   PHE  91           HZ       PHE  91  -2.612  -0.551  -0.551
  611    HA   PRO  92           HA       PRO  92  -6.498   4.590   4.590
  612   1HB   PRO  92           HB2      PRO  92  -7.554   3.798   3.798
  613   2HB   PRO  92           HB1      PRO  92  -8.424   3.679   3.679
  614   1HG   PRO  92           HG2      PRO  92  -7.150   1.519   1.519
  615   2HG   PRO  92           HG1      PRO  92  -8.497   1.420   1.420
  616   1HD   PRO  92           HD2      PRO  92  -5.827   0.664   0.664
  617   2HD   PRO  92           HD1      PRO  92  -7.092   0.879   0.879
  618    H    LYS  93           HN       LYS  93  -3.866   2.990   2.990
  619    HA   LYS  93           HA       LYS  93  -3.119   4.352   4.352
  620   1HB   LYS  93           HB2      LYS  93  -2.569   1.997   1.997
  621   2HB   LYS  93           HB1      LYS  93  -1.869   2.127   2.127
  622   1HG   LYS  93           HG2      LYS  93  -0.071   3.548   3.548
  623   2HG   LYS  93           HG1      LYS  93  -0.793   3.532   3.532
  624   1HD   LYS  93           HD2      LYS  93   1.123   1.887   1.887
  625   2HD   LYS  93           HD1      LYS  93  -0.372   1.190   1.190
  626   1HE   LYS  93           HE2      LYS  93  -0.784   0.019   0.019
  627   2HE   LYS  93           HE1      LYS  93  -0.162   1.302   1.302
  628   1HZ   LYS  93           HZ3      LYS  93   1.934   0.238   0.238
  629   2HZ   LYS  93           HZ2      LYS  93   1.127  -1.033  -1.033
  630   3HZ   LYS  93           HZ1      LYS  93   1.768   0.257   0.257
  631    H    THR  94           HN       THR  94  -0.879   5.290   5.290
  632    HA   THR  94           HA       THR  94  -0.418   6.601   6.601
  633    HB   THR  94           HB       THR  94   0.015   7.807   7.807
  634    HG1  THR  94           HG1      THR  94  -2.221   7.390   7.390
  635   1HG2  THR  94          HG22      THR  94   1.159   8.467   8.467
  636   2HG2  THR  94          HG21      THR  94  -0.265   9.506   9.506
  637   3HG2  THR  94          HG23      THR  94   0.907   9.591   9.591
  638    H    VAL  95           HN       VAL  95   1.558   6.353   6.353
  639    HA   VAL  95           HA       VAL  95   3.615   5.197   5.197
  640    HB   VAL  95           HB       VAL  95   3.264   5.149   5.149
  641   1HG1  VAL  95          HG11      VAL  95   5.850   4.956   4.956
  642   2HG1  VAL  95          HG13      VAL  95   5.604   4.026   4.026
  643   3HG1  VAL  95          HG12      VAL  95   5.526   5.785   5.785
  644   1HG2  VAL  95          HG22      VAL  95   3.005   3.349   3.349
  645   2HG2  VAL  95          HG21      VAL  95   2.790   3.005   3.005
  646   3HG2  VAL  95          HG23      VAL  95   4.374   2.806   2.806
  647    H    THR  96           HN       THR  96   5.827   6.176   6.176
  648    HA   THR  96           HA       THR  96   5.619   9.077   9.077
  649    HB   THR  96           HB       THR  96   7.274   7.929   7.929
  650    HG1  THR  96           HG1      THR  96   5.377   7.552   7.552
  651   1HG2  THR  96          HG22      THR  96   7.752  10.235  10.235
  652   2HG2  THR  96          HG21      THR  96   6.148  10.707  10.707
  653   3HG2  THR  96          HG23      THR  96   7.373  10.196  10.196
  654    H    VAL  97           HN       VAL  97   7.315  10.151  10.151
  655    HA   VAL  97           HA       VAL  97   9.828   8.670   8.670
  656    HB   VAL  97           HB       VAL  97   8.041  10.142  10.142
  657   1HG1  VAL  97          HG13      VAL  97  11.058  10.023  10.023
  658   2HG1  VAL  97          HG12      VAL  97  10.069  10.252  10.252
  659   3HG1  VAL  97          HG11      VAL  97  10.034  11.453  11.453
  660   1HG2  VAL  97          HG21      VAL  97   9.698   7.643   7.643
  661   2HG2  VAL  97          HG23      VAL  97   8.005   7.824   7.824
  662   3HG2  VAL  97          HG22      VAL  97   9.274   8.348   8.348
  663    H    LYS  98           HN       LYS  98  11.687   9.985   9.985
  664    HA   LYS  98           HA       LYS  98  11.299  12.466  12.466
  665   1HB   LYS  98           HB2      LYS  98  13.150  10.303  10.303
  666   2HB   LYS  98           HB1      LYS  98  14.054  11.766  11.766
  667   1HG   LYS  98           HG2      LYS  98  14.099  11.982  11.982
  668   2HG   LYS  98           HG1      LYS  98  12.504  12.690  12.690
  669   1HD   LYS  98           HD2      LYS  98  11.580  10.309  10.309
  670   2HD   LYS  98           HD1      LYS  98  13.171   9.864   9.864
  671   1HE   LYS  98           HE2      LYS  98  11.370  12.012  12.012
  672   2HE   LYS  98           HE1      LYS  98  11.635  10.410  10.410
  673   1HZ   LYS  98           HZ3      LYS  98  13.817  12.351  12.351
  674   2HZ   LYS  98           HZ2      LYS  98  13.024  12.213  12.213
  675   3HZ   LYS  98           HZ1      LYS  98  13.913  10.903  10.903
  676    HA   PRO  99           HA       PRO  99  12.674  15.288  15.288
  677   1HB   PRO  99           HB2      PRO  99  15.029  16.432  16.432
  678   2HB   PRO  99           HB1      PRO  99  13.417  16.852  16.852
  679   1HG   PRO  99           HG2      PRO  99  15.527  15.162  15.162
  680   2HG   PRO  99           HG1      PRO  99  14.282  16.168  16.168
  681   1HD   PRO  99           HD2      PRO  99  14.162  13.402  13.402
  682   2HD   PRO  99           HD1      PRO  99  12.750  14.441  14.441
  683    H    ALA 100           HN       ALA 100  12.996  13.650  13.650
  684    HA   ALA 100           HA       ALA 100  15.049  12.001  12.001
  685   1HB   ALA 100           HB3      ALA 100  12.905  12.755  12.755
  686   2HB   ALA 100           HB2      ALA 100  14.038  13.809  13.809
  687   3HB   ALA 100           HB1      ALA 100  14.274  12.061  12.061

  Start of MODEL   12
    1   1H    ALA   1           HT1      ALA   1 -18.508 -11.566 -11.566
    2   2H    ALA   1           HT3      ALA   1 -19.685 -11.265 -11.265
    3   3H    ALA   1           HT2      ALA   1 -18.682 -12.630 -12.630
    4    HA   ALA   1           HA       ALA   1 -17.746 -11.156 -11.156
    5   1HB   ALA   1           HB2      ALA   1 -19.174  -9.234  -9.234
    6   2HB   ALA   1           HB1      ALA   1 -17.788  -8.936  -8.936
    7   3HB   ALA   1           HB3      ALA   1 -17.611  -8.821  -8.821
    8    H    ASP   2           HN       ASP   2 -15.784  -9.245  -9.245
    9    HA   ASP   2           HA       ASP   2 -13.938 -11.175 -11.175
   10   1HB   ASP   2           HB2      ASP   2 -13.225 -10.747 -10.747
   11   2HB   ASP   2           HB1      ASP   2 -13.365  -9.009  -9.009
   12    HA   PRO   3           HA       PRO   3 -14.238  -7.178  -7.178
   13   1HB   PRO   3           HB2      PRO   3 -15.843  -8.065  -8.065
   14   2HB   PRO   3           HB1      PRO   3 -16.476  -7.233  -7.233
   15   1HG   PRO   3           HG2      PRO   3 -16.570 -10.145 -10.145
   16   2HG   PRO   3           HG1      PRO   3 -17.711  -9.175  -9.175
   17   1HD   PRO   3           HD2      PRO   3 -15.790 -10.906 -10.906
   18   2HD   PRO   3           HD1      PRO   3 -16.611  -9.590  -9.590
   19    H    GLU   4           HN       GLU   4 -13.292 -10.363 -10.363
   20    HA   GLU   4           HA       GLU   4 -11.666  -9.921  -9.921
   21   1HB   GLU   4           HB2      GLU   4 -13.869 -11.637 -11.637
   22   2HB   GLU   4           HB1      GLU   4 -12.444 -12.673 -12.673
   23   1HG   GLU   4           HG2      GLU   4 -12.809 -10.554 -10.554
   24   2HG   GLU   4           HG1      GLU   4 -13.326 -12.227 -12.227
   25    H    LYS   5           HN       LYS   5 -11.333 -10.227 -10.227
   26    HA   LYS   5           HA       LYS   5  -8.877 -11.862 -11.862
   27   1HB   LYS   5           HB2      LYS   5 -11.218 -12.898 -12.898
   28   2HB   LYS   5           HB1      LYS   5 -10.201 -12.430 -12.430
   29   1HG   LYS   5           HG2      LYS   5  -8.704 -14.081 -14.081
   30   2HG   LYS   5           HG1      LYS   5  -8.707 -13.765 -13.765
   31   1HD   LYS   5           HD2      LYS   5 -11.227 -14.921 -14.921
   32   2HD   LYS   5           HD1      LYS   5  -9.838 -15.976 -15.976
   33   1HE   LYS   5           HE2      LYS   5  -9.707 -14.748 -14.748
   34   2HE   LYS   5           HE1      LYS   5 -11.227 -15.616 -15.616
   35   1HZ   LYS   5           HZ1      LYS   5  -9.940 -17.544 -17.544
   36   2HZ   LYS   5           HZ3      LYS   5  -8.500 -16.705 -16.705
   37   3HZ   LYS   5           HZ2      LYS   5  -9.549 -17.099 -17.099
   38    H    SER   6           HN       SER   6  -9.459  -9.029  -9.029
   39    HA   SER   6           HA       SER   6  -8.314  -8.536  -8.536
   40   1HB   SER   6           HB2      SER   6  -9.632  -6.414  -6.414
   41   2HB   SER   6           HB1      SER   6  -9.392  -6.450  -6.450
   42    HG   SER   6           HG       SER   6 -11.069  -8.191  -8.191
   43    H    TYR   7           HN       TYR   7  -6.151  -8.166  -8.166
   44    HA   TYR   7           HA       TYR   7  -5.252  -6.445  -6.445
   45   1HB   TYR   7           HB2      TYR   7  -3.110  -7.916  -7.916
   46   2HB   TYR   7           HB1      TYR   7  -4.541  -8.561  -8.561
   47    HD1  TYR   7           HD1      TYR   7  -6.081 -10.118 -10.118
   48    HD2  TYR   7           HD2      TYR   7  -2.215  -8.962  -8.962
   49    HE1  TYR   7           HE1      TYR   7  -6.114 -12.029 -12.029
   50    HE2  TYR   7           HE2      TYR   7  -2.249 -10.872 -10.872
   51    HH   TYR   7           HH       TYR   7  -4.991 -13.153 -13.153
   52    H    ALA   8           HN       ALA   8  -3.549  -5.025  -5.025
   53    HA   ALA   8           HA       ALA   8  -2.598  -4.917  -4.917
   54   1HB   ALA   8           HB1      ALA   8  -4.002  -2.919  -2.919
   55   2HB   ALA   8           HB3      ALA   8  -2.361  -2.353  -2.353
   56   3HB   ALA   8           HB2      ALA   8  -3.398  -2.818  -2.818
   57    H    GLU   9           HN       GLU   9  -0.397  -5.158  -5.158
   58    HA   GLU   9           HA       GLU   9   1.241  -4.059  -4.059
   59   1HB   GLU   9           HB2      GLU   9   2.539  -6.163  -6.163
   60   2HB   GLU   9           HB1      GLU   9   0.849  -6.411  -6.411
   61   1HG   GLU   9           HG2      GLU   9   0.379  -7.269  -7.269
   62   2HG   GLU   9           HG1      GLU   9   2.069  -7.025  -7.025
   63    H    GLY  10           HN       GLY  10   3.259  -3.383  -3.383
   64   1HA   GLY  10           HA2      GLY  10   4.376  -4.182  -4.182
   65   2HA   GLY  10           HA1      GLY  10   3.738  -2.542  -2.542
   66    HA   PRO  11           HA       PRO  11   8.028  -2.476  -2.476
   67   1HB   PRO  11           HB2      PRO  11   9.355  -1.517  -1.517
   68   2HB   PRO  11           HB1      PRO  11   9.208  -3.245  -3.245
   69   1HG   PRO  11           HG2      PRO  11   7.792  -1.645  -1.645
   70   2HG   PRO  11           HG1      PRO  11   8.158  -3.378  -3.378
   71   1HD   PRO  11           HD2      PRO  11   5.650  -2.196  -2.196
   72   2HD   PRO  11           HD1      PRO  11   6.112  -3.881  -3.881
   73    H    GLY  12           HN       GLY  12   5.577  -0.628  -0.628
   74   1HA   GLY  12           HA2      GLY  12   6.957   1.978   1.978
   75   2HA   GLY  12           HA1      GLY  12   5.487   1.773   1.773
   76    H    LEU  13           HN       LEU  13   5.700   3.522   3.522
   77    HA   LEU  13           HA       LEU  13   4.109   4.089   4.089
   78   1HB   LEU  13           HB2      LEU  13   2.192   2.949   2.949
   79   2HB   LEU  13           HB1      LEU  13   2.852   2.050   2.050
   80    HG   LEU  13           HG       LEU  13   3.784   0.812   0.812
   81   1HD1  LEU  13          HD12      LEU  13   0.983   1.788   1.788
   82   2HD1  LEU  13          HD11      LEU  13   1.275   0.137   0.137
   83   3HD1  LEU  13          HD13      LEU  13   2.091   1.485   1.485
   84   1HD2  LEU  13          HD22      LEU  13   2.370   0.145   0.145
   85   2HD2  LEU  13          HD21      LEU  13   3.476  -0.843  -0.843
   86   3HD2  LEU  13          HD23      LEU  13   1.765  -0.774  -0.774
   87    H    ASP  14           HN       ASP  14   6.550   1.875   1.875
   88    HA   ASP  14           HA       ASP  14   6.413   1.011   1.011
   89   1HB   ASP  14           HB2      ASP  14   8.989   1.634   1.634
   90   2HB   ASP  14           HB1      ASP  14   8.641   0.328   0.328
   91    H    GLY  15           HN       GLY  15   7.119   3.945   3.945
   92   1HA   GLY  15           HA2      GLY  15   7.374   6.108   6.108
   93   2HA   GLY  15           HA1      GLY  15   7.441   5.363   5.363
   94    H    GLY  16           HN       GLY  16   9.241   6.018   6.018
   95   1HA   GLY  16           HA2      GLY  16  11.539   6.243   6.243
   96   2HA   GLY  16           HA1      GLY  16  11.796   5.084   5.084
   97    H    GLU  17           HN       GLU  17  11.298   6.187   6.187
   98    HA   GLU  17           HA       GLU  17  12.644   8.857   8.857
   99   1HB   GLU  17           HB2      GLU  17  13.097   6.528   6.528
  100   2HB   GLU  17           HB1      GLU  17  13.656   8.146   8.146
  101   1HG   GLU  17           HG2      GLU  17  15.435   7.894   7.894
  102   2HG   GLU  17           HG1      GLU  17  14.374   7.488   7.488
  103    H    CYS  18           HN       CYS  18  11.943  10.390  10.390
  104    HA   CYS  18           HA       CYS  18   9.330   9.935   9.935
  105   1HB   CYS  18           HB2      CYS  18  10.936  12.361  12.361
  106   2HB   CYS  18           HB1      CYS  18   9.868  12.461  12.461
  107    HG   CYS  18           HG       CYS  18   7.894  11.633  11.633
  108    H    PHE  19           HN       PHE  19  12.657  10.086  10.086
  109    HA   PHE  19           HA       PHE  19  12.024  10.707  10.707
  110   1HB   PHE  19           HB2      PHE  19  14.611  10.265  10.265
  111   2HB   PHE  19           HB1      PHE  19  14.550  10.394  10.394
  112    HD1  PHE  19           HD2      PHE  19  12.885  12.051  12.051
  113    HD2  PHE  19           HD1      PHE  19  14.975  12.563  12.563
  114    HE1  PHE  19           HE2      PHE  19  12.618  14.489  14.489
  115    HE2  PHE  19           HE1      PHE  19  14.697  15.025  15.025
  116    HZ   PHE  19           HZ       PHE  19  13.504  15.971  15.971
  117    H    GLN  20           HN       GLN  20  11.439   8.117   8.117
  118    HA   GLN  20           HA       GLN  20  12.577   6.193   6.193
  119   1HB   GLN  20           HB2      GLN  20  11.295   5.908   5.908
  120   2HB   GLN  20           HB1      GLN  20  11.360   4.533   4.533
  121   1HG   GLN  20           HG2      GLN  20  13.927   5.900   5.900
  122   2HG   GLN  20           HG1      GLN  20  13.392   5.353   5.353
  123   1HE2  GLN  20          HE22      GLN  20  15.175   2.499   2.499
  124   2HE2  GLN  20          HE21      GLN  20  15.606   4.067   4.067
  125    HA   PRO  21           HA       PRO  21   8.742   6.497   6.497
  126   1HB   PRO  21           HB2      PRO  21   8.808   4.082   4.082
  127   2HB   PRO  21           HB1      PRO  21   9.712   5.521   5.521
  128   1HG   PRO  21           HG2      PRO  21  10.706   3.063   3.063
  129   2HG   PRO  21           HG1      PRO  21  11.555   4.138   4.138
  130   1HD   PRO  21           HD2      PRO  21  11.889   4.174   4.174
  131   2HD   PRO  21           HD1      PRO  21  12.286   5.528   5.528
  132    H    SER  22           HN       SER  22   6.667   6.040   6.040
  133    HA   SER  22           HA       SER  22   6.371   3.781   3.781
  134   1HB   SER  22           HB2      SER  22   4.313   5.849   5.849
  135   2HB   SER  22           HB1      SER  22   4.528   4.892   4.892
  136    HG   SER  22           HG       SER  22   6.366   6.839   6.839
  137    H    LYS  23           HN       LYS  23   5.680   1.952   1.952
  138    HA   LYS  23           HA       LYS  23   3.273   2.215   2.215
  139   1HB   LYS  23           HB2      LYS  23   5.552   0.548   0.548
  140   2HB   LYS  23           HB1      LYS  23   4.161   1.172   1.172
  141   1HG   LYS  23           HG2      LYS  23   5.037   3.479   3.479
  142   2HG   LYS  23           HG1      LYS  23   6.458   2.823   2.823
  143   1HD   LYS  23           HD2      LYS  23   5.636   1.957   1.957
  144   2HD   LYS  23           HD1      LYS  23   6.731   3.310   3.310
  145   1HE   LYS  23           HE2      LYS  23   8.275   1.849   1.849
  146   2HE   LYS  23           HE1      LYS  23   7.163   0.491   0.491
  147   1HZ   LYS  23           HZ1      LYS  23   7.874   1.843   1.843
  148   2HZ   LYS  23           HZ3      LYS  23   9.154   1.032   1.032
  149   3HZ   LYS  23           HZ2      LYS  23   7.748   0.180   0.180
  150    H    PHE  24           HN       PHE  24   1.921   0.569   0.569
  151    HA   PHE  24           HA       PHE  24   3.026  -1.963  -1.963
  152   1HB   PHE  24           HB2      PHE  24   0.590  -1.440  -1.440
  153   2HB   PHE  24           HB1      PHE  24   2.202  -1.689  -1.689
  154    HD1  PHE  24           HD1      PHE  24   3.823   0.372   0.372
  155    HD2  PHE  24           HD2      PHE  24  -0.456   0.587   0.587
  156    HE1  PHE  24           HE1      PHE  24   3.973   2.775   2.775
  157    HE2  PHE  24           HE2      PHE  24  -0.312   2.993   2.993
  158    HZ   PHE  24           HZ       PHE  24   1.907   4.080   4.080
  159    H    LYS  25           HN       LYS  25   1.491  -3.754  -3.754
  160    HA   LYS  25           HA       LYS  25  -0.554  -3.241  -3.241
  161   1HB   LYS  25           HB2      LYS  25   0.678  -5.938  -5.938
  162   2HB   LYS  25           HB1      LYS  25  -0.076  -5.348  -5.348
  163   1HG   LYS  25           HG2      LYS  25   1.903  -3.565  -3.565
  164   2HG   LYS  25           HG1      LYS  25   2.677  -4.858  -4.858
  165   1HD   LYS  25           HD2      LYS  25   1.323  -5.633  -5.633
  166   2HD   LYS  25           HD1      LYS  25   2.828  -4.722  -4.722
  167   1HE   LYS  25           HE2      LYS  25   3.856  -6.388  -6.388
  168   2HE   LYS  25           HE1      LYS  25   2.396  -7.358  -7.358
  169   1HZ   LYS  25           HZ1      LYS  25   3.965  -6.432  -6.432
  170   2HZ   LYS  25           HZ3      LYS  25   4.355  -7.867  -7.867
  171   3HZ   LYS  25           HZ2      LYS  25   2.833  -7.697  -7.697
  172    H    ILE  26           HN       ILE  26  -2.626  -4.077  -4.077
  173    HA   ILE  26           HA       ILE  26  -3.016  -5.223  -5.223
  174    HB   ILE  26           HB       ILE  26  -5.180  -3.872  -3.872
  175   1HG1  ILE  26          HG12      ILE  26  -2.885  -2.637  -2.637
  176   2HG1  ILE  26          HG11      ILE  26  -3.538  -2.174  -2.174
  177   1HG2  ILE  26          HG23      ILE  26  -4.593  -4.215  -4.215
  178   2HG2  ILE  26          HG22      ILE  26  -6.007  -3.401  -3.401
  179   3HG2  ILE  26          HG21      ILE  26  -5.775  -5.128  -5.128
  180   1HD1  ILE  26          HD12      ILE  26  -5.614  -1.403  -1.403
  181   2HD1  ILE  26          HD11      ILE  26  -4.935  -1.835  -1.835
  182   3HD1  ILE  26          HD13      ILE  26  -4.201  -0.546  -0.546
  183    H    HIS  27           HN       HIS  27  -4.567  -6.885  -6.885
  184    HA   HIS  27           HA       HIS  27  -5.494  -8.168  -8.168
  185   1HB   HIS  27           HB2      HIS  27  -4.289  -9.815  -9.815
  186   2HB   HIS  27           HB1      HIS  27  -4.571 -10.271 -10.271
  187    HD1  HIS  27           HD1      HIS  27  -2.616  -7.512  -7.512
  188    HD2  HIS  27           HD2      HIS  27  -2.206 -10.166 -10.166
  189    HE1  HIS  27           HE1      HIS  27  -0.354  -7.066  -7.066
  190    H    ALA  28           HN       ALA  28  -7.622  -8.428  -8.428
  191    HA   ALA  28           HA       ALA  28  -8.846  -8.696  -8.696
  192   1HB   ALA  28           HB3      ALA  28  -9.560  -7.195  -7.195
  193   2HB   ALA  28           HB2      ALA  28 -10.629  -8.592  -8.592
  194   3HB   ALA  28           HB1      ALA  28 -10.642  -7.606  -7.606
  195    H    VAL  29           HN       VAL  29 -10.051 -10.573 -10.573
  196    HA   VAL  29           HA       VAL  29 -10.206 -12.706 -12.706
  197    HB   VAL  29           HB       VAL  29  -8.945 -12.841 -12.841
  198   1HG1  VAL  29          HG11      VAL  29 -10.649 -15.034 -15.034
  199   2HG1  VAL  29          HG13      VAL  29  -9.375 -15.365 -15.365
  200   3HG1  VAL  29          HG12      VAL  29 -10.756 -14.367 -14.367
  201   1HG2  VAL  29          HG23      VAL  29  -8.182 -13.212 -13.212
  202   2HG2  VAL  29          HG22      VAL  29  -7.236 -13.646 -13.646
  203   3HG2  VAL  29          HG21      VAL  29  -8.277 -14.846 -14.846
  204    H    ASP  30           HN       ASP  30 -12.245 -13.257 -13.257
  205    HA   ASP  30           HA       ASP  30 -14.197 -12.738 -12.738
  206   1HB   ASP  30           HB2      ASP  30 -15.761 -12.277 -12.277
  207   2HB   ASP  30           HB1      ASP  30 -14.295 -11.803 -11.803
  208    HA   PRO  31           HA       PRO  31 -15.111 -17.015 -17.015
  209   1HB   PRO  31           HB2      PRO  31 -17.836 -17.224 -17.224
  210   2HB   PRO  31           HB1      PRO  31 -17.049 -16.552 -16.552
  211   1HG   PRO  31           HG2      PRO  31 -18.481 -15.131 -15.131
  212   2HG   PRO  31           HG1      PRO  31 -18.238 -14.640 -14.640
  213   1HD   PRO  31           HD2      PRO  31 -16.804 -13.672 -13.672
  214   2HD   PRO  31           HD1      PRO  31 -16.355 -13.442 -13.442
  215    H    ASP  32           HN       ASP  32 -14.731 -16.002 -16.002
  216    HA   ASP  32           HA       ASP  32 -16.003 -18.419 -18.419
  217   1HB   ASP  32           HB2      ASP  32 -15.885 -15.597 -15.597
  218   2HB   ASP  32           HB1      ASP  32 -15.514 -16.793 -16.793
  219    H    GLY  33           HN       GLY  33 -13.193 -17.482 -17.482
  220   1HA   GLY  33           HA2      GLY  33 -10.995 -18.245 -18.245
  221   2HA   GLY  33           HA1      GLY  33 -11.613 -19.143 -19.143
  222    H    VAL  34           HN       VAL  34 -12.251 -15.779 -15.779
  223    HA   VAL  34           HA       VAL  34 -10.297 -14.905 -14.905
  224    HB   VAL  34           HB       VAL  34 -13.115 -13.997 -13.997
  225   1HG1  VAL  34          HG11      VAL  34 -10.713 -13.695 -13.695
  226   2HG1  VAL  34          HG13      VAL  34 -11.505 -14.960 -14.960
  227   3HG1  VAL  34          HG12      VAL  34 -12.302 -13.403 -13.403
  228   1HG2  VAL  34          HG21      VAL  34 -12.120 -16.776 -16.776
  229   2HG2  VAL  34          HG23      VAL  34 -13.542 -16.350 -16.350
  230   3HG2  VAL  34          HG22      VAL  34 -13.513 -16.028 -16.028
  231    H    HIS  35           HN       HIS  35 -10.850 -12.362 -12.362
  232    HA   HIS  35           HA       HIS  35 -10.958 -11.280 -11.280
  233   1HB   HIS  35           HB2      HIS  35 -10.405  -9.633  -9.633
  234   2HB   HIS  35           HB1      HIS  35  -9.831  -9.381  -9.381
  235    HD1  HIS  35           HD1      HIS  35  -7.478 -10.123 -10.123
  236    HD2  HIS  35           HD2      HIS  35  -9.206 -12.181 -12.181
  237    HE1  HIS  35           HE1      HIS  35  -5.681 -11.640 -11.640
  238    H    ARG  36           HN       ARG  36 -13.360 -12.136 -12.136
  239    HA   ARG  36           HA       ARG  36 -15.591 -11.503 -11.503
  240   1HB   ARG  36           HB2      ARG  36 -14.177  -9.187  -9.187
  241   2HB   ARG  36           HB1      ARG  36 -15.384  -8.668  -8.668
  242   1HG   ARG  36           HG2      ARG  36 -16.941 -10.335 -10.335
  243   2HG   ARG  36           HG1      ARG  36 -15.778 -10.052 -10.052
  244   1HD   ARG  36           HD2      ARG  36 -16.713  -8.051  -8.051
  245   2HD   ARG  36           HD1      ARG  36 -16.434  -7.536  -7.536
  246    HE   ARG  36           HE       ARG  36 -18.973  -8.318  -8.318
  247   1HH1  ARG  36          HH11      ARG  36 -19.059 -10.538 -10.538
  248   2HH1  ARG  36          HH12      ARG  36 -19.447  -9.898  -9.898
  249   1HH2  ARG  36          HH21      ARG  36 -18.568  -6.647  -6.647
  250   2HH2  ARG  36          HH22      ARG  36 -19.166  -7.699  -7.699
  251    H    THR  37           HN       THR  37 -15.056 -12.490 -12.490
  252    HA   THR  37           HA       THR  37 -15.276 -12.355 -12.355
  253    HB   THR  37           HB       THR  37 -17.195 -10.103 -10.103
  254    HG1  THR  37           HG1      THR  37 -17.305 -12.829 -12.829
  255   1HG2  THR  37          HG23      THR  37 -16.519 -11.203 -11.203
  256   2HG2  THR  37          HG22      THR  37 -17.802 -12.310 -12.310
  257   3HG2  THR  37          HG21      THR  37 -18.133 -10.584 -10.584
  258    H    ASP  38           HN       ASP  38 -13.161 -11.467 -11.467
  259    HA   ASP  38           HA       ASP  38 -12.154  -8.940  -8.940
  260   1HB   ASP  38           HB2      ASP  38 -11.488 -11.095 -11.095
  261   2HB   ASP  38           HB1      ASP  38 -11.867  -9.864  -9.864
  262    H    GLY  39           HN       GLY  39 -12.336  -6.923  -6.923
  263   1HA   GLY  39           HA2      GLY  39 -13.300  -5.363  -5.363
  264   2HA   GLY  39           HA1      GLY  39 -14.399  -6.626  -6.626
  265    H    GLY  40           HN       GLY  40 -15.417  -7.426  -7.426
  266   1HA   GLY  40           HA2      GLY  40 -17.034  -4.996  -4.996
  267   2HA   GLY  40           HA1      GLY  40 -17.591  -6.655  -6.655
  268    H    ASP  41           HN       ASP  41 -14.575  -5.010  -5.010
  269    HA   ASP  41           HA       ASP  41 -15.116  -6.048  -6.048
  270   1HB   ASP  41           HB2      ASP  41 -12.516  -4.978  -4.978
  271   2HB   ASP  41           HB1      ASP  41 -12.721  -5.815  -5.815
  272    H    GLY  42           HN       GLY  42 -15.994  -4.519  -4.519
  273   1HA   GLY  42           HA2      GLY  42 -15.935  -1.694  -1.694
  274   2HA   GLY  42           HA1      GLY  42 -16.449  -2.401  -2.401
  275    H    PHE  43           HN       PHE  43 -13.469  -1.906  -1.906
  276    HA   PHE  43           HA       PHE  43 -11.932  -1.784  -1.784
  277   1HB   PHE  43           HB2      PHE  43 -11.423  -2.850  -2.850
  278   2HB   PHE  43           HB1      PHE  43 -10.386  -1.428  -1.428
  279    HD1  PHE  43           HD1      PHE  43 -11.423  -4.468  -4.468
  280    HD2  PHE  43           HD2      PHE  43  -8.381  -1.525  -1.525
  281    HE1  PHE  43           HE1      PHE  43  -9.858  -5.735  -5.735
  282    HE2  PHE  43           HE2      PHE  43  -6.817  -2.790  -2.790
  283    HZ   PHE  43           HZ       PHE  43  -7.562  -4.893  -4.893
  284    H    VAL  44           HN       VAL  44 -11.389   0.115   0.115
  285    HA   VAL  44           HA       VAL  44 -10.904   2.430   2.430
  286    HB   VAL  44           HB       VAL  44 -12.950   3.229   3.229
  287   1HG1  VAL  44          HG11      VAL  44 -12.690   1.104   1.104
  288   2HG1  VAL  44          HG13      VAL  44 -13.372   2.558   2.558
  289   3HG1  VAL  44          HG12      VAL  44 -14.144   1.824   1.824
  290   1HG2  VAL  44          HG23      VAL  44 -11.196   4.719   4.719
  291   2HG2  VAL  44          HG22      VAL  44 -12.700   4.735   4.735
  292   3HG2  VAL  44          HG21      VAL  44 -11.318   3.810   3.810
  293    H    VAL  45           HN       VAL  45  -8.796   2.873   2.873
  294    HA   VAL  45           HA       VAL  45  -7.808   2.648   2.648
  295    HB   VAL  45           HB       VAL  45  -6.294   2.222   2.222
  296   1HG1  VAL  45          HG12      VAL  45  -5.431   2.334   2.334
  297   2HG1  VAL  45          HG11      VAL  45  -4.488   1.474   1.474
  298   3HG1  VAL  45          HG13      VAL  45  -4.756   3.209   3.209
  299   1HG2  VAL  45          HG21      VAL  45  -7.929   0.479   0.479
  300   2HG2  VAL  45          HG23      VAL  45  -6.664   0.010   0.010
  301   3HG2  VAL  45          HG22      VAL  45  -6.312   0.098   0.098
  302    H    THR  46           HN       THR  46  -6.309   4.282   4.282
  303    HA   THR  46           HA       THR  46  -5.758   6.513   6.513
  304    HB   THR  46           HB       THR  46  -7.023   7.839   7.839
  305    HG1  THR  46           HG1      THR  46  -8.950   6.880   6.880
  306   1HG2  THR  46          HG22      THR  46  -6.832   8.214   8.214
  307   2HG2  THR  46          HG21      THR  46  -8.382   7.373   7.373
  308   3HG2  THR  46          HG23      THR  46  -8.207   8.869   8.869
  309    H    ILE  47           HN       ILE  47  -3.851   7.291   7.291
  310    HA   ILE  47           HA       ILE  47  -2.974   7.128   7.128
  311    HB   ILE  47           HB       ILE  47  -1.451   6.707   6.707
  312   1HG1  ILE  47          HG12      ILE  47  -1.991   5.214   5.214
  313   2HG1  ILE  47          HG11      ILE  47  -1.615   4.605   4.605
  314   1HG2  ILE  47          HG23      ILE  47  -0.278   7.695   7.695
  315   2HG2  ILE  47          HG22      ILE  47   0.662   7.109   7.109
  316   3HG2  ILE  47          HG21      ILE  47  -0.294   8.570   8.570
  317   1HD1  ILE  47          HD13      ILE  47   0.779   5.484   5.484
  318   2HD1  ILE  47          HD12      ILE  47   0.307   5.582   5.582
  319   3HD1  ILE  47          HD11      ILE  47   0.300   4.028   4.028
  320    H    GLU  48           HN       GLU  48  -1.613   8.962   8.962
  321    HA   GLU  48           HA       GLU  48  -1.228  11.125  11.125
  322   1HB   GLU  48           HB2      GLU  48  -2.749  12.715  12.715
  323   2HB   GLU  48           HB1      GLU  48  -3.455  11.776  11.776
  324   1HG   GLU  48           HG2      GLU  48  -4.697  10.537  10.537
  325   2HG   GLU  48           HG1      GLU  48  -3.322  10.250  10.250
  326    H    GLY  49           HN       GLY  49   0.016  12.775  12.775
  327   1HA   GLY  49           HA2      GLY  49   0.740  12.888  12.888
  328   2HA   GLY  49           HA1      GLY  49   2.033  12.343  12.343
  329    HA   PRO  50           HA       PRO  50   1.956  16.979  16.979
  330   1HB   PRO  50           HB2      PRO  50   4.564  17.306  17.306
  331   2HB   PRO  50           HB1      PRO  50   3.196  17.221  17.221
  332   1HG   PRO  50           HG2      PRO  50   5.262  15.154  15.154
  333   2HG   PRO  50           HG1      PRO  50   4.325  15.403  15.403
  334   1HD   PRO  50           HD2      PRO  50   3.811  13.435  13.435
  335   2HD   PRO  50           HD1      PRO  50   2.694  13.934  13.934
  336    H    ALA  51           HN       ALA  51   1.898  16.077  16.077
  337    HA   ALA  51           HA       ALA  51   4.331  17.036  17.036
  338   1HB   ALA  51           HB3      ALA  51   4.143  14.315  14.315
  339   2HB   ALA  51           HB2      ALA  51   3.534  14.451  14.451
  340   3HB   ALA  51           HB1      ALA  51   5.145  15.052  15.052
  341    HA   PRO  52           HA       PRO  52   1.493  18.054  18.054
  342   1HB   PRO  52           HB2      PRO  52   2.910  17.485  17.485
  343   2HB   PRO  52           HB1      PRO  52   3.263  18.866  18.866
  344   1HG   PRO  52           HG2      PRO  52   4.756  16.302  16.302
  345   2HG   PRO  52           HG1      PRO  52   5.349  17.891  17.891
  346   1HD   PRO  52           HD2      PRO  52   4.770  15.713  15.713
  347   2HD   PRO  52           HD1      PRO  52   5.042  17.394  17.394
  348    H    VAL  53           HN       VAL  53   2.949  14.844  14.844
  349    HA   VAL  53           HA       VAL  53   0.507  13.952  13.952
  350    HB   VAL  53           HB       VAL  53   2.206  11.812  11.812
  351   1HG1  VAL  53          HG12      VAL  53   1.348  13.978  13.978
  352   2HG1  VAL  53          HG11      VAL  53   2.959  13.410  13.410
  353   3HG1  VAL  53          HG13      VAL  53   1.609  12.276  12.276
  354   1HG2  VAL  53          HG22      VAL  53   3.898  14.333  14.333
  355   2HG2  VAL  53          HG21      VAL  53   4.040  12.961  12.961
  356   3HG2  VAL  53          HG23      VAL  53   4.451  12.771  12.771
  357    H    ASP  54           HN       ASP  54  -0.528  14.065  14.065
  358    HA   ASP  54           HA       ASP  54   0.345  11.900  11.900
  359   1HB   ASP  54           HB2      ASP  54  -1.803  14.017  14.017
  360   2HB   ASP  54           HB1      ASP  54  -1.465  12.800  12.800
  361    HA   PRO  55           HA       PRO  55  -3.985  10.276  10.276
  362   1HB   PRO  55           HB2      PRO  55  -5.298  11.503  11.503
  363   2HB   PRO  55           HB1      PRO  55  -5.464  12.009  12.009
  364   1HG   PRO  55           HG2      PRO  55  -3.997  13.345  13.345
  365   2HG   PRO  55           HG1      PRO  55  -4.667  14.045  14.045
  366   1HD   PRO  55           HD2      PRO  55  -1.933  13.405  13.405
  367   2HD   PRO  55           HD1      PRO  55  -2.648  13.896  13.896
  368    H    VAL  56           HN       VAL  56  -2.699   8.506   8.506
  369    HA   VAL  56           HA       VAL  56  -2.705   8.501   8.501
  370    HB   VAL  56           HB       VAL  56  -0.462   7.409   7.409
  371   1HG1  VAL  56          HG11      VAL  56  -0.979   7.935   7.935
  372   2HG1  VAL  56          HG13      VAL  56   0.672   7.825   7.825
  373   3HG1  VAL  56          HG12      VAL  56  -0.422   6.451   6.451
  374   1HG2  VAL  56          HG22      VAL  56  -0.795  10.154  10.154
  375   2HG2  VAL  56          HG21      VAL  56  -0.474   9.784   9.784
  376   3HG2  VAL  56          HG23      VAL  56   0.771   9.498   9.498
  377    H    MET  57           HN       MET  57  -4.443   6.959   6.959
  378    HA   MET  57           HA       MET  57  -3.513   4.258   4.258
  379   1HB   MET  57           HB2      MET  57  -5.489   3.654   3.654
  380   2HB   MET  57           HB1      MET  57  -4.996   5.205   5.205
  381   1HG   MET  57           HG2      MET  57  -6.964   5.035   5.035
  382   2HG   MET  57           HG1      MET  57  -7.490   4.910   4.910
  383   1HE   MET  57           HE2      MET  57  -8.594   6.567   6.567
  384   2HE   MET  57           HE1      MET  57  -8.432   8.305   8.305
  385   3HE   MET  57           HE3      MET  57  -9.043   7.285   7.285
  386    H    VAL  58           HN       VAL  58  -4.031   2.712   2.712
  387    HA   VAL  58           HA       VAL  58  -6.011   3.430   3.430
  388    HB   VAL  58           HB       VAL  58  -3.742   1.835   1.835
  389   1HG1  VAL  58          HG11      VAL  58  -5.469   4.110   4.110
  390   2HG1  VAL  58          HG13      VAL  58  -3.909   3.903   3.903
  391   3HG1  VAL  58          HG12      VAL  58  -5.094   2.598   2.598
  392   1HG2  VAL  58          HG23      VAL  58  -3.318   4.669   4.669
  393   2HG2  VAL  58          HG22      VAL  58  -2.390   3.233   3.233
  394   3HG2  VAL  58          HG21      VAL  58  -2.272   3.907   3.907
  395    H    ASP  59           HN       ASP  59  -6.903   1.554   1.554
  396    HA   ASP  59           HA       ASP  59  -6.695  -0.962  -0.962
  397   1HB   ASP  59           HB2      ASP  59  -8.914  -0.154  -0.154
  398   2HB   ASP  59           HB1      ASP  59  -9.018   0.329   0.329
  399    H    ASN  60           HN       ASN  60  -5.955  -2.735  -2.735
  400    HA   ASN  60           HA       ASN  60  -5.438  -2.403  -2.403
  401   1HB   ASN  60           HB2      ASN  60  -4.795  -4.812  -4.812
  402   2HB   ASN  60           HB1      ASN  60  -4.052  -4.344  -4.344
  403   1HD2  ASN  60          HD22      ASN  60  -1.592  -2.443  -2.443
  404   2HD2  ASN  60          HD21      ASN  60  -2.049  -3.368  -3.368
  405    H    GLY  61           HN       GLY  61  -7.923  -3.754  -3.754
  406   1HA   GLY  61           HA2      GLY  61  -9.876  -4.824  -4.824
  407   2HA   GLY  61           HA1      GLY  61  -9.215  -4.779  -4.779
  408    H    ASP  62           HN       ASP  62  -7.021  -6.105  -6.105
  409    HA   ASP  62           HA       ASP  62  -7.761  -8.847  -8.847
  410   1HB   ASP  62           HB2      ASP  62  -5.307  -9.347  -9.347
  411   2HB   ASP  62           HB1      ASP  62  -5.595  -8.322  -8.322
  412    H    GLY  63           HN       GLY  63  -8.858  -7.480  -7.480
  413   1HA   GLY  63           HA2      GLY  63  -9.450  -8.210  -8.210
  414   2HA   GLY  63           HA1      GLY  63  -8.452  -9.638  -9.638
  415    H    THR  64           HN       THR  64  -6.551  -7.047  -7.047
  416    HA   THR  64           HA       THR  64  -5.601  -6.699  -6.699
  417    HB   THR  64           HB       THR  64  -3.263  -6.734  -6.734
  418    HG1  THR  64           HG1      THR  64  -4.375  -8.090  -8.090
  419   1HG2  THR  64          HG21      THR  64  -4.941  -9.242  -9.242
  420   2HG2  THR  64          HG23      THR  64  -3.180  -9.220  -9.220
  421   3HG2  THR  64          HG22      THR  64  -4.136  -8.675  -8.675
  422    H    TYR  65           HN       TYR  65  -4.749  -4.605  -4.605
  423    HA   TYR  65           HA       TYR  65  -5.039  -2.668  -2.668
  424   1HB   TYR  65           HB2      TYR  65  -5.727  -2.286  -2.286
  425   2HB   TYR  65           HB1      TYR  65  -5.805  -1.019  -1.019
  426    HD1  TYR  65           HD2      TYR  65  -6.928  -4.565  -4.565
  427    HD2  TYR  65           HD1      TYR  65  -7.825  -0.696  -0.696
  428    HE1  TYR  65           HE2      TYR  65  -9.116  -5.400  -5.400
  429    HE2  TYR  65           HE1      TYR  65 -10.009  -1.529  -1.529
  430    HH   TYR  65           HH       TYR  65 -11.444  -3.225  -3.225
  431    H    ASP  66           HN       ASP  66  -3.624  -0.795  -0.795
  432    HA   ASP  66           HA       ASP  66  -1.220  -1.229  -1.229
  433   1HB   ASP  66           HB2      ASP  66  -1.362  -0.480  -0.480
  434   2HB   ASP  66           HB1      ASP  66   0.095  -0.274  -0.274
  435    H    VAL  67           HN       VAL  67  -0.690   0.551   0.551
  436    HA   VAL  67           HA       VAL  67  -1.794   3.161   3.161
  437    HB   VAL  67           HB       VAL  67  -2.396   3.710   3.710
  438   1HG1  VAL  67          HG13      VAL  67  -3.257   1.252   1.252
  439   2HG1  VAL  67          HG12      VAL  67  -3.018   0.965   0.965
  440   3HG1  VAL  67          HG11      VAL  67  -4.108   2.243   2.243
  441   1HG2  VAL  67          HG21      VAL  67  -0.506   1.520   1.520
  442   2HG2  VAL  67          HG23      VAL  67  -0.477   3.217   3.217
  443   3HG2  VAL  67          HG22      VAL  67  -1.709   2.139   2.139
  444    H    GLU  68           HN       GLU  68  -0.317   5.017   5.017
  445    HA   GLU  68           HA       GLU  68   2.333   4.380   4.380
  446   1HB   GLU  68           HB2      GLU  68   2.410   5.525   5.525
  447   2HB   GLU  68           HB1      GLU  68   3.585   4.494   4.494
  448   1HG   GLU  68           HG2      GLU  68   2.243   2.534   2.534
  449   2HG   GLU  68           HG1      GLU  68   0.851   3.501   3.501
  450    H    PHE  69           HN       PHE  69   3.042   6.140   6.140
  451    HA   PHE  69           HA       PHE  69   2.554   8.828   8.828
  452   1HB   PHE  69           HB2      PHE  69   2.003   9.873   9.873
  453   2HB   PHE  69           HB1      PHE  69   0.961   8.460   8.460
  454    HD1  PHE  69           HD2      PHE  69   2.226   6.219   6.219
  455    HD2  PHE  69           HD1      PHE  69   3.023  10.275  10.275
  456    HE1  PHE  69           HE2      PHE  69   3.147   5.432   5.432
  457    HE2  PHE  69           HE1      PHE  69   3.945   9.484   9.484
  458    HZ   PHE  69           HZ       PHE  69   3.992   7.038   7.038
  459    H    GLU  70           HN       GLU  70   4.305  10.384  10.384
  460    HA   GLU  70           HA       GLU  70   6.612   9.238   9.238
  461   1HB   GLU  70           HB2      GLU  70   8.137   9.375   9.375
  462   2HB   GLU  70           HB1      GLU  70   6.742   8.433   8.433
  463   1HG   GLU  70           HG2      GLU  70   5.954  10.985  10.985
  464   2HG   GLU  70           HG1      GLU  70   7.688  11.058  11.058
  465    HA   PRO  71           HA       PRO  71   6.534  13.736  13.736
  466   1HB   PRO  71           HB2      PRO  71   7.377  13.537  13.537
  467   2HB   PRO  71           HB1      PRO  71   5.686  13.354  13.354
  468   1HG   PRO  71           HG2      PRO  71   7.610  11.267  11.267
  469   2HG   PRO  71           HG1      PRO  71   5.839  11.245  11.245
  470   1HD   PRO  71           HD2      PRO  71   7.534   9.955   9.955
  471   2HD   PRO  71           HD1      PRO  71   5.763  10.093  10.093
  472    H    LYS  72           HN       LYS  72   8.366  15.122  15.122
  473    HA   LYS  72           HA       LYS  72  11.098  14.006  14.006
  474   1HB   LYS  72           HB2      LYS  72  11.534  16.438  16.438
  475   2HB   LYS  72           HB1      LYS  72  11.022  15.105  15.105
  476   1HG   LYS  72           HG2      LYS  72   8.948  15.998  15.998
  477   2HG   LYS  72           HG1      LYS  72   8.824  16.590  16.590
  478   1HD   LYS  72           HD2      LYS  72  10.750  17.871  17.871
  479   2HD   LYS  72           HD1      LYS  72   9.047  18.331  18.331
  480   1HE   LYS  72           HE2      LYS  72   9.133  19.166  19.166
  481   2HE   LYS  72           HE1      LYS  72  10.598  18.262  18.262
  482   1HZ   LYS  72           HZ3      LYS  72  11.569  19.706  19.706
  483   2HZ   LYS  72           HZ2      LYS  72  10.292  20.751  20.751
  484   3HZ   LYS  72           HZ1      LYS  72  11.453  20.331  20.331
  485    H    GLU  73           HN       GLU  73   9.599  14.731  14.731
  486    HA   GLU  73           HA       GLU  73  11.681  16.480  16.480
  487   1HB   GLU  73           HB2      GLU  73  10.068  18.072  18.072
  488   2HB   GLU  73           HB1      GLU  73   9.915  18.045  18.045
  489   1HG   GLU  73           HG2      GLU  73   7.812  17.208  17.208
  490   2HG   GLU  73           HG1      GLU  73   8.222  16.054  16.054
  491    H    ALA  74           HN       ALA  74   9.987  16.885  16.885
  492    HA   ALA  74           HA       ALA  74  10.207  14.126  14.126
  493   1HB   ALA  74           HB3      ALA  74  11.080  16.540  16.540
  494   2HB   ALA  74           HB2      ALA  74   9.556  16.287  16.287
  495   3HB   ALA  74           HB1      ALA  74  10.829  15.070  15.070
  496    H    GLY  75           HN       GLY  75   8.323  13.001  13.001
  497   1HA   GLY  75           HA2      GLY  75   5.858  14.424  14.424
  498   2HA   GLY  75           HA1      GLY  75   5.887  13.822  13.822
  499    H    ASP  76           HN       ASP  76   4.028  12.981  12.981
  500    HA   ASP  76           HA       ASP  76   4.842  10.144  10.144
  501   1HB   ASP  76           HB2      ASP  76   2.984  10.119  10.119
  502   2HB   ASP  76           HB1      ASP  76   4.210  11.318  11.318
  503    H    TYR  77           HN       TYR  77   3.177   8.578   8.578
  504    HA   TYR  77           HA       TYR  77   1.452   9.634   9.634
  505   1HB   TYR  77           HB2      TYR  77   2.256   6.761   6.761
  506   2HB   TYR  77           HB1      TYR  77   1.680   7.604   7.604
  507    HD1  TYR  77           HD2      TYR  77   3.328  10.085  10.085
  508    HD2  TYR  77           HD1      TYR  77   4.349   5.947   5.947
  509    HE1  TYR  77           HE2      TYR  77   5.631  10.570  10.570
  510    HE2  TYR  77           HE1      TYR  77   6.649   6.422   6.422
  511    HH   TYR  77           HH       TYR  77   7.525   9.371   9.371
  512    H    VAL  78           HN       VAL  78  -0.640   9.263   9.263
  513    HA   VAL  78           HA       VAL  78  -1.717   7.467   7.467
  514    HB   VAL  78           HB       VAL  78  -2.637   9.615   9.615
  515   1HG1  VAL  78          HG13      VAL  78  -2.407   9.823   9.823
  516   2HG1  VAL  78          HG12      VAL  78  -3.852  10.580  10.580
  517   3HG1  VAL  78          HG11      VAL  78  -2.256  11.075  11.075
  518   1HG2  VAL  78          HG21      VAL  78  -4.459   7.856   7.856
  519   2HG2  VAL  78          HG23      VAL  78  -4.433   8.113   8.113
  520   3HG2  VAL  78          HG22      VAL  78  -5.040   9.376   9.376
  521    H    ILE  79           HN       ILE  79  -2.753   5.672   5.672
  522    HA   ILE  79           HA       ILE  79  -3.056   5.678   5.678
  523    HB   ILE  79           HB       ILE  79  -1.204   4.359   4.359
  524   1HG1  ILE  79          HG12      ILE  79  -2.667   1.964   1.964
  525   2HG1  ILE  79          HG11      ILE  79  -3.431   3.173   3.173
  526   1HG2  ILE  79          HG23      ILE  79  -2.962   3.722   3.722
  527   2HG2  ILE  79          HG22      ILE  79  -2.225   2.270   2.270
  528   3HG2  ILE  79          HG21      ILE  79  -1.210   3.593   3.593
  529   1HD1  ILE  79          HD13      ILE  79  -0.542   3.342   3.342
  530   2HD1  ILE  79          HD12      ILE  79  -1.109   1.728   1.728
  531   3HD1  ILE  79          HD11      ILE  79  -1.710   3.132   3.132
  532    H    ASN  80           HN       ASN  80  -4.680   4.370   4.370
  533    HA   ASN  80           HA       ASN  80  -6.922   3.548   3.548
  534   1HB   ASN  80           HB2      ASN  80  -7.450   5.468   5.468
  535   2HB   ASN  80           HB1      ASN  80  -8.497   5.037   5.037
  536   1HD2  ASN  80          HD22      ASN  80  -5.897   8.088   8.088
  537   2HD2  ASN  80          HD21      ASN  80  -6.096   7.281   7.281
  538    H    LEU  81           HN       LEU  81  -7.371   1.575   1.575
  539    HA   LEU  81           HA       LEU  81  -7.709   1.139   1.139
  540   1HB   LEU  81           HB2      LEU  81  -5.628   0.081   0.081
  541   2HB   LEU  81           HB1      LEU  81  -5.988  -0.438  -0.438
  542    HG   LEU  81           HG       LEU  81  -5.951  -2.232  -2.232
  543   1HD1  LEU  81          HD12      LEU  81  -7.309  -2.005  -2.005
  544   2HD1  LEU  81          HD11      LEU  81  -8.613  -2.398  -2.398
  545   3HD1  LEU  81          HD13      LEU  81  -7.224  -3.473  -3.473
  546   1HD2  LEU  81          HD22      LEU  81  -8.195  -0.535  -0.535
  547   2HD2  LEU  81          HD21      LEU  81  -7.163  -1.635  -1.635
  548   3HD2  LEU  81          HD23      LEU  81  -8.517  -2.266  -2.266
  549    H    THR  82           HN       THR  82  -9.780   0.628   0.628
  550    HA   THR  82           HA       THR  82 -11.119  -0.966  -0.966
  551    HB   THR  82           HB       THR  82 -13.174   0.413   0.413
  552    HG1  THR  82           HG1      THR  82 -11.425   1.316   1.316
  553   1HG2  THR  82          HG21      THR  82 -11.006   1.021   1.021
  554   2HG2  THR  82          HG23      THR  82 -11.913   2.448   2.448
  555   3HG2  THR  82          HG22      THR  82 -12.751   1.088   1.088
  556    H    LEU  83           HN       LEU  83 -12.321  -2.687  -2.687
  557    HA   LEU  83           HA       LEU  83 -13.142  -2.856  -2.856
  558   1HB   LEU  83           HB2      LEU  83 -11.001  -4.105  -4.105
  559   2HB   LEU  83           HB1      LEU  83 -11.726  -5.129  -5.129
  560    HG   LEU  83           HG       LEU  83 -11.710  -5.806  -5.806
  561   1HD1  LEU  83          HD13      LEU  83 -12.858  -6.766  -6.766
  562   2HD1  LEU  83          HD12      LEU  83 -14.271  -6.505  -6.505
  563   3HD1  LEU  83          HD11      LEU  83 -12.960  -7.545  -7.545
  564   1HD2  LEU  83          HD22      LEU  83 -13.133  -3.736  -3.736
  565   2HD2  LEU  83          HD21      LEU  83 -13.784  -5.267  -5.267
  566   3HD2  LEU  83          HD23      LEU  83 -14.440  -4.530  -4.530
  567    H    ASP  84           HN       ASP  84 -15.187  -2.347  -2.347
  568    HA   ASP  84           HA       ASP  84 -17.199  -4.021  -4.021
  569   1HB   ASP  84           HB2      ASP  84 -15.525  -4.799  -4.799
  570   2HB   ASP  84           HB1      ASP  84 -17.281  -4.934  -4.934
  571    H    GLY  85           HN       GLY  85 -15.465  -1.689  -1.689
  572   1HA   GLY  85           HA2      GLY  85 -16.919   0.427   0.427
  573   2HA   GLY  85           HA1      GLY  85 -18.001  -0.640  -0.640
  574    H    ASP  86           HN       ASP  86 -14.860  -1.704  -1.704
  575    HA   ASP  86           HA       ASP  86 -14.586   0.132   0.132
  576   1HB   ASP  86           HB2      ASP  86 -14.525  -2.889  -2.889
  577   2HB   ASP  86           HB1      ASP  86 -13.712  -1.989  -1.989
  578    H    ASN  87           HN       ASN  87 -12.231  -0.194  -0.194
  579    HA   ASN  87           HA       ASN  87 -10.387  -0.281  -0.281
  580   1HB   ASN  87           HB2      ASN  87 -10.461   1.225   1.225
  581   2HB   ASN  87           HB1      ASN  87  -8.865   0.701   0.701
  582   1HD2  ASN  87          HD22      ASN  87 -10.923   3.476   3.476
  583   2HD2  ASN  87          HD21      ASN  87 -11.750   2.540   2.540
  584    H    VAL  88           HN       VAL  88  -8.446  -1.554  -1.554
  585    HA   VAL  88           HA       VAL  88  -8.795  -4.015  -4.015
  586    HB   VAL  88           HB       VAL  88  -6.572  -2.796  -2.796
  587   1HG1  VAL  88          HG13      VAL  88  -5.465  -3.999  -3.999
  588   2HG1  VAL  88          HG12      VAL  88  -6.400  -5.440  -5.440
  589   3HG1  VAL  88          HG11      VAL  88  -5.216  -4.814  -4.814
  590   1HG2  VAL  88          HG22      VAL  88  -8.220  -5.333  -5.333
  591   2HG2  VAL  88          HG21      VAL  88  -8.496  -3.858  -3.858
  592   3HG2  VAL  88          HG23      VAL  88  -7.030  -4.803  -4.803
  593    H    ASN  89           HN       ASN  89  -6.931  -4.841  -4.841
  594    HA   ASN  89           HA       ASN  89  -6.883  -3.003  -3.003
  595   1HB   ASN  89           HB2      ASN  89  -5.715  -5.763  -5.763
  596   2HB   ASN  89           HB1      ASN  89  -5.630  -4.875  -4.875
  597   1HD2  ASN  89          HD22      ASN  89  -9.144  -5.196  -5.196
  598   2HD2  ASN  89          HD21      ASN  89  -7.794  -4.208  -4.208
  599    H    GLY  90           HN       GLY  90  -5.152  -2.489  -2.489
  600   1HA   GLY  90           HA2      GLY  90  -2.745  -1.709  -1.709
  601   2HA   GLY  90           HA1      GLY  90  -2.513  -2.568  -2.568
  602    H    PHE  91           HN       PHE  91  -5.252  -0.564  -0.564
  603    HA   PHE  91           HA       PHE  91  -3.831   1.452   1.452
  604   1HB   PHE  91           HB2      PHE  91  -6.390   0.005   0.005
  605   2HB   PHE  91           HB1      PHE  91  -6.356   1.682   1.682
  606    HD1  PHE  91           HD2      PHE  91  -4.592  -1.596  -1.596
  607    HD2  PHE  91           HD1      PHE  91  -5.164   2.281   2.281
  608    HE1  PHE  91           HE2      PHE  91  -3.228  -2.220  -2.220
  609    HE2  PHE  91           HE1      PHE  91  -3.829   1.690   1.690
  610    HZ   PHE  91           HZ       PHE  91  -2.857  -0.588  -0.588
  611    HA   PRO  92           HA       PRO  92  -6.713   4.075   4.075
  612   1HB   PRO  92           HB2      PRO  92  -7.380   3.089   3.089
  613   2HB   PRO  92           HB1      PRO  92  -8.423   2.936   2.936
  614   1HG   PRO  92           HG2      PRO  92  -6.753   0.860   0.860
  615   2HG   PRO  92           HG1      PRO  92  -8.222   0.665   0.665
  616   1HD   PRO  92           HD2      PRO  92  -5.577   0.201   0.201
  617   2HD   PRO  92           HD1      PRO  92  -7.010   0.330   0.330
  618    H    LYS  93           HN       LYS  93  -3.881   2.704   2.704
  619    HA   LYS  93           HA       LYS  93  -2.979   4.012   4.012
  620   1HB   LYS  93           HB2      LYS  93  -2.482   1.554   1.554
  621   2HB   LYS  93           HB1      LYS  93  -1.430   2.128   2.128
  622   1HG   LYS  93           HG2      LYS  93  -0.251   1.694   1.694
  623   2HG   LYS  93           HG1      LYS  93  -0.027   3.320   3.320
  624   1HD   LYS  93           HD2      LYS  93  -1.157   4.282   4.282
  625   2HD   LYS  93           HD1      LYS  93  -2.399   3.031   3.031
  626   1HE   LYS  93           HE2      LYS  93  -1.442   2.158   2.158
  627   2HE   LYS  93           HE1      LYS  93  -0.032   1.758   1.758
  628   1HZ   LYS  93           HZ3      LYS  93  -0.428   4.439   4.439
  629   2HZ   LYS  93           HZ2      LYS  93   0.378   3.191   3.191
  630   3HZ   LYS  93           HZ1      LYS  93   0.995   3.781   3.781
  631    H    THR  94           HN       THR  94  -0.794   4.999   4.999
  632    HA   THR  94           HA       THR  94  -0.477   6.409   6.409
  633    HB   THR  94           HB       THR  94   0.009   7.602   7.602
  634    HG1  THR  94           HG1      THR  94  -2.227   7.105   7.105
  635   1HG2  THR  94          HG21      THR  94  -0.161   8.779   8.779
  636   2HG2  THR  94          HG23      THR  94   0.038   9.712   9.712
  637   3HG2  THR  94          HG22      THR  94   1.303   8.597   8.597
  638    H    VAL  95           HN       VAL  95   1.546   6.301   6.301
  639    HA   VAL  95           HA       VAL  95   3.585   5.083   5.083
  640    HB   VAL  95           HB       VAL  95   3.293   5.211   5.211
  641   1HG1  VAL  95          HG13      VAL  95   5.656   5.949   5.949
  642   2HG1  VAL  95          HG12      VAL  95   5.835   4.299   4.299
  643   3HG1  VAL  95          HG11      VAL  95   5.531   4.590   4.590
  644   1HG2  VAL  95          HG23      VAL  95   2.896   3.298   3.298
  645   2HG2  VAL  95          HG22      VAL  95   2.874   3.024   3.024
  646   3HG2  VAL  95          HG21      VAL  95   4.370   2.809   2.809
  647    H    THR  96           HN       THR  96   5.772   6.101   6.101
  648    HA   THR  96           HA       THR  96   5.512   9.031   9.031
  649    HB   THR  96           HB       THR  96   7.193   7.833   7.833
  650    HG1  THR  96           HG1      THR  96   5.472   7.683   7.683
  651   1HG2  THR  96          HG21      THR  96   5.882  10.535  10.535
  652   2HG2  THR  96          HG23      THR  96   6.839  10.072  10.072
  653   3HG2  THR  96          HG22      THR  96   7.602  10.181  10.181
  654    H    VAL  97           HN       VAL  97   7.133  10.137  10.137
  655    HA   VAL  97           HA       VAL  97   9.735   8.787   8.787
  656    HB   VAL  97           HB       VAL  97   7.942  10.198  10.198
  657   1HG1  VAL  97          HG12      VAL  97  10.966  10.089  10.089
  658   2HG1  VAL  97          HG11      VAL  97   9.974  10.412  10.412
  659   3HG1  VAL  97          HG13      VAL  97   9.955  11.535  11.535
  660   1HG2  VAL  97          HG23      VAL  97   9.656   7.729   7.729
  661   2HG2  VAL  97          HG22      VAL  97   7.953   7.862   7.862
  662   3HG2  VAL  97          HG21      VAL  97   9.189   8.415   8.415
  663    H    LYS  98           HN       LYS  98  11.500  10.164  10.164
  664    HA   LYS  98           HA       LYS  98  10.871  12.693  12.693
  665   1HB   LYS  98           HB2      LYS  98  13.685  11.788  11.788
  666   2HB   LYS  98           HB1      LYS  98  12.809  12.332  12.332
  667   1HG   LYS  98           HG2      LYS  98  11.504  10.043  10.043
  668   2HG   LYS  98           HG1      LYS  98  12.989   9.586   9.586
  669   1HD   LYS  98           HD2      LYS  98  14.319  10.125  10.125
  670   2HD   LYS  98           HD1      LYS  98  12.893  10.736  10.736
  671   1HE   LYS  98           HE2      LYS  98  13.203   7.881   7.881
  672   2HE   LYS  98           HE1      LYS  98  13.509   8.404   8.404
  673   1HZ   LYS  98           HZ1      LYS  98  11.161   9.361   9.361
  674   2HZ   LYS  98           HZ3      LYS  98  10.954   8.359   8.359
  675   3HZ   LYS  98           HZ2      LYS  98  11.322   7.677   7.677
  676    HA   PRO  99           HA       PRO  99  12.508  15.390  15.390
  677   1HB   PRO  99           HB2      PRO  99  14.822  16.559  16.559
  678   2HB   PRO  99           HB1      PRO  99  13.191  17.003  17.003
  679   1HG   PRO  99           HG2      PRO  99  15.251  15.370  15.370
  680   2HG   PRO  99           HG1      PRO  99  13.968  16.389  16.389
  681   1HD   PRO  99           HD2      PRO  99  13.893  13.604  13.604
  682   2HD   PRO  99           HD1      PRO  99  12.470  14.640  14.640
  683    H    ALA 100           HN       ALA 100  12.926  13.744  13.744
  684    HA   ALA 100           HA       ALA 100  15.007  12.052  12.052
  685   1HB   ALA 100           HB2      ALA 100  13.055  13.316  13.316
  686   2HB   ALA 100           HB1      ALA 100  14.592  13.451  13.451
  687   3HB   ALA 100           HB3      ALA 100  13.988  11.866  11.866

  Start of MODEL   13
    1   1H    ALA   1           HT1      ALA   1 -18.262  -9.075  -9.075
    2   2H    ALA   1           HT3      ALA   1 -18.218  -7.798  -7.798
    3   3H    ALA   1           HT2      ALA   1 -19.333  -9.063  -9.063
    4    HA   ALA   1           HA       ALA   1 -17.604 -10.623 -10.623
    5   1HB   ALA   1           HB1      ALA   1 -18.107  -8.236  -8.236
    6   2HB   ALA   1           HB3      ALA   1 -16.433  -8.744  -8.744
    7   3HB   ALA   1           HB2      ALA   1 -17.751  -9.865  -9.865
    8    H    ASP   2           HN       ASP   2 -15.677 -11.290 -11.290
    9    HA   ASP   2           HA       ASP   2 -13.599 -11.247 -11.247
   10   1HB   ASP   2           HB2      ASP   2 -12.918 -10.585 -10.585
   11   2HB   ASP   2           HB1      ASP   2 -13.317  -8.908  -8.908
   12    HA   PRO   3           HA       PRO   3 -14.682  -7.540  -7.540
   13   1HB   PRO   3           HB2      PRO   3 -16.235  -8.789  -8.789
   14   2HB   PRO   3           HB1      PRO   3 -16.917  -8.016  -8.016
   15   1HG   PRO   3           HG2      PRO   3 -16.585 -10.921 -10.921
   16   2HG   PRO   3           HG1      PRO   3 -17.760 -10.117 -10.117
   17   1HD   PRO   3           HD2      PRO   3 -15.412 -11.469 -11.469
   18   2HD   PRO   3           HD1      PRO   3 -16.436 -10.407 -10.407
   19    H    GLU   4           HN       GLU   4 -13.243 -10.526 -10.526
   20    HA   GLU   4           HA       GLU   4 -11.758  -9.992  -9.992
   21   1HB   GLU   4           HB2      GLU   4 -13.820 -11.770 -11.770
   22   2HB   GLU   4           HB1      GLU   4 -12.446 -12.798 -12.798
   23   1HG   GLU   4           HG2      GLU   4 -11.695 -11.082 -11.082
   24   2HG   GLU   4           HG1      GLU   4 -13.221 -11.869 -11.869
   25    H    LYS   5           HN       LYS   5 -11.378 -10.344 -10.344
   26    HA   LYS   5           HA       LYS   5  -8.813 -11.807 -11.807
   27   1HB   LYS   5           HB2      LYS   5 -11.036 -12.940 -12.940
   28   2HB   LYS   5           HB1      LYS   5 -10.074 -12.317 -12.317
   29   1HG   LYS   5           HG2      LYS   5  -8.720 -14.108 -14.108
   30   2HG   LYS   5           HG1      LYS   5  -8.238 -13.498 -13.498
   31   1HD   LYS   5           HD2      LYS   5  -9.576 -14.966 -14.966
   32   2HD   LYS   5           HD1      LYS   5 -10.858 -14.877 -14.877
   33   1HE   LYS   5           HE2      LYS   5 -10.087 -16.697 -16.697
   34   2HE   LYS   5           HE1      LYS   5  -8.425 -16.109 -16.109
   35   1HZ   LYS   5           HZ3      LYS   5  -9.576 -17.042 -17.042
   36   2HZ   LYS   5           HZ2      LYS   5  -9.202 -18.224 -18.224
   37   3HZ   LYS   5           HZ1      LYS   5  -7.990 -17.182 -17.182
   38    H    SER   6           HN       SER   6  -9.399  -9.035  -9.035
   39    HA   SER   6           HA       SER   6  -8.348  -8.314  -8.314
   40   1HB   SER   6           HB2      SER   6  -9.603  -6.359  -6.359
   41   2HB   SER   6           HB1      SER   6  -9.453  -6.244  -6.244
   42    HG   SER   6           HG       SER   6 -11.550  -6.978  -6.978
   43    H    TYR   7           HN       TYR   7  -6.194  -7.948  -7.948
   44    HA   TYR   7           HA       TYR   7  -5.171  -6.328  -6.328
   45   1HB   TYR   7           HB2      TYR   7  -3.122  -7.880  -7.880
   46   2HB   TYR   7           HB1      TYR   7  -4.593  -8.522  -8.522
   47    HD1  TYR   7           HD2      TYR   7  -2.406  -8.613  -8.613
   48    HD2  TYR   7           HD1      TYR   7  -5.866 -10.291 -10.291
   49    HE1  TYR   7           HE2      TYR   7  -2.399 -10.483 -10.483
   50    HE2  TYR   7           HE1      TYR   7  -5.860 -12.162 -12.162
   51    HH   TYR   7           HH       TYR   7  -4.505 -12.163 -12.163
   52    H    ALA   8           HN       ALA   8  -3.498  -4.929  -4.929
   53    HA   ALA   8           HA       ALA   8  -2.566  -4.994  -4.994
   54   1HB   ALA   8           HB3      ALA   8  -4.023  -2.953  -2.953
   55   2HB   ALA   8           HB2      ALA   8  -2.363  -2.370  -2.370
   56   3HB   ALA   8           HB1      ALA   8  -3.232  -2.860  -2.860
   57    H    GLU   9           HN       GLU   9  -0.348  -5.232  -5.232
   58    HA   GLU   9           HA       GLU   9   1.289  -4.109  -4.109
   59   1HB   GLU   9           HB2      GLU   9   2.524  -6.168  -6.168
   60   2HB   GLU   9           HB1      GLU   9   0.809  -6.543  -6.543
   61   1HG   GLU   9           HG2      GLU   9   1.477  -8.226  -8.226
   62   2HG   GLU   9           HG1      GLU   9   0.963  -6.981  -6.981
   63    H    GLY  10           HN       GLY  10   3.287  -3.382  -3.382
   64   1HA   GLY  10           HA2      GLY  10   4.476  -4.196  -4.196
   65   2HA   GLY  10           HA1      GLY  10   3.798  -2.575  -2.575
   66    HA   PRO  11           HA       PRO  11   8.043  -2.358  -2.358
   67   1HB   PRO  11           HB2      PRO  11   9.350  -1.300  -1.300
   68   2HB   PRO  11           HB1      PRO  11   9.283  -3.038  -3.038
   69   1HG   PRO  11           HG2      PRO  11   7.811  -1.473  -1.473
   70   2HG   PRO  11           HG1      PRO  11   8.270  -3.184  -3.184
   71   1HD   PRO  11           HD2      PRO  11   5.693  -2.168  -2.168
   72   2HD   PRO  11           HD1      PRO  11   6.255  -3.820  -3.820
   73    H    GLY  12           HN       GLY  12   5.538  -0.575  -0.575
   74   1HA   GLY  12           HA2      GLY  12   6.825   2.057   2.057
   75   2HA   GLY  12           HA1      GLY  12   5.408   1.842   1.842
   76    H    LEU  13           HN       LEU  13   5.503   3.524   3.524
   77    HA   LEU  13           HA       LEU  13   3.809   4.057   4.057
   78   1HB   LEU  13           HB2      LEU  13   1.924   2.880   2.880
   79   2HB   LEU  13           HB1      LEU  13   2.742   1.716   1.716
   80    HG   LEU  13           HG       LEU  13   2.930   1.555   1.555
   81   1HD1  LEU  13          HD12      LEU  13   0.626   1.053   1.053
   82   2HD1  LEU  13          HD11      LEU  13   1.039  -0.283  -0.283
   83   3HD1  LEU  13          HD13      LEU  13   0.694   1.313   1.313
   84   1HD2  LEU  13          HD22      LEU  13   3.045  -0.536  -0.536
   85   2HD2  LEU  13          HD21      LEU  13   4.441   0.114   0.114
   86   3HD2  LEU  13          HD23      LEU  13   3.245  -0.854  -0.854
   87    H    ASP  14           HN       ASP  14   5.931   1.367   1.367
   88    HA   ASP  14           HA       ASP  14   5.882   0.836   0.836
   89   1HB   ASP  14           HB2      ASP  14   8.491   1.254   1.254
   90   2HB   ASP  14           HB1      ASP  14   8.076   0.032   0.032
   91    H    GLY  15           HN       GLY  15   6.811   3.670   3.670
   92   1HA   GLY  15           HA2      GLY  15   7.149   5.846   5.846
   93   2HA   GLY  15           HA1      GLY  15   7.191   5.130   5.130
   94    H    GLY  16           HN       GLY  16   9.040   5.618   5.618
   95   1HA   GLY  16           HA2      GLY  16  11.350   5.735   5.735
   96   2HA   GLY  16           HA1      GLY  16  11.542   4.617   4.617
   97    H    GLU  17           HN       GLU  17  11.098   5.807   5.807
   98    HA   GLU  17           HA       GLU  17  12.463   8.458   8.458
   99   1HB   GLU  17           HB2      GLU  17  13.050   6.112   6.112
  100   2HB   GLU  17           HB1      GLU  17  13.492   7.729   7.729
  101   1HG   GLU  17           HG2      GLU  17  14.723   8.032   8.032
  102   2HG   GLU  17           HG1      GLU  17  14.345   6.362   6.362
  103    H    CYS  18           HN       CYS  18  11.818  10.005  10.005
  104    HA   CYS  18           HA       CYS  18   9.287   9.618   9.618
  105   1HB   CYS  18           HB2      CYS  18  10.881  12.006  12.006
  106   2HB   CYS  18           HB1      CYS  18   9.849  12.165  12.165
  107    HG   CYS  18           HG       CYS  18   7.871  11.207  11.207
  108    H    PHE  19           HN       PHE  19  12.671   9.820   9.820
  109    HA   PHE  19           HA       PHE  19  12.267  10.549  10.549
  110   1HB   PHE  19           HB2      PHE  19  14.707  10.007  10.007
  111   2HB   PHE  19           HB1      PHE  19  14.812  10.194  10.194
  112    HD1  PHE  19           HD1      PHE  19  12.892  11.789  11.789
  113    HD2  PHE  19           HD2      PHE  19  15.346  12.369  12.369
  114    HE1  PHE  19           HE1      PHE  19  12.618  14.232  14.232
  115    HE2  PHE  19           HE2      PHE  19  15.080  14.827  14.827
  116    HZ   PHE  19           HZ       PHE  19  13.699  15.734  15.734
  117    H    GLN  20           HN       GLN  20  11.577   7.870   7.870
  118    HA   GLN  20           HA       GLN  20  12.825   6.046   6.046
  119   1HB   GLN  20           HB2      GLN  20  11.154   5.465   5.465
  120   2HB   GLN  20           HB1      GLN  20  11.851   4.240   4.240
  121   1HG   GLN  20           HG2      GLN  20  13.476   6.337   6.337
  122   2HG   GLN  20           HG1      GLN  20  13.232   4.689   4.689
  123   1HE2  GLN  20          HE22      GLN  20  16.236   5.272   5.272
  124   2HE2  GLN  20          HE21      GLN  20  15.553   6.440   6.440
  125    HA   PRO  21           HA       PRO  21   9.077   6.201   6.201
  126   1HB   PRO  21           HB2      PRO  21   9.112   3.687   3.687
  127   2HB   PRO  21           HB1      PRO  21  10.116   5.037   5.037
  128   1HG   PRO  21           HG2      PRO  21  10.905   2.657   2.657
  129   2HG   PRO  21           HG1      PRO  21  11.870   3.602   3.602
  130   1HD   PRO  21           HD2      PRO  21  12.029   3.835   3.835
  131   2HD   PRO  21           HD1      PRO  21  12.585   5.066   5.066
  132    H    SER  22           HN       SER  22   6.972   5.930   5.930
  133    HA   SER  22           HA       SER  22   6.575   3.712   3.712
  134   1HB   SER  22           HB2      SER  22   6.013   6.391   6.391
  135   2HB   SER  22           HB1      SER  22   4.461   5.681   5.681
  136    HG   SER  22           HG       SER  22   5.901   5.522   5.522
  137    H    LYS  23           HN       LYS  23   5.750   1.939   1.939
  138    HA   LYS  23           HA       LYS  23   3.297   2.274   2.274
  139   1HB   LYS  23           HB2      LYS  23   5.496   0.565   0.565
  140   2HB   LYS  23           HB1      LYS  23   4.105   1.259   1.259
  141   1HG   LYS  23           HG2      LYS  23   5.093   3.531   3.531
  142   2HG   LYS  23           HG1      LYS  23   6.529   2.763   2.763
  143   1HD   LYS  23           HD2      LYS  23   6.715   1.443   1.443
  144   2HD   LYS  23           HD1      LYS  23   5.440   2.467   2.467
  145   1HE   LYS  23           HE2      LYS  23   7.063   4.390   4.390
  146   2HE   LYS  23           HE1      LYS  23   8.270   3.139   3.139
  147   1HZ   LYS  23           HZ2      LYS  23   7.261   2.898   2.898
  148   2HZ   LYS  23           HZ1      LYS  23   6.364   4.307   4.307
  149   3HZ   LYS  23           HZ3      LYS  23   8.059   4.373   4.373
  150    H    PHE  24           HN       PHE  24   1.929   0.578   0.578
  151    HA   PHE  24           HA       PHE  24   3.066  -1.961  -1.961
  152   1HB   PHE  24           HB2      PHE  24   0.647  -1.545  -1.545
  153   2HB   PHE  24           HB1      PHE  24   2.276  -1.727  -1.727
  154    HD1  PHE  24           HD1      PHE  24   3.789   0.450   0.450
  155    HD2  PHE  24           HD2      PHE  24  -0.490   0.395   0.395
  156    HE1  PHE  24           HE1      PHE  24   3.810   2.834   2.834
  157    HE2  PHE  24           HE2      PHE  24  -0.465   2.785   2.785
  158    HZ   PHE  24           HZ       PHE  24   1.696   3.989   3.989
  159    H    LYS  25           HN       LYS  25   1.533  -3.768  -3.768
  160    HA   LYS  25           HA       LYS  25  -0.496  -3.244  -3.244
  161   1HB   LYS  25           HB2      LYS  25   0.770  -5.927  -5.927
  162   2HB   LYS  25           HB1      LYS  25  -0.049  -5.400  -5.400
  163   1HG   LYS  25           HG2      LYS  25   1.890  -3.568  -3.568
  164   2HG   LYS  25           HG1      LYS  25   2.727  -4.818  -4.818
  165   1HD   LYS  25           HD2      LYS  25   1.566  -6.244  -6.244
  166   2HD   LYS  25           HD1      LYS  25   2.071  -4.743  -4.743
  167   1HE   LYS  25           HE2      LYS  25   4.201  -5.461  -5.461
  168   2HE   LYS  25           HE1      LYS  25   4.164  -5.554  -5.554
  169   1HZ   LYS  25           HZ2      LYS  25   2.825  -7.707  -7.707
  170   2HZ   LYS  25           HZ1      LYS  25   4.517  -7.667  -7.667
  171   3HZ   LYS  25           HZ3      LYS  25   3.805  -7.760  -7.760
  172    H    ILE  26           HN       ILE  26  -2.580  -4.035  -4.035
  173    HA   ILE  26           HA       ILE  26  -3.014  -5.144  -5.144
  174    HB   ILE  26           HB       ILE  26  -5.140  -3.842  -3.842
  175   1HG1  ILE  26          HG12      ILE  26  -2.827  -2.607  -2.607
  176   2HG1  ILE  26          HG11      ILE  26  -3.590  -2.102  -2.102
  177   1HG2  ILE  26          HG23      ILE  26  -4.640  -4.189  -4.189
  178   2HG2  ILE  26          HG22      ILE  26  -5.991  -3.282  -3.282
  179   3HG2  ILE  26          HG21      ILE  26  -5.863  -5.018  -5.018
  180   1HD1  ILE  26          HD11      ILE  26  -5.640  -1.826  -1.826
  181   2HD1  ILE  26          HD13      ILE  26  -4.225  -1.346  -1.346
  182   3HD1  ILE  26          HD12      ILE  26  -4.605  -0.519  -0.519
  183    H    HIS  27           HN       HIS  27  -4.534  -6.799  -6.799
  184    HA   HIS  27           HA       HIS  27  -5.466  -8.186  -8.186
  185   1HB   HIS  27           HB2      HIS  27  -4.189  -9.722  -9.722
  186   2HB   HIS  27           HB1      HIS  27  -4.518 -10.267 -10.267
  187    HD1  HIS  27           HD1      HIS  27  -2.544  -7.406  -7.406
  188    HD2  HIS  27           HD2      HIS  27  -2.202 -10.211 -10.211
  189    HE1  HIS  27           HE1      HIS  27  -0.333  -6.971  -6.971
  190    H    ALA  28           HN       ALA  28  -7.599  -8.459  -8.459
  191    HA   ALA  28           HA       ALA  28  -8.703  -8.743  -8.743
  192   1HB   ALA  28           HB2      ALA  28  -9.677  -7.566  -7.566
  193   2HB   ALA  28           HB1      ALA  28 -10.882  -8.456  -8.456
  194   3HB   ALA  28           HB3      ALA  28 -10.027  -7.101  -7.101
  195    H    VAL  29           HN       VAL  29  -9.852 -10.596 -10.596
  196    HA   VAL  29           HA       VAL  29 -10.274 -12.626 -12.626
  197    HB   VAL  29           HB       VAL  29  -8.838 -12.917 -12.917
  198   1HG1  VAL  29          HG12      VAL  29 -10.694 -14.964 -14.964
  199   2HG1  VAL  29          HG11      VAL  29  -9.300 -15.454 -15.454
  200   3HG1  VAL  29          HG13      VAL  29 -10.572 -14.473 -14.473
  201   1HG2  VAL  29          HG23      VAL  29  -8.582 -13.842 -13.842
  202   2HG2  VAL  29          HG22      VAL  29  -7.402 -13.002 -13.002
  203   3HG2  VAL  29          HG21      VAL  29  -7.736 -14.711 -14.711
  204    H    ASP  30           HN       ASP  30 -12.317 -13.345 -13.345
  205    HA   ASP  30           HA       ASP  30 -14.124 -12.617 -12.617
  206   1HB   ASP  30           HB2      ASP  30 -15.807 -12.310 -12.310
  207   2HB   ASP  30           HB1      ASP  30 -14.404 -11.874 -11.874
  208    HA   PRO  31           HA       PRO  31 -15.092 -16.851 -16.851
  209   1HB   PRO  31           HB2      PRO  31 -17.807 -17.137 -17.137
  210   2HB   PRO  31           HB1      PRO  31 -17.057 -16.309 -16.309
  211   1HG   PRO  31           HG2      PRO  31 -18.495 -15.143 -15.143
  212   2HG   PRO  31           HG1      PRO  31 -18.247 -14.467 -14.467
  213   1HD   PRO  31           HD2      PRO  31 -16.824 -13.775 -13.775
  214   2HD   PRO  31           HD1      PRO  31 -16.412 -13.283 -13.283
  215    H    ASP  32           HN       ASP  32 -14.852 -16.012 -16.012
  216    HA   ASP  32           HA       ASP  32 -15.967 -18.615 -18.615
  217   1HB   ASP  32           HB2      ASP  32 -15.598 -15.966 -15.966
  218   2HB   ASP  32           HB1      ASP  32 -15.944 -17.476 -17.476
  219    H    GLY  33           HN       GLY  33 -13.201 -17.456 -17.456
  220   1HA   GLY  33           HA2      GLY  33 -10.961 -18.110 -18.110
  221   2HA   GLY  33           HA1      GLY  33 -11.550 -19.207 -19.207
  222    H    VAL  34           HN       VAL  34 -12.348 -15.831 -15.831
  223    HA   VAL  34           HA       VAL  34 -10.506 -15.151 -15.151
  224    HB   VAL  34           HB       VAL  34 -13.336 -14.305 -14.305
  225   1HG1  VAL  34          HG11      VAL  34 -11.105 -14.085 -14.085
  226   2HG1  VAL  34          HG13      VAL  34 -11.727 -15.607 -15.607
  227   3HG1  VAL  34          HG12      VAL  34 -12.720 -14.150 -14.150
  228   1HG2  VAL  34          HG21      VAL  34 -12.416 -17.174 -17.174
  229   2HG2  VAL  34          HG23      VAL  34 -13.828 -16.567 -16.567
  230   3HG2  VAL  34          HG22      VAL  34 -13.791 -16.533 -16.533
  231    H    HIS  35           HN       HIS  35 -11.042 -12.684 -12.684
  232    HA   HIS  35           HA       HIS  35 -11.032 -11.263 -11.263
  233   1HB   HIS  35           HB2      HIS  35 -10.599 -10.120 -10.120
  234   2HB   HIS  35           HB1      HIS  35 -10.191  -9.359  -9.359
  235    HD1  HIS  35           HD1      HIS  35  -7.676  -9.386  -9.386
  236    HD2  HIS  35           HD2      HIS  35  -9.216 -13.031 -13.031
  237    HE1  HIS  35           HE1      HIS  35  -5.702 -10.948 -10.948
  238    H    ARG  36           HN       ARG  36 -13.394 -12.032 -12.032
  239    HA   ARG  36           HA       ARG  36 -15.678 -11.631 -11.631
  240   1HB   ARG  36           HB2      ARG  36 -16.315  -9.237  -9.237
  241   2HB   ARG  36           HB1      ARG  36 -15.122  -9.756  -9.756
  242   1HG   ARG  36           HG2      ARG  36 -13.343  -8.663  -8.663
  243   2HG   ARG  36           HG1      ARG  36 -14.378  -8.362  -8.362
  244   1HD   ARG  36           HD2      ARG  36 -14.720  -7.173  -7.173
  245   2HD   ARG  36           HD1      ARG  36 -14.186  -6.316  -6.316
  246    HE   ARG  36           HE       ARG  36 -16.486  -6.848  -6.848
  247   1HH1  ARG  36          HH21      ARG  36 -15.832  -5.841  -5.841
  248   2HH1  ARG  36          HH22      ARG  36 -17.467  -5.967  -5.967
  249   1HH2  ARG  36          HH11      ARG  36 -18.621  -7.450  -7.450
  250   2HH2  ARG  36          HH12      ARG  36 -19.047  -6.878  -6.878
  251    H    THR  37           HN       THR  37 -15.335 -12.597 -12.597
  252    HA   THR  37           HA       THR  37 -15.627 -12.499 -12.499
  253    HB   THR  37           HB       THR  37 -17.435 -10.155 -10.155
  254    HG1  THR  37           HG1      THR  37 -17.976 -11.684 -11.684
  255   1HG2  THR  37          HG22      THR  37 -16.866 -11.353 -11.353
  256   2HG2  THR  37          HG21      THR  37 -18.192 -12.378 -12.378
  257   3HG2  THR  37          HG23      THR  37 -18.439 -10.641 -10.641
  258    H    ASP  38           HN       ASP  38 -13.438 -11.698 -11.698
  259    HA   ASP  38           HA       ASP  38 -12.479  -9.105  -9.105
  260   1HB   ASP  38           HB2      ASP  38 -11.522 -11.364 -11.364
  261   2HB   ASP  38           HB1      ASP  38 -11.950 -10.477 -10.477
  262    H    GLY  39           HN       GLY  39 -12.145  -7.585  -7.585
  263   1HA   GLY  39           HA2      GLY  39 -13.082  -6.429  -6.429
  264   2HA   GLY  39           HA1      GLY  39 -14.480  -7.503  -7.503
  265    H    GLY  40           HN       GLY  40 -15.074  -7.128  -7.128
  266   1HA   GLY  40           HA2      GLY  40 -15.626  -4.208  -4.208
  267   2HA   GLY  40           HA1      GLY  40 -16.980  -5.331  -5.331
  268    H    ASP  41           HN       ASP  41 -13.731  -4.976  -4.976
  269    HA   ASP  41           HA       ASP  41 -14.845  -6.098  -6.098
  270   1HB   ASP  41           HB2      ASP  41 -12.048  -5.176  -5.176
  271   2HB   ASP  41           HB1      ASP  41 -12.478  -5.851  -5.851
  272    H    GLY  42           HN       GLY  42 -15.653  -4.777  -4.777
  273   1HA   GLY  42           HA2      GLY  42 -15.635  -1.906  -1.906
  274   2HA   GLY  42           HA1      GLY  42 -16.193  -2.793  -2.793
  275    H    PHE  43           HN       PHE  43 -13.102  -2.191  -2.191
  276    HA   PHE  43           HA       PHE  43 -11.761  -2.096  -2.096
  277   1HB   PHE  43           HB2      PHE  43 -11.075  -3.162  -3.162
  278   2HB   PHE  43           HB1      PHE  43  -9.972  -1.821  -1.821
  279    HD1  PHE  43           HD2      PHE  43  -9.941  -1.979  -1.979
  280    HD2  PHE  43           HD1      PHE  43  -9.599  -4.990  -4.990
  281    HE1  PHE  43           HE2      PHE  43  -8.624  -3.408  -3.408
  282    HE2  PHE  43           HE1      PHE  43  -8.273  -6.404  -6.404
  283    HZ   PHE  43           HZ       PHE  43  -7.789  -5.616  -5.616
  284    H    VAL  44           HN       VAL  44 -11.736  -0.055  -0.055
  285    HA   VAL  44           HA       VAL  44 -11.025   2.155   2.155
  286    HB   VAL  44           HB       VAL  44 -12.965   3.110   3.110
  287   1HG1  VAL  44          HG12      VAL  44 -12.891   0.958   0.958
  288   2HG1  VAL  44          HG11      VAL  44 -13.954   2.334   2.334
  289   3HG1  VAL  44          HG13      VAL  44 -14.141   1.343   1.343
  290   1HG2  VAL  44          HG22      VAL  44 -11.169   4.329   4.329
  291   2HG2  VAL  44          HG21      VAL  44 -12.807   4.469   4.469
  292   3HG2  VAL  44          HG23      VAL  44 -11.661   3.359   3.359
  293    H    VAL  45           HN       VAL  45  -8.931   2.669   2.669
  294    HA   VAL  45           HA       VAL  45  -7.854   2.528   2.528
  295    HB   VAL  45           HB       VAL  45  -6.137   2.366   2.366
  296   1HG1  VAL  45          HG11      VAL  45  -5.918   1.621   1.621
  297   2HG1  VAL  45          HG13      VAL  45  -4.847   0.895   0.895
  298   3HG1  VAL  45          HG12      VAL  45  -4.846   2.641   2.641
  299   1HG2  VAL  45          HG21      VAL  45  -8.148   0.474   0.474
  300   2HG2  VAL  45          HG23      VAL  45  -6.933   0.343   0.343
  301   3HG2  VAL  45          HG22      VAL  45  -6.578  -0.235  -0.235
  302    H    THR  46           HN       THR  46  -6.375   4.213   4.213
  303    HA   THR  46           HA       THR  46  -5.906   6.402   6.402
  304    HB   THR  46           HB       THR  46  -7.093   7.847   7.847
  305    HG1  THR  46           HG1      THR  46  -8.787   6.786   6.786
  306   1HG2  THR  46          HG23      THR  46  -7.148   8.151   8.151
  307   2HG2  THR  46          HG22      THR  46  -8.461   6.974   6.974
  308   3HG2  THR  46          HG21      THR  46  -8.663   8.499   8.499
  309    H    ILE  47           HN       ILE  47  -4.007   7.265   7.265
  310    HA   ILE  47           HA       ILE  47  -3.025   7.133   7.133
  311    HB   ILE  47           HB       ILE  47  -1.606   6.625   6.625
  312   1HG1  ILE  47          HG12      ILE  47  -2.134   5.220   5.220
  313   2HG1  ILE  47          HG11      ILE  47  -1.722   4.561   4.561
  314   1HG2  ILE  47          HG22      ILE  47  -0.307   7.689   7.689
  315   2HG2  ILE  47          HG21      ILE  47   0.570   7.034   7.034
  316   3HG2  ILE  47          HG23      ILE  47  -0.373   8.509   8.509
  317   1HD1  ILE  47          HD12      ILE  47   0.660   5.438   5.438
  318   2HD1  ILE  47          HD11      ILE  47   0.151   5.599   5.599
  319   3HD1  ILE  47          HD13      ILE  47   0.149   4.015   4.015
  320    H    GLU  48           HN       GLU  48  -1.652   8.926   8.926
  321    HA   GLU  48           HA       GLU  48  -1.164  11.079  11.079
  322   1HB   GLU  48           HB2      GLU  48  -2.726  12.690  12.690
  323   2HB   GLU  48           HB1      GLU  48  -3.337  11.863  11.863
  324   1HG   GLU  48           HG2      GLU  48  -4.701  10.521  10.521
  325   2HG   GLU  48           HG1      GLU  48  -3.465  10.230  10.230
  326    H    GLY  49           HN       GLY  49  -0.065  12.845  12.845
  327   1HA   GLY  49           HA2      GLY  49   0.572  12.860  12.860
  328   2HA   GLY  49           HA1      GLY  49   1.914  12.333  12.333
  329    HA   PRO  50           HA       PRO  50   1.874  16.971  16.971
  330   1HB   PRO  50           HB2      PRO  50   4.438  17.258  17.258
  331   2HB   PRO  50           HB1      PRO  50   3.014  17.147  17.147
  332   1HG   PRO  50           HG2      PRO  50   5.100  15.091  15.091
  333   2HG   PRO  50           HG1      PRO  50   4.083  15.294  15.294
  334   1HD   PRO  50           HD2      PRO  50   3.678  13.398  13.398
  335   2HD   PRO  50           HD1      PRO  50   2.500  13.841  13.841
  336    H    ALA  51           HN       ALA  51   1.933  16.103  16.103
  337    HA   ALA  51           HA       ALA  51   4.429  17.075  17.075
  338   1HB   ALA  51           HB2      ALA  51   4.052  14.308  14.308
  339   2HB   ALA  51           HB1      ALA  51   3.700  14.593  14.593
  340   3HB   ALA  51           HB3      ALA  51   5.258  15.074  15.074
  341    HA   PRO  52           HA       PRO  52   1.702  18.189  18.189
  342   1HB   PRO  52           HB2      PRO  52   3.095  17.535  17.535
  343   2HB   PRO  52           HB1      PRO  52   3.510  18.905  18.905
  344   1HG   PRO  52           HG2      PRO  52   4.882  16.271  16.271
  345   2HG   PRO  52           HG1      PRO  52   5.547  17.834  17.834
  346   1HD   PRO  52           HD2      PRO  52   4.858  15.698  15.698
  347   2HD   PRO  52           HD1      PRO  52   5.206  17.368  17.368
  348    H    VAL  53           HN       VAL  53   3.144  15.016  15.016
  349    HA   VAL  53           HA       VAL  53   0.575  14.192  14.192
  350    HB   VAL  53           HB       VAL  53   3.092  12.534  12.534
  351   1HG1  VAL  53          HG11      VAL  53   0.507  12.227  12.227
  352   2HG1  VAL  53          HG13      VAL  53   1.674  12.386  12.386
  353   3HG1  VAL  53          HG12      VAL  53   1.881  11.125  11.125
  354   1HG2  VAL  53          HG22      VAL  53   2.506  14.950  14.950
  355   2HG2  VAL  53          HG21      VAL  53   4.047  14.377  14.377
  356   3HG2  VAL  53          HG23      VAL  53   3.336  13.599  13.599
  357    H    ASP  54           HN       ASP  54  -0.451  14.171  14.171
  358    HA   ASP  54           HA       ASP  54   0.502  11.987  11.987
  359   1HB   ASP  54           HB2      ASP  54  -1.675  14.060  14.060
  360   2HB   ASP  54           HB1      ASP  54  -1.310  12.816  12.816
  361    HA   PRO  55           HA       PRO  55  -3.827  10.319  10.319
  362   1HB   PRO  55           HB2      PRO  55  -5.196  11.553  11.553
  363   2HB   PRO  55           HB1      PRO  55  -5.334  12.035  12.035
  364   1HG   PRO  55           HG2      PRO  55  -3.928  13.416  13.416
  365   2HG   PRO  55           HG1      PRO  55  -4.573  14.089  14.089
  366   1HD   PRO  55           HD2      PRO  55  -1.843  13.485  13.485
  367   2HD   PRO  55           HD1      PRO  55  -2.532  13.952  13.952
  368    H    VAL  56           HN       VAL  56  -2.510   8.590   8.590
  369    HA   VAL  56           HA       VAL  56  -2.555   8.601   8.601
  370    HB   VAL  56           HB       VAL  56  -0.342   7.460   7.460
  371   1HG1  VAL  56          HG11      VAL  56  -0.969   7.773   7.773
  372   2HG1  VAL  56          HG13      VAL  56   0.714   8.004   8.004
  373   3HG1  VAL  56          HG12      VAL  56  -0.099   6.481   6.481
  374   1HG2  VAL  56          HG22      VAL  56  -0.791  10.110  10.110
  375   2HG2  VAL  56          HG21      VAL  56   0.842   9.451   9.451
  376   3HG2  VAL  56          HG23      VAL  56   0.038   9.982   9.982
  377    H    MET  57           HN       MET  57  -4.307   7.076   7.076
  378    HA   MET  57           HA       MET  57  -3.424   4.367   4.367
  379   1HB   MET  57           HB2      MET  57  -5.492   3.825   3.825
  380   2HB   MET  57           HB1      MET  57  -4.887   5.313   5.313
  381   1HG   MET  57           HG2      MET  57  -7.108   5.894   5.894
  382   2HG   MET  57           HG1      MET  57  -6.343   6.463   6.463
  383   1HE   MET  57           HE2      MET  57  -7.277   3.454   3.454
  384   2HE   MET  57           HE1      MET  57  -8.754   2.868   2.868
  385   3HE   MET  57           HE3      MET  57  -7.178   2.278   2.278
  386    H    VAL  58           HN       VAL  58  -3.913   2.819   2.819
  387    HA   VAL  58           HA       VAL  58  -5.889   3.508   3.508
  388    HB   VAL  58           HB       VAL  58  -3.581   1.871   1.871
  389   1HG1  VAL  58          HG11      VAL  58  -5.577   3.711   3.711
  390   2HG1  VAL  58          HG13      VAL  58  -3.962   4.006   4.006
  391   3HG1  VAL  58          HG12      VAL  58  -4.696   2.410   2.410
  392   1HG2  VAL  58          HG21      VAL  58  -2.493   3.608   3.608
  393   2HG2  VAL  58          HG23      VAL  58  -2.080   3.787   3.787
  394   3HG2  VAL  58          HG22      VAL  58  -3.275   4.857   4.857
  395    H    ASP  59           HN       ASP  59  -6.799   1.618   1.618
  396    HA   ASP  59           HA       ASP  59  -6.680  -0.841  -0.841
  397   1HB   ASP  59           HB2      ASP  59  -8.884   0.031   0.031
  398   2HB   ASP  59           HB1      ASP  59  -8.924   0.433   0.433
  399    H    ASN  60           HN       ASN  60  -5.991  -2.692  -2.692
  400    HA   ASN  60           HA       ASN  60  -5.323  -2.508  -2.508
  401   1HB   ASN  60           HB2      ASN  60  -4.099  -3.717  -3.717
  402   2HB   ASN  60           HB1      ASN  60  -4.828  -5.078  -5.078
  403   1HD2  ASN  60          HD22      ASN  60  -1.824  -2.945  -2.945
  404   2HD2  ASN  60          HD21      ASN  60  -2.617  -2.300  -2.300
  405    H    GLY  61           HN       GLY  61  -7.931  -3.740  -3.740
  406   1HA   GLY  61           HA2      GLY  61  -9.889  -4.752  -4.752
  407   2HA   GLY  61           HA1      GLY  61  -9.136  -4.810  -4.810
  408    H    ASP  62           HN       ASP  62  -6.835  -6.125  -6.125
  409    HA   ASP  62           HA       ASP  62  -7.773  -8.874  -8.874
  410   1HB   ASP  62           HB2      ASP  62  -5.422  -9.521  -9.521
  411   2HB   ASP  62           HB1      ASP  62  -5.525  -8.230  -8.230
  412    H    GLY  63           HN       GLY  63  -8.926  -7.420  -7.420
  413   1HA   GLY  63           HA2      GLY  63  -9.586  -7.997  -7.997
  414   2HA   GLY  63           HA1      GLY  63  -8.623  -9.466  -9.466
  415    H    THR  64           HN       THR  64  -6.581  -7.004  -7.004
  416    HA   THR  64           HA       THR  64  -5.735  -6.581  -6.581
  417    HB   THR  64           HB       THR  64  -3.415  -6.784  -6.784
  418    HG1  THR  64           HG1      THR  64  -3.434  -6.122  -6.122
  419   1HG2  THR  64          HG22      THR  64  -5.342  -8.907  -8.907
  420   2HG2  THR  64          HG21      THR  64  -4.074  -9.252  -9.252
  421   3HG2  THR  64          HG23      THR  64  -3.655  -8.973  -8.973
  422    H    TYR  65           HN       TYR  65  -4.730  -4.539  -4.539
  423    HA   TYR  65           HA       TYR  65  -5.019  -2.580  -2.580
  424   1HB   TYR  65           HB2      TYR  65  -5.709  -2.233  -2.233
  425   2HB   TYR  65           HB1      TYR  65  -5.697  -0.917  -0.917
  426    HD1  TYR  65           HD1      TYR  65  -6.968  -4.445  -4.445
  427    HD2  TYR  65           HD2      TYR  65  -7.721  -0.415  -0.415
  428    HE1  TYR  65           HE1      TYR  65  -9.168  -5.130  -5.130
  429    HE2  TYR  65           HE2      TYR  65  -9.938  -1.095  -1.095
  430    HH   TYR  65           HH       TYR  65 -10.848  -4.394  -4.394
  431    H    ASP  66           HN       ASP  66  -3.573  -0.744  -0.744
  432    HA   ASP  66           HA       ASP  66  -1.173  -1.190  -1.190
  433   1HB   ASP  66           HB2      ASP  66  -0.589  -1.918  -1.918
  434   2HB   ASP  66           HB1      ASP  66  -1.259  -0.443  -0.443
  435    H    VAL  67           HN       VAL  67  -0.730   0.581   0.581
  436    HA   VAL  67           HA       VAL  67  -1.718   3.205   3.205
  437    HB   VAL  67           HB       VAL  67  -2.284   3.832   3.832
  438   1HG1  VAL  67          HG11      VAL  67  -3.790   2.093   2.093
  439   2HG1  VAL  67          HG13      VAL  67  -2.898   0.868   0.868
  440   3HG1  VAL  67          HG12      VAL  67  -3.825   2.099   2.099
  441   1HG2  VAL  67          HG22      VAL  67  -0.599   1.486   1.486
  442   2HG2  VAL  67          HG21      VAL  67  -0.420   3.176   3.176
  443   3HG2  VAL  67          HG23      VAL  67  -1.754   2.216   2.216
  444    H    GLU  68           HN       GLU  68  -0.207   5.037   5.037
  445    HA   GLU  68           HA       GLU  68   2.428   4.359   4.359
  446   1HB   GLU  68           HB2      GLU  68   2.415   5.430   5.430
  447   2HB   GLU  68           HB1      GLU  68   3.694   4.564   4.564
  448   1HG   GLU  68           HG2      GLU  68   2.428   2.481   2.481
  449   2HG   GLU  68           HG1      GLU  68   1.045   3.331   3.331
  450    H    PHE  69           HN       PHE  69   3.242   6.115   6.115
  451    HA   PHE  69           HA       PHE  69   2.734   8.784   8.784
  452   1HB   PHE  69           HB2      PHE  69   2.265   9.837   9.837
  453   2HB   PHE  69           HB1      PHE  69   1.121   8.517   8.517
  454    HD1  PHE  69           HD2      PHE  69   2.216   6.133   6.133
  455    HD2  PHE  69           HD1      PHE  69   3.176  10.052  10.052
  456    HE1  PHE  69           HE2      PHE  69   3.016   5.156   5.156
  457    HE2  PHE  69           HE1      PHE  69   3.967   9.066   9.066
  458    HZ   PHE  69           HZ       PHE  69   3.875   6.601   6.601
  459    H    GLU  70           HN       GLU  70   4.506  10.339  10.339
  460    HA   GLU  70           HA       GLU  70   6.833   9.094   9.094
  461   1HB   GLU  70           HB2      GLU  70   8.309   9.357   9.357
  462   2HB   GLU  70           HB1      GLU  70   6.903   8.443   8.443
  463   1HG   GLU  70           HG2      GLU  70   6.056  10.985  10.985
  464   2HG   GLU  70           HG1      GLU  70   7.788  11.160  11.160
  465    HA   PRO  71           HA       PRO  71   6.695  13.521  13.521
  466   1HB   PRO  71           HB2      PRO  71   7.640  13.138  13.138
  467   2HB   PRO  71           HB1      PRO  71   5.933  12.968  12.968
  468   1HG   PRO  71           HG2      PRO  71   7.930  10.844  10.844
  469   2HG   PRO  71           HG1      PRO  71   6.166  10.800  10.800
  470   1HD   PRO  71           HD2      PRO  71   7.712   9.650   9.650
  471   2HD   PRO  71           HD1      PRO  71   5.947   9.852   9.852
  472    H    LYS  72           HN       LYS  72   8.487  14.940  14.940
  473    HA   LYS  72           HA       LYS  72  11.241  13.902  13.902
  474   1HB   LYS  72           HB2      LYS  72  10.355  16.653  16.653
  475   2HB   LYS  72           HB1      LYS  72  11.824  15.789  15.789
  476   1HG   LYS  72           HG2      LYS  72  10.704  15.144  15.144
  477   2HG   LYS  72           HG1      LYS  72   9.799  14.064  14.064
  478   1HD   LYS  72           HD2      LYS  72   8.034  15.646  15.646
  479   2HD   LYS  72           HD1      LYS  72   8.993  16.945  16.945
  480   1HE   LYS  72           HE2      LYS  72   8.034  14.466  14.466
  481   2HE   LYS  72           HE1      LYS  72   7.333  16.076  16.076
  482   1HZ   LYS  72           HZ3      LYS  72   9.794  16.707  16.707
  483   2HZ   LYS  72           HZ2      LYS  72   9.910  15.070  15.070
  484   3HZ   LYS  72           HZ1      LYS  72   8.782  16.079  16.079
  485    H    GLU  73           HN       GLU  73   9.724  14.532  14.532
  486    HA   GLU  73           HA       GLU  73  11.844  16.168  16.168
  487   1HB   GLU  73           HB2      GLU  73  10.328  17.804  17.804
  488   2HB   GLU  73           HB1      GLU  73  10.097  17.811  17.811
  489   1HG   GLU  73           HG2      GLU  73   7.970  17.054  17.054
  490   2HG   GLU  73           HG1      GLU  73   8.395  15.861  15.861
  491    H    ALA  74           HN       ALA  74  10.462  16.524  16.524
  492    HA   ALA  74           HA       ALA  74  10.401  13.717  13.717
  493   1HB   ALA  74           HB2      ALA  74  11.333  16.120  16.120
  494   2HB   ALA  74           HB1      ALA  74   9.872  15.728  15.728
  495   3HB   ALA  74           HB3      ALA  74  11.192  14.561  14.561
  496    H    GLY  75           HN       GLY  75   8.423  12.723  12.723
  497   1HA   GLY  75           HA2      GLY  75   6.052  14.273  14.273
  498   2HA   GLY  75           HA1      GLY  75   6.043  13.708  13.708
  499    H    ASP  76           HN       ASP  76   4.119  12.903  12.903
  500    HA   ASP  76           HA       ASP  76   4.828  10.039  10.039
  501   1HB   ASP  76           HB2      ASP  76   2.662  10.245  10.245
  502   2HB   ASP  76           HB1      ASP  76   4.180  10.890  10.890
  503    H    TYR  77           HN       TYR  77   3.123   8.510   8.510
  504    HA   TYR  77           HA       TYR  77   1.486   9.513   9.513
  505   1HB   TYR  77           HB2      TYR  77   2.226   6.639   6.639
  506   2HB   TYR  77           HB1      TYR  77   1.636   7.364   7.364
  507    HD1  TYR  77           HD1      TYR  77   3.404   9.900   9.900
  508    HD2  TYR  77           HD2      TYR  77   4.187   5.690   5.690
  509    HE1  TYR  77           HE1      TYR  77   5.714  10.296  10.296
  510    HE2  TYR  77           HE2      TYR  77   6.492   6.073   6.073
  511    HH   TYR  77           HH       TYR  77   7.627   9.354   9.354
  512    H    VAL  78           HN       VAL  78  -0.625   9.089   9.089
  513    HA   VAL  78           HA       VAL  78  -1.776   7.469   7.469
  514    HB   VAL  78           HB       VAL  78  -2.594   9.626   9.626
  515   1HG1  VAL  78          HG12      VAL  78  -2.347   9.890   9.890
  516   2HG1  VAL  78          HG11      VAL  78  -3.708  10.755  10.755
  517   3HG1  VAL  78          HG13      VAL  78  -2.065  11.086  11.086
  518   1HG2  VAL  78          HG23      VAL  78  -4.566   8.247   8.247
  519   2HG2  VAL  78          HG22      VAL  78  -4.414   8.022   8.022
  520   3HG2  VAL  78          HG21      VAL  78  -4.979   9.564   9.564
  521    H    ILE  79           HN       ILE  79  -2.817   5.715   5.715
  522    HA   ILE  79           HA       ILE  79  -3.262   5.545   5.545
  523    HB   ILE  79           HB       ILE  79  -3.400   2.976   2.976
  524   1HG1  ILE  79          HG12      ILE  79  -1.975   4.049   4.049
  525   2HG1  ILE  79          HG11      ILE  79  -1.083   2.836   2.836
  526   1HG2  ILE  79          HG23      ILE  79  -2.870   3.569   3.569
  527   2HG2  ILE  79          HG22      ILE  79  -1.287   4.114   4.114
  528   3HG2  ILE  79          HG21      ILE  79  -1.751   2.421   2.421
  529   1HD1  ILE  79          HD11      ILE  79  -0.983   5.526   5.526
  530   2HD1  ILE  79          HD13      ILE  79  -0.242   5.426   5.426
  531   3HD1  ILE  79          HD12      ILE  79   0.322   4.377   4.377
  532    H    ASN  80           HN       ASN  80  -4.940   4.316   4.316
  533    HA   ASN  80           HA       ASN  80  -7.251   3.761   3.761
  534   1HB   ASN  80           HB2      ASN  80  -7.642   5.506   5.506
  535   2HB   ASN  80           HB1      ASN  80  -8.737   5.222   5.222
  536   1HD2  ASN  80          HD22      ASN  80  -7.445   7.837   7.837
  537   2HD2  ASN  80          HD21      ASN  80  -8.629   6.634   6.634
  538    H    LEU  81           HN       LEU  81  -7.676   1.747   1.747
  539    HA   LEU  81           HA       LEU  81  -7.763   1.088   1.088
  540   1HB   LEU  81           HB2      LEU  81  -5.629   0.215   0.215
  541   2HB   LEU  81           HB1      LEU  81  -6.398  -0.484  -0.484
  542    HG   LEU  81           HG       LEU  81  -5.820  -1.965  -1.965
  543   1HD1  LEU  81          HD13      LEU  81  -7.300  -2.273  -2.273
  544   2HD1  LEU  81          HD12      LEU  81  -8.530  -2.544  -2.544
  545   3HD1  LEU  81          HD11      LEU  81  -7.075  -3.538  -3.538
  546   1HD2  LEU  81          HD21      LEU  81  -7.537  -0.275  -0.275
  547   2HD2  LEU  81          HD23      LEU  81  -7.322  -1.950  -1.950
  548   3HD2  LEU  81          HD22      LEU  81  -8.671  -1.505  -1.505
  549    H    THR  82           HN       THR  82  -9.852   0.481   0.481
  550    HA   THR  82           HA       THR  82 -11.187  -1.011  -1.011
  551    HB   THR  82           HB       THR  82 -13.284   0.288   0.288
  552    HG1  THR  82           HG1      THR  82 -11.467   1.234   1.234
  553   1HG2  THR  82          HG23      THR  82 -11.147   0.947   0.947
  554   2HG2  THR  82          HG22      THR  82 -12.023   2.374   2.374
  555   3HG2  THR  82          HG21      THR  82 -12.893   1.046   1.046
  556    H    LEU  83           HN       LEU  83 -12.388  -2.745  -2.745
  557    HA   LEU  83           HA       LEU  83 -13.250  -3.141  -3.141
  558   1HB   LEU  83           HB2      LEU  83 -11.041  -4.347  -4.347
  559   2HB   LEU  83           HB1      LEU  83 -11.919  -5.382  -5.382
  560    HG   LEU  83           HG       LEU  83 -11.653  -6.213  -6.213
  561   1HD1  LEU  83          HD11      LEU  83 -13.274  -7.077  -7.077
  562   2HD1  LEU  83          HD13      LEU  83 -14.497  -6.050  -6.050
  563   3HD1  LEU  83          HD12      LEU  83 -13.750  -7.350  -7.350
  564   1HD2  LEU  83          HD22      LEU  83 -12.485  -3.842  -3.842
  565   2HD2  LEU  83          HD21      LEU  83 -13.014  -5.278  -5.278
  566   3HD2  LEU  83          HD23      LEU  83 -14.089  -4.514  -4.514
  567    H    ASP  84           HN       ASP  84 -15.289  -2.539  -2.539
  568    HA   ASP  84           HA       ASP  84 -17.300  -4.191  -4.191
  569   1HB   ASP  84           HB2      ASP  84 -15.562  -4.919  -4.919
  570   2HB   ASP  84           HB1      ASP  84 -17.316  -5.038  -5.038
  571    H    GLY  85           HN       GLY  85 -15.544  -1.782  -1.782
  572   1HA   GLY  85           HA2      GLY  85 -17.014   0.319   0.319
  573   2HA   GLY  85           HA1      GLY  85 -18.052  -0.735  -0.735
  574    H    ASP  86           HN       ASP  86 -14.878  -1.741  -1.741
  575    HA   ASP  86           HA       ASP  86 -14.524   0.154   0.154
  576   1HB   ASP  86           HB2      ASP  86 -14.409  -2.870  -2.870
  577   2HB   ASP  86           HB1      ASP  86 -13.600  -1.901  -1.901
  578    H    ASN  87           HN       ASN  87 -12.117  -0.189  -0.189
  579    HA   ASN  87           HA       ASN  87 -10.440  -0.356  -0.356
  580   1HB   ASN  87           HB2      ASN  87  -8.800   0.739   0.739
  581   2HB   ASN  87           HB1      ASN  87  -9.771   1.677   1.677
  582   1HD2  ASN  87          HD22      ASN  87 -11.236   1.222   1.222
  583   2HD2  ASN  87          HD21      ASN  87 -10.319  -0.033  -0.033
  584    H    VAL  88           HN       VAL  88  -8.355  -1.439  -1.439
  585    HA   VAL  88           HA       VAL  88  -8.555  -3.920  -3.920
  586    HB   VAL  88           HB       VAL  88  -6.446  -2.577  -2.577
  587   1HG1  VAL  88          HG12      VAL  88  -5.227  -3.615  -3.615
  588   2HG1  VAL  88          HG11      VAL  88  -5.997  -5.153  -5.153
  589   3HG1  VAL  88          HG13      VAL  88  -4.883  -4.412  -4.412
  590   1HG2  VAL  88          HG23      VAL  88  -8.313  -3.880  -3.880
  591   2HG2  VAL  88          HG22      VAL  88  -6.750  -4.629  -4.629
  592   3HG2  VAL  88          HG21      VAL  88  -7.797  -5.285  -5.285
  593    H    ASN  89           HN       ASN  89  -6.667  -4.653  -4.653
  594    HA   ASN  89           HA       ASN  89  -6.725  -2.808  -2.808
  595   1HB   ASN  89           HB2      ASN  89  -6.802  -5.454  -5.454
  596   2HB   ASN  89           HB1      ASN  89  -5.050  -5.282  -5.282
  597   1HD2  ASN  89          HD22      ASN  89  -7.129  -4.920  -4.920
  598   2HD2  ASN  89          HD21      ASN  89  -7.697  -5.686  -5.686
  599    H    GLY  90           HN       GLY  90  -5.028  -2.144  -2.144
  600   1HA   GLY  90           HA2      GLY  90  -2.677  -1.279  -1.279
  601   2HA   GLY  90           HA1      GLY  90  -2.336  -2.288  -2.288
  602    H    PHE  91           HN       PHE  91  -5.090  -0.251  -0.251
  603    HA   PHE  91           HA       PHE  91  -3.542   1.534   1.534
  604   1HB   PHE  91           HB2      PHE  91  -6.097   0.131   0.131
  605   2HB   PHE  91           HB1      PHE  91  -6.092   1.801   1.801
  606    HD1  PHE  91           HD2      PHE  91  -4.582  -1.520  -1.520
  607    HD2  PHE  91           HD1      PHE  91  -4.625   2.501   2.501
  608    HE1  PHE  91           HE2      PHE  91  -3.225  -2.209  -2.209
  609    HE2  PHE  91           HE1      PHE  91  -3.265   1.836   1.836
  610    HZ   PHE  91           HZ       PHE  91  -2.569  -0.540  -0.540
  611    HA   PRO  92           HA       PRO  92  -6.561   4.510   4.510
  612   1HB   PRO  92           HB2      PRO  92  -7.784   3.714   3.714
  613   2HB   PRO  92           HB1      PRO  92  -8.536   3.596   3.596
  614   1HG   PRO  92           HG2      PRO  92  -7.368   1.436   1.436
  615   2HG   PRO  92           HG1      PRO  92  -8.632   1.336   1.336
  616   1HD   PRO  92           HD2      PRO  92  -5.943   0.586   0.586
  617   2HD   PRO  92           HD1      PRO  92  -7.107   0.827   0.827
  618    H    LYS  93           HN       LYS  93  -3.949   2.953   2.953
  619    HA   LYS  93           HA       LYS  93  -3.461   4.425   4.425
  620   1HB   LYS  93           HB2      LYS  93  -2.926   1.884   1.884
  621   2HB   LYS  93           HB1      LYS  93  -1.544   2.493   2.493
  622   1HG   LYS  93           HG2      LYS  93  -1.795   3.931   3.931
  623   2HG   LYS  93           HG1      LYS  93  -1.734   2.196   2.196
  624   1HD   LYS  93           HD2      LYS  93   0.259   2.178   2.178
  625   2HD   LYS  93           HD1      LYS  93   0.295   3.926   3.926
  626   1HE   LYS  93           HE2      LYS  93   0.158   3.184   3.184
  627   2HE   LYS  93           HE1      LYS  93   0.925   1.733   1.733
  628   1HZ   LYS  93           HZ1      LYS  93   1.924   4.436   4.436
  629   2HZ   LYS  93           HZ3      LYS  93   2.429   3.620   3.620
  630   3HZ   LYS  93           HZ2      LYS  93   2.734   2.947   2.947
  631    H    THR  94           HN       THR  94  -1.123   5.284   5.284
  632    HA   THR  94           HA       THR  94  -0.565   6.605   6.605
  633    HB   THR  94           HB       THR  94  -0.189   7.794   7.794
  634    HG1  THR  94           HG1      THR  94  -2.414   7.405   7.405
  635   1HG2  THR  94          HG23      THR  94   1.311   8.582   8.582
  636   2HG2  THR  94          HG22      THR  94  -0.127   9.066   9.066
  637   3HG2  THR  94          HG21      THR  94   0.254   9.841   9.841
  638    H    VAL  95           HN       VAL  95   1.420   6.301   6.301
  639    HA   VAL  95           HA       VAL  95   3.397   5.125   5.125
  640    HB   VAL  95           HB       VAL  95   3.117   5.049   5.049
  641   1HG1  VAL  95          HG12      VAL  95   5.628   5.166   5.166
  642   2HG1  VAL  95          HG11      VAL  95   5.456   3.686   3.686
  643   3HG1  VAL  95          HG13      VAL  95   5.348   5.248   5.248
  644   1HG2  VAL  95          HG22      VAL  95   2.362   3.326   3.326
  645   2HG2  VAL  95          HG21      VAL  95   2.878   2.796   2.796
  646   3HG2  VAL  95          HG23      VAL  95   4.015   2.767   2.767
  647    H    THR  96           HN       THR  96   5.574   6.106   6.106
  648    HA   THR  96           HA       THR  96   5.430   8.982   8.982
  649    HB   THR  96           HB       THR  96   6.989   7.850   7.850
  650    HG1  THR  96           HG1      THR  96   5.243   8.394   8.394
  651   1HG2  THR  96          HG21      THR  96   6.863  10.398  10.398
  652   2HG2  THR  96          HG23      THR  96   6.074  10.545  10.545
  653   3HG2  THR  96          HG22      THR  96   7.735   9.959   9.959
  654    H    VAL  97           HN       VAL  97   7.096   9.968   9.968
  655    HA   VAL  97           HA       VAL  97   9.640   8.483   8.483
  656    HB   VAL  97           HB       VAL  97   7.877   9.907   9.907
  657   1HG1  VAL  97          HG12      VAL  97  10.889   9.767   9.767
  658   2HG1  VAL  97          HG11      VAL  97   9.909  10.023  10.023
  659   3HG1  VAL  97          HG13      VAL  97   9.879  11.209  11.209
  660   1HG2  VAL  97          HG23      VAL  97   9.483   7.386   7.386
  661   2HG2  VAL  97          HG22      VAL  97   7.821   7.602   7.602
  662   3HG2  VAL  97          HG21      VAL  97   9.158   8.076   8.076
  663    H    LYS  98           HN       LYS  98  11.406   9.706   9.706
  664    HA   LYS  98           HA       LYS  98  10.867  12.594  12.594
  665   1HB   LYS  98           HB2      LYS  98  11.868  10.487  10.487
  666   2HB   LYS  98           HB1      LYS  98  12.972  11.862  11.862
  667   1HG   LYS  98           HG2      LYS  98  10.578  13.151  13.151
  668   2HG   LYS  98           HG1      LYS  98  10.239  11.690  11.690
  669   1HD   LYS  98           HD2      LYS  98  12.791  13.212  13.212
  670   2HD   LYS  98           HD1      LYS  98  11.289  13.745  13.745
  671   1HE   LYS  98           HE2      LYS  98  10.992  11.452  11.452
  672   2HE   LYS  98           HE1      LYS  98  12.556  11.002  11.002
  673   1HZ   LYS  98           HZ1      LYS  98  12.121  13.222  13.222
  674   2HZ   LYS  98           HZ3      LYS  98  12.690  11.681  11.681
  675   3HZ   LYS  98           HZ2      LYS  98  13.617  12.679  12.679
  676    HA   PRO  99           HA       PRO  99  15.429  12.675  12.675
  677   1HB   PRO  99           HB2      PRO  99  16.768  10.320  10.320
  678   2HB   PRO  99           HB1      PRO  99  16.677  11.106  11.106
  679   1HG   PRO  99           HG2      PRO  99  15.232   8.688   8.688
  680   2HG   PRO  99           HG1      PRO  99  15.697   9.125   9.125
  681   1HD   PRO  99           HD2      PRO  99  13.120   9.378   9.378
  682   2HD   PRO  99           HD1      PRO  99  13.688  10.151  10.151
  683    H    ALA 100           HN       ALA 100  13.971  13.250  13.250
  684    HA   ALA 100           HA       ALA 100  13.959  11.372  11.372
  685   1HB   ALA 100           HB2      ALA 100  12.372  13.491  13.491
  686   2HB   ALA 100           HB1      ALA 100  13.451  14.235  14.235
  687   3HB   ALA 100           HB3      ALA 100  12.504  12.819  12.819

  Start of MODEL   14
    1   1H    ALA   1           HT1      ALA   1 -18.560 -11.895 -11.895
    2   2H    ALA   1           HT3      ALA   1 -19.130 -10.443 -10.443
    3   3H    ALA   1           HT2      ALA   1 -19.782 -11.020 -11.020
    4    HA   ALA   1           HA       ALA   1 -17.894 -10.495 -10.495
    5   1HB   ALA   1           HB2      ALA   1 -19.184  -8.500  -8.500
    6   2HB   ALA   1           HB1      ALA   1 -18.095  -8.353  -8.353
    7   3HB   ALA   1           HB3      ALA   1 -17.479  -8.142  -8.142
    8    H    ASP   2           HN       ASP   2 -15.820  -8.721  -8.721
    9    HA   ASP   2           HA       ASP   2 -14.120 -10.778 -10.778
   10   1HB   ASP   2           HB2      ASP   2 -13.393 -10.363 -10.363
   11   2HB   ASP   2           HB1      ASP   2 -13.359  -8.627  -8.627
   12    HA   PRO   3           HA       PRO   3 -14.065  -6.764  -6.764
   13   1HB   PRO   3           HB2      PRO   3 -15.875  -7.394  -7.394
   14   2HB   PRO   3           HB1      PRO   3 -16.316  -6.494  -6.494
   15   1HG   PRO   3           HG2      PRO   3 -16.859  -9.354  -9.354
   16   2HG   PRO   3           HG1      PRO   3 -17.799  -8.245  -8.245
   17   1HD   PRO   3           HD2      PRO   3 -16.083 -10.247 -10.247
   18   2HD   PRO   3           HD1      PRO   3 -16.679  -8.849  -8.849
   19    H    GLU   4           HN       GLU   4 -13.578 -10.043 -10.043
   20    HA   GLU   4           HA       GLU   4 -12.122  -9.860  -9.860
   21   1HB   GLU   4           HB2      GLU   4 -14.347 -11.504 -11.504
   22   2HB   GLU   4           HB1      GLU   4 -12.938 -12.526 -12.526
   23   1HG   GLU   4           HG2      GLU   4 -12.587 -11.433 -11.433
   24   2HG   GLU   4           HG1      GLU   4 -14.025 -10.449 -10.449
   25    H    LYS   5           HN       LYS   5 -11.589 -10.096 -10.096
   26    HA   LYS   5           HA       LYS   5  -9.175 -11.756 -11.756
   27   1HB   LYS   5           HB2      LYS   5 -11.436 -12.410 -12.410
   28   2HB   LYS   5           HB1      LYS   5  -9.783 -12.815 -12.815
   29   1HG   LYS   5           HG2      LYS   5 -10.328 -13.561 -13.561
   30   2HG   LYS   5           HG1      LYS   5 -11.451 -14.338 -14.338
   31   1HD   LYS   5           HD2      LYS   5  -8.906 -14.473 -14.473
   32   2HD   LYS   5           HD1      LYS   5  -8.667 -14.936 -14.936
   33   1HE   LYS   5           HE2      LYS   5 -10.955 -16.077 -16.077
   34   2HE   LYS   5           HE1      LYS   5  -9.344 -16.788 -16.788
   35   1HZ   LYS   5           HZ2      LYS   5 -10.072 -16.272 -16.272
   36   2HZ   LYS   5           HZ1      LYS   5 -11.234 -17.256 -17.256
   37   3HZ   LYS   5           HZ3      LYS   5  -9.607 -17.737 -17.737
   38    H    SER   6           HN       SER   6  -9.606  -8.970  -8.970
   39    HA   SER   6           HA       SER   6  -8.482  -8.499  -8.499
   40   1HB   SER   6           HB2      SER   6  -9.889  -6.557  -6.557
   41   2HB   SER   6           HB1      SER   6  -9.280  -6.182  -6.182
   42    HG   SER   6           HG       SER   6 -11.458  -7.762  -7.762
   43    H    TYR   7           HN       TYR   7  -6.356  -7.925  -7.925
   44    HA   TYR   7           HA       TYR   7  -5.296  -6.429  -6.429
   45   1HB   TYR   7           HB2      TYR   7  -3.223  -8.002  -8.002
   46   2HB   TYR   7           HB1      TYR   7  -4.648  -8.568  -8.568
   47    HD1  TYR   7           HD1      TYR   7  -6.433  -9.867  -9.867
   48    HD2  TYR   7           HD2      TYR   7  -2.361  -9.272  -9.272
   49    HE1  TYR   7           HE1      TYR   7  -6.627 -11.781 -11.781
   50    HE2  TYR   7           HE2      TYR   7  -2.556 -11.187 -11.187
   51    HH   TYR   7           HH       TYR   7  -5.191 -13.375 -13.375
   52    H    ALA   8           HN       ALA   8  -3.583  -5.054  -5.054
   53    HA   ALA   8           HA       ALA   8  -2.598  -4.977  -4.977
   54   1HB   ALA   8           HB3      ALA   8  -3.632  -2.760  -2.760
   55   2HB   ALA   8           HB2      ALA   8  -2.379  -2.414  -2.414
   56   3HB   ALA   8           HB1      ALA   8  -3.936  -3.059  -3.059
   57    H    GLU   9           HN       GLU   9  -0.391  -5.103  -5.103
   58    HA   GLU   9           HA       GLU   9   1.168  -3.934  -3.934
   59   1HB   GLU   9           HB2      GLU   9   2.541  -6.235  -6.235
   60   2HB   GLU   9           HB1      GLU   9   1.206  -6.021  -6.021
   61   1HG   GLU   9           HG2      GLU   9  -0.339  -6.968  -6.968
   62   2HG   GLU   9           HG1      GLU   9   1.074  -7.315  -7.315
   63    H    GLY  10           HN       GLY  10   3.224  -3.304  -3.304
   64   1HA   GLY  10           HA2      GLY  10   4.373  -4.212  -4.212
   65   2HA   GLY  10           HA1      GLY  10   3.757  -2.566  -2.566
   66    HA   PRO  11           HA       PRO  11   8.033  -2.470  -2.470
   67   1HB   PRO  11           HB2      PRO  11   9.338  -1.487  -1.487
   68   2HB   PRO  11           HB1      PRO  11   9.204  -3.219  -3.219
   69   1HG   PRO  11           HG2      PRO  11   7.756  -1.604  -1.604
   70   2HG   PRO  11           HG1      PRO  11   8.147  -3.332  -3.332
   71   1HD   PRO  11           HD2      PRO  11   5.626  -2.208  -2.208
   72   2HD   PRO  11           HD1      PRO  11   6.125  -3.882  -3.882
   73    H    GLY  12           HN       GLY  12   5.566  -0.629  -0.629
   74   1HA   GLY  12           HA2      GLY  12   6.945   1.979   1.979
   75   2HA   GLY  12           HA1      GLY  12   5.466   1.766   1.766
   76    H    LEU  13           HN       LEU  13   5.693   3.542   3.542
   77    HA   LEU  13           HA       LEU  13   4.136   4.123   4.123
   78   1HB   LEU  13           HB2      LEU  13   2.214   2.985   2.985
   79   2HB   LEU  13           HB1      LEU  13   2.830   2.132   2.132
   80    HG   LEU  13           HG       LEU  13   3.844   0.788   0.788
   81   1HD1  LEU  13          HD11      LEU  13   1.032   1.760   1.760
   82   2HD1  LEU  13          HD13      LEU  13   1.411   0.128   0.128
   83   3HD1  LEU  13          HD12      LEU  13   2.236   1.513   1.513
   84   1HD2  LEU  13          HD23      LEU  13   2.458   0.240   0.240
   85   2HD2  LEU  13          HD22      LEU  13   3.320  -0.894  -0.894
   86   3HD2  LEU  13          HD21      LEU  13   1.606  -0.576  -0.576
   87    H    ASP  14           HN       ASP  14   6.596   1.960   1.960
   88    HA   ASP  14           HA       ASP  14   6.454   1.055   1.055
   89   1HB   ASP  14           HB2      ASP  14   8.961   1.626   1.626
   90   2HB   ASP  14           HB1      ASP  14   8.741   0.440   0.440
   91    H    GLY  15           HN       GLY  15   7.101   4.022   4.022
   92   1HA   GLY  15           HA2      GLY  15   7.432   6.152   6.152
   93   2HA   GLY  15           HA1      GLY  15   7.571   5.345   5.345
   94    H    GLY  16           HN       GLY  16   9.406   6.088   6.088
   95   1HA   GLY  16           HA2      GLY  16  11.728   6.248   6.248
   96   2HA   GLY  16           HA1      GLY  16  11.912   5.114   5.114
   97    H    GLU  17           HN       GLU  17  11.611   6.124   6.124
   98    HA   GLU  17           HA       GLU  17  12.836   8.852   8.852
   99   1HB   GLU  17           HB2      GLU  17  13.300   6.492   6.492
  100   2HB   GLU  17           HB1      GLU  17  13.783   8.108   8.108
  101   1HG   GLU  17           HG2      GLU  17  15.291   8.305   8.305
  102   2HG   GLU  17           HG1      GLU  17  14.602   6.897   6.897
  103    H    CYS  18           HN       CYS  18  12.112  10.364  10.364
  104    HA   CYS  18           HA       CYS  18   9.480   9.878   9.878
  105   1HB   CYS  18           HB2      CYS  18  11.103  12.328  12.328
  106   2HB   CYS  18           HB1      CYS  18  10.014  12.383  12.383
  107    HG   CYS  18           HG       CYS  18   7.996  12.116  12.116
  108    H    PHE  19           HN       PHE  19  12.810  10.009  10.009
  109    HA   PHE  19           HA       PHE  19  12.126  10.503  10.503
  110   1HB   PHE  19           HB2      PHE  19  14.748  10.159  10.159
  111   2HB   PHE  19           HB1      PHE  19  14.657  10.157  10.157
  112    HD1  PHE  19           HD1      PHE  19  12.565  11.989  11.989
  113    HD2  PHE  19           HD2      PHE  19  15.516  12.288  12.288
  114    HE1  PHE  19           HE1      PHE  19  12.254  14.437  14.437
  115    HE2  PHE  19           HE2      PHE  19  15.209  14.749  14.749
  116    HZ   PHE  19           HZ       PHE  19  13.550  15.805  15.805
  117    H    GLN  20           HN       GLN  20  11.530   8.043   8.043
  118    HA   GLN  20           HA       GLN  20  12.583   5.974   5.974
  119   1HB   GLN  20           HB2      GLN  20  12.780   5.414   5.414
  120   2HB   GLN  20           HB1      GLN  20  11.066   5.757   5.757
  121   1HG   GLN  20           HG2      GLN  20  10.535   3.947   3.947
  122   2HG   GLN  20           HG1      GLN  20  12.252   3.544   3.544
  123   1HE2  GLN  20          HE22      GLN  20  12.189   2.466   2.466
  124   2HE2  GLN  20          HE21      GLN  20  13.127   3.475   3.475
  125    HA   PRO  21           HA       PRO  21   8.745   6.507   6.507
  126   1HB   PRO  21           HB2      PRO  21   8.760   4.139   4.139
  127   2HB   PRO  21           HB1      PRO  21   9.682   5.579   5.579
  128   1HG   PRO  21           HG2      PRO  21  10.643   3.061   3.061
  129   2HG   PRO  21           HG1      PRO  21  11.499   4.148   4.148
  130   1HD   PRO  21           HD2      PRO  21  11.880   4.105   4.105
  131   2HD   PRO  21           HD1      PRO  21  12.264   5.491   5.491
  132    H    SER  22           HN       SER  22   6.627   6.014   6.014
  133    HA   SER  22           HA       SER  22   6.343   3.723   3.723
  134   1HB   SER  22           HB2      SER  22   4.302   5.830   5.830
  135   2HB   SER  22           HB1      SER  22   4.449   4.797   4.797
  136    HG   SER  22           HG       SER  22   5.938   7.062   7.062
  137    H    LYS  23           HN       LYS  23   5.680   1.922   1.922
  138    HA   LYS  23           HA       LYS  23   3.276   2.173   2.173
  139   1HB   LYS  23           HB2      LYS  23   5.760   0.690   0.690
  140   2HB   LYS  23           HB1      LYS  23   4.236   0.762   0.762
  141   1HG   LYS  23           HG2      LYS  23   5.105   2.540   2.540
  142   2HG   LYS  23           HG1      LYS  23   4.825   3.428   3.428
  143   1HD   LYS  23           HD2      LYS  23   7.106   3.805   3.805
  144   2HD   LYS  23           HD1      LYS  23   7.124   2.551   2.551
  145   1HE   LYS  23           HE2      LYS  23   8.077   1.062   1.062
  146   2HE   LYS  23           HE1      LYS  23   6.902   1.411   1.411
  147   1HZ   LYS  23           HZ1      LYS  23   8.301   3.600   3.600
  148   2HZ   LYS  23           HZ3      LYS  23   9.517   2.631   2.631
  149   3HZ   LYS  23           HZ2      LYS  23   8.796   2.182   2.182
  150    H    PHE  24           HN       PHE  24   1.927   0.508   0.508
  151    HA   PHE  24           HA       PHE  24   3.029  -1.982  -1.982
  152   1HB   PHE  24           HB2      PHE  24   0.560  -1.446  -1.446
  153   2HB   PHE  24           HB1      PHE  24   2.160  -1.700  -1.700
  154    HD1  PHE  24           HD1      PHE  24   3.797   0.346   0.346
  155    HD2  PHE  24           HD2      PHE  24  -0.483   0.598   0.598
  156    HE1  PHE  24           HE1      PHE  24   3.964   2.749   2.749
  157    HE2  PHE  24           HE2      PHE  24  -0.320   3.010   3.010
  158    HZ   PHE  24           HZ       PHE  24   1.909   4.076   4.076
  159    H    LYS  25           HN       LYS  25   1.506  -3.795  -3.795
  160    HA   LYS  25           HA       LYS  25  -0.441  -3.353  -3.353
  161   1HB   LYS  25           HB2      LYS  25   1.146  -5.821  -5.821
  162   2HB   LYS  25           HB1      LYS  25  -0.100  -5.800  -5.800
  163   1HG   LYS  25           HG2      LYS  25   1.767  -3.625  -3.625
  164   2HG   LYS  25           HG1      LYS  25   2.622  -5.167  -5.167
  165   1HD   LYS  25           HD2      LYS  25   1.084  -6.108  -6.108
  166   2HD   LYS  25           HD1      LYS  25   0.244  -4.559  -4.559
  167   1HE   LYS  25           HE2      LYS  25   1.714  -4.043  -4.043
  168   2HE   LYS  25           HE1      LYS  25   2.894  -3.841  -3.841
  169   1HZ   LYS  25           HZ3      LYS  25   2.348  -6.445  -6.445
  170   2HZ   LYS  25           HZ2      LYS  25   3.568  -5.384  -5.384
  171   3HZ   LYS  25           HZ1      LYS  25   3.631  -6.055  -6.055
  172    H    ILE  26           HN       ILE  26  -2.531  -4.064  -4.064
  173    HA   ILE  26           HA       ILE  26  -3.133  -5.074  -5.074
  174    HB   ILE  26           HB       ILE  26  -5.039  -3.774  -3.774
  175   1HG1  ILE  26          HG12      ILE  26  -3.351  -2.551  -2.551
  176   2HG1  ILE  26          HG11      ILE  26  -3.263  -2.184  -2.184
  177   1HG2  ILE  26          HG23      ILE  26  -6.008  -5.152  -5.152
  178   2HG2  ILE  26          HG22      ILE  26  -5.150  -4.153  -4.153
  179   3HG2  ILE  26          HG21      ILE  26  -6.408  -3.443  -3.443
  180   1HD1  ILE  26          HD11      ILE  26  -5.880  -1.855  -1.855
  181   2HD1  ILE  26          HD13      ILE  26  -4.641  -0.614  -0.614
  182   3HD1  ILE  26          HD12      ILE  26  -5.270  -1.009  -1.009
  183    H    HIS  27           HN       HIS  27  -4.635  -6.766  -6.766
  184    HA   HIS  27           HA       HIS  27  -5.468  -8.191  -8.191
  185   1HB   HIS  27           HB2      HIS  27  -4.191  -9.720  -9.720
  186   2HB   HIS  27           HB1      HIS  27  -4.473 -10.244 -10.244
  187    HD1  HIS  27           HD1      HIS  27  -2.573  -7.422  -7.422
  188    HD2  HIS  27           HD2      HIS  27  -2.174 -10.021 -10.021
  189    HE1  HIS  27           HE1      HIS  27  -0.356  -6.889  -6.889
  190    H    ALA  28           HN       ALA  28  -7.613  -8.377  -8.377
  191    HA   ALA  28           HA       ALA  28  -8.741  -8.711  -8.711
  192   1HB   ALA  28           HB3      ALA  28  -9.651  -7.498  -7.498
  193   2HB   ALA  28           HB2      ALA  28 -10.885  -8.455  -8.455
  194   3HB   ALA  28           HB1      ALA  28 -10.107  -7.113  -7.113
  195    H    VAL  29           HN       VAL  29 -10.134 -10.487 -10.487
  196    HA   VAL  29           HA       VAL  29 -10.387 -12.572 -12.572
  197    HB   VAL  29           HB       VAL  29  -9.118 -12.821 -12.821
  198   1HG1  VAL  29          HG13      VAL  29 -11.198 -14.188 -14.188
  199   2HG1  VAL  29          HG12      VAL  29 -10.750 -15.060 -15.060
  200   3HG1  VAL  29          HG11      VAL  29  -9.746 -15.188 -15.188
  201   1HG2  VAL  29          HG23      VAL  29  -8.811 -13.932 -13.932
  202   2HG2  VAL  29          HG22      VAL  29  -7.623 -13.092 -13.092
  203   3HG2  VAL  29          HG21      VAL  29  -8.059 -14.762 -14.762
  204    H    ASP  30           HN       ASP  30 -12.488 -12.918 -12.918
  205    HA   ASP  30           HA       ASP  30 -14.386 -12.255 -12.255
  206   1HB   ASP  30           HB2      ASP  30 -15.924 -11.776 -11.776
  207   2HB   ASP  30           HB1      ASP  30 -14.450 -11.472 -11.472
  208    HA   PRO  31           HA       PRO  31 -15.589 -16.442 -16.442
  209   1HB   PRO  31           HB2      PRO  31 -18.308 -16.529 -16.529
  210   2HB   PRO  31           HB1      PRO  31 -17.539 -15.798 -15.798
  211   1HG   PRO  31           HG2      PRO  31 -18.836 -14.464 -14.464
  212   2HG   PRO  31           HG1      PRO  31 -18.580 -13.857 -13.857
  213   1HD   PRO  31           HD2      PRO  31 -17.055 -13.194 -13.194
  214   2HD   PRO  31           HD1      PRO  31 -16.655 -12.780 -12.780
  215    H    ASP  32           HN       ASP  32 -15.145 -15.553 -15.553
  216    HA   ASP  32           HA       ASP  32 -16.394 -18.046 -18.046
  217   1HB   ASP  32           HB2      ASP  32 -16.202 -15.276 -15.276
  218   2HB   ASP  32           HB1      ASP  32 -16.165 -16.655 -16.655
  219    H    GLY  33           HN       GLY  33 -13.597 -17.085 -17.085
  220   1HA   GLY  33           HA2      GLY  33 -11.383 -17.766 -17.766
  221   2HA   GLY  33           HA1      GLY  33 -12.020 -18.752 -18.752
  222    H    VAL  34           HN       VAL  34 -12.703 -15.378 -15.378
  223    HA   VAL  34           HA       VAL  34 -10.862 -14.595 -14.595
  224    HB   VAL  34           HB       VAL  34 -13.667 -13.618 -13.618
  225   1HG1  VAL  34          HG11      VAL  34 -11.281 -14.088 -14.088
  226   2HG1  VAL  34          HG13      VAL  34 -12.797 -14.518 -14.518
  227   3HG1  VAL  34          HG12      VAL  34 -12.556 -12.881 -12.881
  228   1HG2  VAL  34          HG23      VAL  34 -12.854 -16.489 -16.489
  229   2HG2  VAL  34          HG22      VAL  34 -14.249 -15.893 -15.893
  230   3HG2  VAL  34          HG21      VAL  34 -14.197 -15.734 -15.734
  231    H    HIS  35           HN       HIS  35 -10.776 -12.171 -12.171
  232    HA   HIS  35           HA       HIS  35 -10.971 -10.975 -10.975
  233   1HB   HIS  35           HB2      HIS  35 -10.321  -9.476  -9.476
  234   2HB   HIS  35           HB1      HIS  35  -9.776  -9.133  -9.133
  235    HD1  HIS  35           HD1      HIS  35  -7.525 -10.064 -10.064
  236    HD2  HIS  35           HD2      HIS  35  -9.159 -12.031 -12.031
  237    HE1  HIS  35           HE1      HIS  35  -5.764 -11.693 -11.693
  238    H    ARG  36           HN       ARG  36 -13.422 -11.681 -11.681
  239    HA   ARG  36           HA       ARG  36 -15.612 -10.918 -10.918
  240   1HB   ARG  36           HB2      ARG  36 -14.214  -8.780  -8.780
  241   2HB   ARG  36           HB1      ARG  36 -14.899  -8.090  -8.090
  242   1HG   ARG  36           HG2      ARG  36 -17.126  -9.123  -9.123
  243   2HG   ARG  36           HG1      ARG  36 -16.360  -9.350  -9.350
  244   1HD   ARG  36           HD2      ARG  36 -17.277  -7.248  -7.248
  245   2HD   ARG  36           HD1      ARG  36 -15.707  -6.790  -6.790
  246    HE   ARG  36           HE       ARG  36 -16.809  -6.033  -6.033
  247   1HH1  ARG  36          HH21      ARG  36 -18.274  -7.852  -7.852
  248   2HH1  ARG  36          HH22      ARG  36 -19.931  -7.672  -7.672
  249   1HH2  ARG  36          HH11      ARG  36 -19.192  -5.882  -5.882
  250   2HH2  ARG  36          HH12      ARG  36 -20.450  -6.555  -6.555
  251    H    THR  37           HN       THR  37 -15.069 -12.059 -12.059
  252    HA   THR  37           HA       THR  37 -15.279 -12.052 -12.052
  253    HB   THR  37           HB       THR  37 -17.170 -10.486 -10.486
  254    HG1  THR  37           HG1      THR  37 -18.374  -9.777  -9.777
  255   1HG2  THR  37          HG22      THR  37 -17.192 -12.934 -12.934
  256   2HG2  THR  37          HG21      THR  37 -18.253 -12.017 -12.017
  257   3HG2  THR  37          HG23      THR  37 -18.627 -12.139 -12.139
  258    H    ASP  38           HN       ASP  38 -13.161 -11.208 -11.208
  259    HA   ASP  38           HA       ASP  38 -12.138  -8.676  -8.676
  260   1HB   ASP  38           HB2      ASP  38 -11.519 -10.934 -10.934
  261   2HB   ASP  38           HB1      ASP  38 -11.797  -9.701  -9.701
  262    H    GLY  39           HN       GLY  39 -12.137  -6.800  -6.800
  263   1HA   GLY  39           HA2      GLY  39 -13.106  -5.360  -5.360
  264   2HA   GLY  39           HA1      GLY  39 -14.310  -6.602  -6.602
  265    H    GLY  40           HN       GLY  40 -15.156  -6.982  -6.982
  266   1HA   GLY  40           HA2      GLY  40 -16.423  -4.318  -4.318
  267   2HA   GLY  40           HA1      GLY  40 -17.337  -5.821  -5.821
  268    H    ASP  41           HN       ASP  41 -14.227  -4.581  -4.581
  269    HA   ASP  41           HA       ASP  41 -14.993  -5.858  -5.858
  270   1HB   ASP  41           HB2      ASP  41 -12.279  -4.730  -4.730
  271   2HB   ASP  41           HB1      ASP  41 -12.672  -5.937  -5.937
  272    H    GLY  42           HN       GLY  42 -15.789  -4.458  -4.458
  273   1HA   GLY  42           HA2      GLY  42 -15.695  -1.590  -1.590
  274   2HA   GLY  42           HA1      GLY  42 -16.247  -2.420  -2.420
  275    H    PHE  43           HN       PHE  43 -13.166  -2.015  -2.015
  276    HA   PHE  43           HA       PHE  43 -11.764  -1.892  -1.892
  277   1HB   PHE  43           HB2      PHE  43 -11.167  -3.071  -3.071
  278   2HB   PHE  43           HB1      PHE  43 -10.041  -1.728  -1.728
  279    HD1  PHE  43           HD1      PHE  43  -9.865  -1.695  -1.695
  280    HD2  PHE  43           HD2      PHE  43  -9.720  -4.905  -4.905
  281    HE1  PHE  43           HE1      PHE  43  -8.501  -3.045  -3.045
  282    HE2  PHE  43           HE2      PHE  43  -8.361  -6.252  -6.252
  283    HZ   PHE  43           HZ       PHE  43  -7.752  -5.321  -5.321
  284    H    VAL  44           HN       VAL  44 -11.561   0.113   0.113
  285    HA   VAL  44           HA       VAL  44 -10.762   2.278   2.278
  286    HB   VAL  44           HB       VAL  44 -12.820   3.145   3.145
  287   1HG1  VAL  44          HG13      VAL  44 -12.579   1.212   1.212
  288   2HG1  VAL  44          HG12      VAL  44 -13.315   2.720   2.720
  289   3HG1  VAL  44          HG11      VAL  44 -14.021   1.811   1.811
  290   1HG2  VAL  44          HG21      VAL  44 -10.770   4.442   4.442
  291   2HG2  VAL  44          HG23      VAL  44 -12.431   4.938   4.938
  292   3HG2  VAL  44          HG22      VAL  44 -11.555   3.953   3.953
  293    H    VAL  45           HN       VAL  45  -8.648   2.656   2.656
  294    HA   VAL  45           HA       VAL  45  -7.787   2.672   2.672
  295    HB   VAL  45           HB       VAL  45  -6.195   1.727   1.727
  296   1HG1  VAL  45          HG12      VAL  45  -5.480   2.280   2.280
  297   2HG1  VAL  45          HG11      VAL  45  -4.602   1.058   1.058
  298   3HG1  VAL  45          HG13      VAL  45  -4.607   2.737   2.737
  299   1HG2  VAL  45          HG23      VAL  45  -7.963   0.408   0.408
  300   2HG2  VAL  45          HG22      VAL  45  -7.095  -0.282  -0.282
  301   3HG2  VAL  45          HG21      VAL  45  -6.318  -0.193  -0.193
  302    H    THR  46           HN       THR  46  -6.305   4.289   4.289
  303    HA   THR  46           HA       THR  46  -5.334   6.130   6.130
  304    HB   THR  46           HB       THR  46  -6.833   7.721   7.721
  305    HG1  THR  46           HG1      THR  46  -8.384   6.224   6.224
  306   1HG2  THR  46          HG21      THR  46  -5.860   8.307   8.307
  307   2HG2  THR  46          HG23      THR  46  -7.240   7.448   7.448
  308   3HG2  THR  46          HG22      THR  46  -7.499   8.872   8.872
  309    H    ILE  47           HN       ILE  47  -3.577   7.188   7.188
  310    HA   ILE  47           HA       ILE  47  -2.932   7.084   7.084
  311    HB   ILE  47           HB       ILE  47  -1.190   6.693   6.693
  312   1HG1  ILE  47          HG12      ILE  47  -1.869   5.225   5.225
  313   2HG1  ILE  47          HG11      ILE  47  -1.533   4.595   4.595
  314   1HG2  ILE  47          HG22      ILE  47  -0.287   7.683   7.683
  315   2HG2  ILE  47          HG21      ILE  47   0.792   7.116   7.116
  316   3HG2  ILE  47          HG23      ILE  47  -0.169   8.565   8.565
  317   1HD1  ILE  47          HD13      ILE  47   0.894   5.454   5.454
  318   2HD1  ILE  47          HD12      ILE  47   0.417   5.450   5.450
  319   3HD1  ILE  47          HD11      ILE  47   0.386   3.951   3.951
  320    H    GLU  48           HN       GLU  48  -1.684   8.940   8.940
  321    HA   GLU  48           HA       GLU  48  -1.188  11.138  11.138
  322   1HB   GLU  48           HB2      GLU  48  -2.953  12.613  12.613
  323   2HB   GLU  48           HB1      GLU  48  -3.388  11.816  11.816
  324   1HG   GLU  48           HG2      GLU  48  -4.583  10.140  10.140
  325   2HG   GLU  48           HG1      GLU  48  -3.637  10.264  10.264
  326    H    GLY  49           HN       GLY  49  -0.034  12.768  12.768
  327   1HA   GLY  49           HA2      GLY  49   0.293  12.821  12.821
  328   2HA   GLY  49           HA1      GLY  49   1.733  12.396  12.396
  329    HA   PRO  50           HA       PRO  50   1.438  17.016  17.016
  330   1HB   PRO  50           HB2      PRO  50   3.912  17.396  17.396
  331   2HB   PRO  50           HB1      PRO  50   2.421  17.196  17.196
  332   1HG   PRO  50           HG2      PRO  50   4.638  15.249  15.249
  333   2HG   PRO  50           HG1      PRO  50   3.503  15.372  15.372
  334   1HD   PRO  50           HD2      PRO  50   3.345  13.510  13.510
  335   2HD   PRO  50           HD1      PRO  50   2.054  13.875  13.875
  336    H    ALA  51           HN       ALA  51   1.712  16.198  16.198
  337    HA   ALA  51           HA       ALA  51   4.192  17.392  17.392
  338   1HB   ALA  51           HB1      ALA  51   4.242  14.678  14.678
  339   2HB   ALA  51           HB3      ALA  51   3.757  14.746  14.746
  340   3HB   ALA  51           HB2      ALA  51   5.259  15.512  15.512
  341    HA   PRO  52           HA       PRO  52   1.700  18.211  18.211
  342   1HB   PRO  52           HB2      PRO  52   3.270  17.536  17.536
  343   2HB   PRO  52           HB1      PRO  52   3.538  18.969  18.969
  344   1HG   PRO  52           HG2      PRO  52   5.063  16.406  16.406
  345   2HG   PRO  52           HG1      PRO  52   5.609  18.024  18.024
  346   1HD   PRO  52           HD2      PRO  52   4.935  15.935  15.935
  347   2HD   PRO  52           HD1      PRO  52   5.141  17.644  17.644
  348    H    VAL  53           HN       VAL  53   3.340  15.113  15.113
  349    HA   VAL  53           HA       VAL  53   0.850  14.157  14.157
  350    HB   VAL  53           HB       VAL  53   3.541  12.800  12.800
  351   1HG1  VAL  53          HG11      VAL  53   1.035  11.721  11.721
  352   2HG1  VAL  53          HG13      VAL  53   1.889  11.903  11.903
  353   3HG1  VAL  53          HG12      VAL  53   2.609  10.958  10.958
  354   1HG2  VAL  53          HG22      VAL  53   2.899  14.971  14.971
  355   2HG2  VAL  53          HG21      VAL  53   4.234  13.853  13.853
  356   3HG2  VAL  53          HG23      VAL  53   2.686  13.598  13.598
  357    H    ASP  54           HN       ASP  54  -0.455  14.030  14.030
  358    HA   ASP  54           HA       ASP  54   0.540  12.049  12.049
  359   1HB   ASP  54           HB2      ASP  54  -1.653  14.117  14.117
  360   2HB   ASP  54           HB1      ASP  54  -1.452  12.890  12.890
  361    HA   PRO  55           HA       PRO  55  -3.609  10.003  10.003
  362   1HB   PRO  55           HB2      PRO  55  -5.236  11.163  11.163
  363   2HB   PRO  55           HB1      PRO  55  -5.310  11.555  11.555
  364   1HG   PRO  55           HG2      PRO  55  -4.192  13.167  13.167
  365   2HG   PRO  55           HG1      PRO  55  -4.842  13.709  13.709
  366   1HD   PRO  55           HD2      PRO  55  -2.094  13.480  13.480
  367   2HD   PRO  55           HD1      PRO  55  -2.773  13.743  13.743
  368    H    VAL  56           HN       VAL  56  -2.844   8.227   8.227
  369    HA   VAL  56           HA       VAL  56  -2.803   8.515   8.515
  370    HB   VAL  56           HB       VAL  56  -0.513   7.321   7.321
  371   1HG1  VAL  56          HG13      VAL  56  -1.214   7.807   7.807
  372   2HG1  VAL  56          HG12      VAL  56   0.482   7.944   7.944
  373   3HG1  VAL  56          HG11      VAL  56  -0.386   6.433   6.433
  374   1HG2  VAL  56          HG23      VAL  56  -0.908  10.118  10.118
  375   2HG2  VAL  56          HG22      VAL  56  -0.428   9.655   9.655
  376   3HG2  VAL  56          HG21      VAL  56   0.696   9.446   9.446
  377    H    MET  57           HN       MET  57  -4.415   6.914   6.914
  378    HA   MET  57           HA       MET  57  -3.522   4.199   4.199
  379   1HB   MET  57           HB2      MET  57  -5.553   3.554   3.554
  380   2HB   MET  57           HB1      MET  57  -5.141   5.106   5.106
  381   1HG   MET  57           HG2      MET  57  -6.989   4.818   4.818
  382   2HG   MET  57           HG1      MET  57  -7.562   4.877   4.877
  383   1HE   MET  57           HE1      MET  57  -8.221   6.394   6.394
  384   2HE   MET  57           HE3      MET  57  -8.965   7.475   7.475
  385   3HE   MET  57           HE2      MET  57  -7.857   8.116   8.116
  386    H    VAL  58           HN       VAL  58  -3.885   2.692   2.692
  387    HA   VAL  58           HA       VAL  58  -5.740   3.375   3.375
  388    HB   VAL  58           HB       VAL  58  -3.386   1.807   1.807
  389   1HG1  VAL  58          HG12      VAL  58  -5.045   4.089   4.089
  390   2HG1  VAL  58          HG11      VAL  58  -3.455   3.812   3.812
  391   3HG1  VAL  58          HG13      VAL  58  -4.679   2.544   2.544
  392   1HG2  VAL  58          HG21      VAL  58  -3.073   4.671   4.671
  393   2HG2  VAL  58          HG23      VAL  58  -2.195   3.255   3.255
  394   3HG2  VAL  58          HG22      VAL  58  -1.912   3.860   3.860
  395    H    ASP  59           HN       ASP  59  -6.539   1.467   1.467
  396    HA   ASP  59           HA       ASP  59  -6.433  -1.002  -1.002
  397   1HB   ASP  59           HB2      ASP  59  -8.674  -0.188  -0.188
  398   2HB   ASP  59           HB1      ASP  59  -8.620   0.164   0.164
  399    H    ASN  60           HN       ASN  60  -5.706  -2.863  -2.863
  400    HA   ASN  60           HA       ASN  60  -4.816  -2.674  -2.674
  401   1HB   ASN  60           HB2      ASN  60  -3.446  -3.677  -3.677
  402   2HB   ASN  60           HB1      ASN  60  -4.505  -5.080  -5.080
  403   1HD2  ASN  60          HD22      ASN  60  -1.413  -5.184  -5.184
  404   2HD2  ASN  60          HD21      ASN  60  -1.527  -4.647  -4.647
  405    H    GLY  61           HN       GLY  61  -7.572  -3.828  -3.828
  406   1HA   GLY  61           HA2      GLY  61  -9.471  -4.857  -4.857
  407   2HA   GLY  61           HA1      GLY  61  -8.651  -4.870  -4.870
  408    H    ASP  62           HN       ASP  62  -6.627  -6.238  -6.238
  409    HA   ASP  62           HA       ASP  62  -7.484  -8.966  -8.966
  410   1HB   ASP  62           HB2      ASP  62  -5.192  -9.663  -9.663
  411   2HB   ASP  62           HB1      ASP  62  -5.175  -8.170  -8.170
  412    H    GLY  63           HN       GLY  63  -8.598  -7.465  -7.465
  413   1HA   GLY  63           HA2      GLY  63  -9.337  -8.140  -8.140
  414   2HA   GLY  63           HA1      GLY  63  -8.364  -9.598  -9.598
  415    H    THR  64           HN       THR  64  -6.335  -7.127  -7.127
  416    HA   THR  64           HA       THR  64  -5.508  -6.727  -6.727
  417    HB   THR  64           HB       THR  64  -3.236  -7.099  -7.099
  418    HG1  THR  64           HG1      THR  64  -3.054  -6.000  -6.000
  419   1HG2  THR  64          HG21      THR  64  -4.901  -9.075  -9.075
  420   2HG2  THR  64          HG23      THR  64  -3.221  -9.329  -9.329
  421   3HG2  THR  64          HG22      THR  64  -4.474  -9.197  -9.197
  422    H    TYR  65           HN       TYR  65  -4.689  -4.630  -4.630
  423    HA   TYR  65           HA       TYR  65  -4.860  -2.729  -2.729
  424   1HB   TYR  65           HB2      TYR  65  -5.707  -2.282  -2.282
  425   2HB   TYR  65           HB1      TYR  65  -5.759  -1.063  -1.063
  426    HD1  TYR  65           HD2      TYR  65  -6.813  -4.621  -4.621
  427    HD2  TYR  65           HD1      TYR  65  -7.736  -0.841  -0.841
  428    HE1  TYR  65           HE2      TYR  65  -8.923  -5.551  -5.551
  429    HE2  TYR  65           HE1      TYR  65  -9.848  -1.772  -1.772
  430    HH   TYR  65           HH       TYR  65 -10.528  -4.690  -4.690
  431    H    ASP  66           HN       ASP  66  -3.442  -0.881  -0.881
  432    HA   ASP  66           HA       ASP  66  -1.130  -1.280  -1.280
  433   1HB   ASP  66           HB2      ASP  66  -0.761  -1.905  -1.905
  434   2HB   ASP  66           HB1      ASP  66  -0.887  -0.177  -0.177
  435    H    VAL  67           HN       VAL  67  -0.763   0.487   0.487
  436    HA   VAL  67           HA       VAL  67  -1.796   3.090   3.090
  437    HB   VAL  67           HB       VAL  67  -2.508   3.653   3.653
  438   1HG1  VAL  67          HG12      VAL  67  -3.639   1.588   1.588
  439   2HG1  VAL  67          HG11      VAL  67  -2.929   0.686   0.686
  440   3HG1  VAL  67          HG13      VAL  67  -4.077   1.985   1.985
  441   1HG2  VAL  67          HG22      VAL  67  -0.398   2.957   2.957
  442   2HG2  VAL  67          HG21      VAL  67  -1.843   2.495   2.495
  443   3HG2  VAL  67          HG23      VAL  67  -0.976   1.291   1.291
  444    H    GLU  68           HN       GLU  68  -0.321   4.925   4.925
  445    HA   GLU  68           HA       GLU  68   2.254   4.335   4.335
  446   1HB   GLU  68           HB2      GLU  68   2.277   5.299   5.299
  447   2HB   GLU  68           HB1      GLU  68   3.635   4.710   4.710
  448   1HG   GLU  68           HG2      GLU  68   3.090   2.888   2.888
  449   2HG   GLU  68           HG1      GLU  68   2.316   2.475   2.475
  450    H    PHE  69           HN       PHE  69   2.965   6.086   6.086
  451    HA   PHE  69           HA       PHE  69   2.421   8.775   8.775
  452   1HB   PHE  69           HB2      PHE  69   1.883   9.786   9.786
  453   2HB   PHE  69           HB1      PHE  69   0.888   8.337   8.337
  454    HD1  PHE  69           HD2      PHE  69   2.161   6.151   6.151
  455    HD2  PHE  69           HD1      PHE  69   3.060  10.221  10.221
  456    HE1  PHE  69           HE2      PHE  69   3.210   5.398   5.398
  457    HE2  PHE  69           HE1      PHE  69   4.109   9.465   9.465
  458    HZ   PHE  69           HZ       PHE  69   4.169   7.031   7.031
  459    H    GLU  70           HN       GLU  70   4.126  10.383  10.383
  460    HA   GLU  70           HA       GLU  70   6.542   9.213   9.213
  461   1HB   GLU  70           HB2      GLU  70   6.958   8.626   8.626
  462   2HB   GLU  70           HB1      GLU  70   6.364  10.176  10.176
  463   1HG   GLU  70           HG2      GLU  70   8.285  11.329  11.329
  464   2HG   GLU  70           HG1      GLU  70   8.722  10.083  10.083
  465    HA   PRO  71           HA       PRO  71   6.221  13.531  13.531
  466   1HB   PRO  71           HB2      PRO  71   7.606  13.125  13.125
  467   2HB   PRO  71           HB1      PRO  71   5.879  12.780  12.780
  468   1HG   PRO  71           HG2      PRO  71   8.168  10.877  10.877
  469   2HG   PRO  71           HG1      PRO  71   6.470  10.618  10.618
  470   1HD   PRO  71           HD2      PRO  71   7.738   9.758   9.758
  471   2HD   PRO  71           HD1      PRO  71   5.989   9.779   9.779
  472    H    LYS  72           HN       LYS  72   8.374  14.603  14.603
  473    HA   LYS  72           HA       LYS  72  10.803  14.172  14.172
  474   1HB   LYS  72           HB2      LYS  72  11.011  16.743  16.743
  475   2HB   LYS  72           HB1      LYS  72   9.879  15.975  15.975
  476   1HG   LYS  72           HG2      LYS  72   8.434  16.405  16.405
  477   2HG   LYS  72           HG1      LYS  72   9.341  17.890  17.890
  478   1HD   LYS  72           HD2      LYS  72   8.344  17.070  17.070
  479   2HD   LYS  72           HD1      LYS  72   7.006  16.914  16.914
  480   1HE   LYS  72           HE2      LYS  72   6.858  19.161  19.161
  481   2HE   LYS  72           HE1      LYS  72   8.608  19.375  19.375
  482   1HZ   LYS  72           HZ1      LYS  72   8.142  18.696  18.696
  483   2HZ   LYS  72           HZ3      LYS  72   6.706  19.526  19.526
  484   3HZ   LYS  72           HZ2      LYS  72   8.205  20.302  20.302
  485    H    GLU  73           HN       GLU  73   9.686  16.410  16.410
  486    HA   GLU  73           HA       GLU  73  12.303  16.110  16.110
  487   1HB   GLU  73           HB2      GLU  73  11.519  17.983  17.983
  488   2HB   GLU  73           HB1      GLU  73  11.300  18.356  18.356
  489   1HG   GLU  73           HG2      GLU  73   9.021  18.311  18.311
  490   2HG   GLU  73           HG1      GLU  73   9.017  16.968  16.968
  491    H    ALA  74           HN       ALA  74  10.576  16.820  16.820
  492    HA   ALA  74           HA       ALA  74  10.362  14.009  14.009
  493   1HB   ALA  74           HB3      ALA  74  11.333  16.155  16.155
  494   2HB   ALA  74           HB2      ALA  74   9.656  16.229  16.229
  495   3HB   ALA  74           HB1      ALA  74  10.616  14.781  14.781
  496    H    GLY  75           HN       GLY  75   8.459  12.963  12.963
  497   1HA   GLY  75           HA2      GLY  75   5.974  14.470  14.470
  498   2HA   GLY  75           HA1      GLY  75   6.136  13.719  13.719
  499    H    ASP  76           HN       ASP  76   4.133  13.057  13.057
  500    HA   ASP  76           HA       ASP  76   4.915  10.260  10.260
  501   1HB   ASP  76           HB2      ASP  76   3.286  10.320  10.320
  502   2HB   ASP  76           HB1      ASP  76   4.211  11.815  11.815
  503    H    TYR  77           HN       TYR  77   3.272   8.665   8.665
  504    HA   TYR  77           HA       TYR  77   1.535   9.579   9.579
  505   1HB   TYR  77           HB2      TYR  77   2.373   6.733   6.733
  506   2HB   TYR  77           HB1      TYR  77   1.809   7.508   7.508
  507    HD1  TYR  77           HD2      TYR  77   3.441  10.029  10.029
  508    HD2  TYR  77           HD1      TYR  77   4.463   5.903   5.903
  509    HE1  TYR  77           HE2      TYR  77   5.755  10.511  10.511
  510    HE2  TYR  77           HE1      TYR  77   6.776   6.372   6.372
  511    HH   TYR  77           HH       TYR  77   7.686   9.009   9.009
  512    H    VAL  78           HN       VAL  78  -0.545   9.150   9.150
  513    HA   VAL  78           HA       VAL  78  -1.586   7.433   7.433
  514    HB   VAL  78           HB       VAL  78  -2.467   9.567   9.567
  515   1HG1  VAL  78          HG11      VAL  78  -2.650   9.810   9.810
  516   2HG1  VAL  78          HG13      VAL  78  -3.558  10.892  10.892
  517   3HG1  VAL  78          HG12      VAL  78  -1.796  10.856  10.856
  518   1HG2  VAL  78          HG22      VAL  78  -4.455   8.176   8.176
  519   2HG2  VAL  78          HG21      VAL  78  -4.221   7.860   7.860
  520   3HG2  VAL  78          HG23      VAL  78  -4.860   9.415   9.415
  521    H    ILE  79           HN       ILE  79  -2.598   5.655   5.655
  522    HA   ILE  79           HA       ILE  79  -3.035   5.515   5.515
  523    HB   ILE  79           HB       ILE  79  -3.214   3.015   3.015
  524   1HG1  ILE  79          HG12      ILE  79  -1.447   4.107   4.107
  525   2HG1  ILE  79          HG11      ILE  79  -0.725   2.882   2.882
  526   1HG2  ILE  79          HG23      ILE  79  -3.130   3.378   3.378
  527   2HG2  ILE  79          HG22      ILE  79  -1.413   3.713   3.713
  528   3HG2  ILE  79          HG21      ILE  79  -2.070   2.137   2.137
  529   1HD1  ILE  79          HD12      ILE  79  -0.982   5.554   5.554
  530   2HD1  ILE  79          HD11      ILE  79   0.132   5.477   5.477
  531   3HD1  ILE  79          HD13      ILE  79   0.373   4.425   4.425
  532    H    ASN  80           HN       ASN  80  -4.772   4.369   4.369
  533    HA   ASN  80           HA       ASN  80  -7.131   3.938   3.938
  534   1HB   ASN  80           HB2      ASN  80  -7.411   5.686   5.686
  535   2HB   ASN  80           HB1      ASN  80  -8.519   5.488   5.488
  536   1HD2  ASN  80          HD22      ASN  80  -6.907   7.883   7.883
  537   2HD2  ASN  80          HD21      ASN  80  -8.049   6.629   6.629
  538    H    LEU  81           HN       LEU  81  -7.638   1.931   1.931
  539    HA   LEU  81           HA       LEU  81  -7.927   1.360   1.360
  540   1HB   LEU  81           HB2      LEU  81  -5.838   0.313   0.313
  541   2HB   LEU  81           HB1      LEU  81  -6.228  -0.162  -0.162
  542    HG   LEU  81           HG       LEU  81  -7.920  -1.249  -1.249
  543   1HD1  LEU  81          HD11      LEU  81  -5.186  -1.471  -1.471
  544   2HD1  LEU  81          HD13      LEU  81  -5.607  -2.908  -2.908
  545   3HD1  LEU  81          HD12      LEU  81  -6.339  -2.636  -2.636
  546   1HD2  LEU  81          HD22      LEU  81  -7.068  -1.947  -1.947
  547   2HD2  LEU  81          HD21      LEU  81  -8.678  -1.980  -1.980
  548   3HD2  LEU  81          HD23      LEU  81  -7.523  -3.256  -3.256
  549    H    THR  82           HN       THR  82  -9.880   0.443   0.443
  550    HA   THR  82           HA       THR  82 -11.144  -1.051  -1.051
  551    HB   THR  82           HB       THR  82 -13.254   0.288   0.288
  552    HG1  THR  82           HG1      THR  82 -11.483   1.368   1.368
  553   1HG2  THR  82          HG22      THR  82 -11.033   0.855   0.855
  554   2HG2  THR  82          HG21      THR  82 -11.530   2.392   2.392
  555   3HG2  THR  82          HG23      THR  82 -12.688   1.427   1.427
  556    H    LEU  83           HN       LEU  83 -12.391  -2.749  -2.749
  557    HA   LEU  83           HA       LEU  83 -13.127  -2.908  -2.908
  558   1HB   LEU  83           HB2      LEU  83 -11.019  -4.247  -4.247
  559   2HB   LEU  83           HB1      LEU  83 -12.023  -5.286  -5.286
  560    HG   LEU  83           HG       LEU  83 -11.611  -6.006  -6.006
  561   1HD1  LEU  83          HD13      LEU  83 -13.425  -6.784  -6.784
  562   2HD1  LEU  83          HD12      LEU  83 -14.528  -5.813  -5.813
  563   3HD1  LEU  83          HD11      LEU  83 -13.654  -7.159  -7.159
  564   1HD2  LEU  83          HD23      LEU  83 -12.166  -3.712  -3.712
  565   2HD2  LEU  83          HD22      LEU  83 -13.098  -5.015  -5.015
  566   3HD2  LEU  83          HD21      LEU  83 -13.840  -3.985  -3.985
  567    H    ASP  84           HN       ASP  84 -15.187  -2.234  -2.234
  568    HA   ASP  84           HA       ASP  84 -17.310  -3.747  -3.747
  569   1HB   ASP  84           HB2      ASP  84 -15.775  -4.792  -4.792
  570   2HB   ASP  84           HB1      ASP  84 -17.537  -4.798  -4.798
  571    H    GLY  85           HN       GLY  85 -15.497  -1.623  -1.623
  572   1HA   GLY  85           HA2      GLY  85 -16.923   0.530   0.530
  573   2HA   GLY  85           HA1      GLY  85 -17.987  -0.557  -0.557
  574    H    ASP  86           HN       ASP  86 -15.004  -1.842  -1.842
  575    HA   ASP  86           HA       ASP  86 -14.509  -0.033  -0.033
  576   1HB   ASP  86           HB2      ASP  86 -14.749  -3.018  -3.018
  577   2HB   ASP  86           HB1      ASP  86 -13.562  -2.345  -2.345
  578    H    ASN  87           HN       ASN  87 -12.085  -0.425  -0.425
  579    HA   ASN  87           HA       ASN  87 -10.478  -0.734  -0.734
  580   1HB   ASN  87           HB2      ASN  87  -8.936   0.551   0.551
  581   2HB   ASN  87           HB1      ASN  87  -9.499   1.232   1.232
  582   1HD2  ASN  87          HD22      ASN  87 -11.246   2.379   2.379
  583   2HD2  ASN  87          HD21      ASN  87  -9.911   1.331   1.331
  584    H    VAL  88           HN       VAL  88  -8.307  -1.623  -1.623
  585    HA   VAL  88           HA       VAL  88  -8.457  -4.060  -4.060
  586    HB   VAL  88           HB       VAL  88  -6.243  -2.648  -2.648
  587   1HG1  VAL  88          HG12      VAL  88  -5.993  -5.243  -5.243
  588   2HG1  VAL  88          HG11      VAL  88  -4.780  -4.587  -4.587
  589   3HG1  VAL  88          HG13      VAL  88  -5.173  -3.733  -3.733
  590   1HG2  VAL  88          HG23      VAL  88  -8.136  -3.994  -3.994
  591   2HG2  VAL  88          HG22      VAL  88  -6.496  -4.476  -4.476
  592   3HG2  VAL  88          HG21      VAL  88  -7.409  -5.412  -5.412
  593    H    ASN  89           HN       ASN  89  -6.669  -4.646  -4.646
  594    HA   ASN  89           HA       ASN  89  -6.870  -2.646  -2.646
  595   1HB   ASN  89           HB2      ASN  89  -7.104  -5.181  -5.181
  596   2HB   ASN  89           HB1      ASN  89  -5.346  -5.245  -5.245
  597   1HD2  ASN  89          HD22      ASN  89  -5.103  -4.597  -4.597
  598   2HD2  ASN  89          HD21      ASN  89  -4.634  -5.558  -5.558
  599    H    GLY  90           HN       GLY  90  -5.051  -2.169  -2.169
  600   1HA   GLY  90           HA2      GLY  90  -2.718  -1.316  -1.316
  601   2HA   GLY  90           HA1      GLY  90  -2.394  -2.299  -2.299
  602    H    PHE  91           HN       PHE  91  -5.120  -0.229  -0.229
  603    HA   PHE  91           HA       PHE  91  -3.577   1.567   1.567
  604   1HB   PHE  91           HB2      PHE  91  -6.185   0.247   0.247
  605   2HB   PHE  91           HB1      PHE  91  -6.118   1.917   1.917
  606    HD1  PHE  91           HD2      PHE  91  -4.293  -1.322  -1.322
  607    HD2  PHE  91           HD1      PHE  91  -5.068   2.423   2.423
  608    HE1  PHE  91           HE2      PHE  91  -2.964  -2.039  -2.039
  609    HE2  PHE  91           HE1      PHE  91  -3.739   1.730   1.730
  610    HZ   PHE  91           HZ       PHE  91  -2.698  -0.532  -0.532
  611    HA   PRO  92           HA       PRO  92  -6.426   4.564   4.564
  612   1HB   PRO  92           HB2      PRO  92  -7.438   3.771   3.771
  613   2HB   PRO  92           HB1      PRO  92  -8.332   3.643   3.643
  614   1HG   PRO  92           HG2      PRO  92  -7.017   1.495   1.495
  615   2HG   PRO  92           HG1      PRO  92  -8.385   1.384   1.384
  616   1HD   PRO  92           HD2      PRO  92  -5.721   0.644   0.644
  617   2HD   PRO  92           HD1      PRO  92  -7.007   0.854   0.854
  618    H    LYS  93           HN       LYS  93  -3.766   2.969   2.969
  619    HA   LYS  93           HA       LYS  93  -3.033   4.374   4.374
  620   1HB   LYS  93           HB2      LYS  93  -2.578   1.866   1.866
  621   2HB   LYS  93           HB1      LYS  93  -1.361   2.386   2.386
  622   1HG   LYS  93           HG2      LYS  93  -0.016   3.370   3.370
  623   2HG   LYS  93           HG1      LYS  93  -1.364   3.585   3.585
  624   1HD   LYS  93           HD2      LYS  93  -0.831   0.775   0.775
  625   2HD   LYS  93           HD1      LYS  93   0.492   1.564   1.564
  626   1HE   LYS  93           HE2      LYS  93  -1.877   2.394   2.394
  627   2HE   LYS  93           HE1      LYS  93  -2.052   0.659   0.659
  628   1HZ   LYS  93           HZ1      LYS  93   0.576   1.399   1.399
  629   2HZ   LYS  93           HZ3      LYS  93  -0.623   1.826   1.826
  630   3HZ   LYS  93           HZ2      LYS  93  -0.475   0.212   0.212
  631    H    THR  94           HN       THR  94  -0.715   5.234   5.234
  632    HA   THR  94           HA       THR  94  -0.304   6.563   6.563
  633    HB   THR  94           HB       THR  94   0.079   7.799   7.799
  634    HG1  THR  94           HG1      THR  94  -2.129   7.386   7.386
  635   1HG2  THR  94          HG21      THR  94   0.207   8.935   8.935
  636   2HG2  THR  94          HG23      THR  94   0.326   9.880   9.880
  637   3HG2  THR  94          HG22      THR  94   1.572   8.696   8.696
  638    H    VAL  95           HN       VAL  95   1.676   6.391   6.391
  639    HA   VAL  95           HA       VAL  95   3.761   5.270   5.270
  640    HB   VAL  95           HB       VAL  95   3.357   5.215   5.215
  641   1HG1  VAL  95          HG11      VAL  95   5.987   4.941   4.941
  642   2HG1  VAL  95          HG13      VAL  95   5.684   4.209   4.209
  643   3HG1  VAL  95          HG12      VAL  95   5.622   5.959   5.959
  644   1HG2  VAL  95          HG23      VAL  95   3.327   3.397   3.397
  645   2HG2  VAL  95          HG22      VAL  95   2.820   3.112   3.112
  646   3HG2  VAL  95          HG21      VAL  95   4.504   2.867   2.867
  647    H    THR  96           HN       THR  96   5.940   6.306   6.306
  648    HA   THR  96           HA       THR  96   5.674   9.199   9.199
  649    HB   THR  96           HB       THR  96   7.020   7.906   7.906
  650    HG1  THR  96           HG1      THR  96   5.471   9.641   9.641
  651   1HG2  THR  96          HG23      THR  96   7.140  10.716  10.716
  652   2HG2  THR  96          HG22      THR  96   7.388  10.380  10.380
  653   3HG2  THR  96          HG21      THR  96   8.472   9.680   9.680
  654    H    VAL  97           HN       VAL  97   7.410  10.316  10.316
  655    HA   VAL  97           HA       VAL  97   9.939   8.859   8.859
  656    HB   VAL  97           HB       VAL  97   8.142  10.265  10.265
  657   1HG1  VAL  97          HG12      VAL  97  11.163  10.109  10.109
  658   2HG1  VAL  97          HG11      VAL  97  10.146  10.407  10.407
  659   3HG1  VAL  97          HG13      VAL  97  10.170  11.567  11.567
  660   1HG2  VAL  97          HG23      VAL  97   9.753   7.745   7.745
  661   2HG2  VAL  97          HG22      VAL  97   8.090   7.956   7.956
  662   3HG2  VAL  97          HG21      VAL  97   9.424   8.414   8.414
  663    H    LYS  98           HN       LYS  98  11.777  10.226  10.226
  664    HA   LYS  98           HA       LYS  98  11.319  12.747  12.747
  665   1HB   LYS  98           HB2      LYS  98  14.102  11.941  11.941
  666   2HB   LYS  98           HB1      LYS  98  13.299  12.295  12.295
  667   1HG   LYS  98           HG2      LYS  98  12.119   9.979   9.979
  668   2HG   LYS  98           HG1      LYS  98  13.493   9.685   9.685
  669   1HD   LYS  98           HD2      LYS  98  14.998   9.613   9.613
  670   2HD   LYS  98           HD1      LYS  98  14.112  10.801  10.801
  671   1HE   LYS  98           HE2      LYS  98  13.158   7.963   7.963
  672   2HE   LYS  98           HE1      LYS  98  14.050   8.479   8.479
  673   1HZ   LYS  98           HZ1      LYS  98  12.279  10.201  10.201
  674   2HZ   LYS  98           HZ3      LYS  98  11.388   9.411   9.411
  675   3HZ   LYS  98           HZ2      LYS  98  11.771   8.598   8.598
  676    HA   PRO  99           HA       PRO  99  12.639  15.530  15.530
  677   1HB   PRO  99           HB2      PRO  99  15.000  16.707  16.707
  678   2HB   PRO  99           HB1      PRO  99  13.398  17.121  17.121
  679   1HG   PRO  99           HG2      PRO  99  15.551  15.468  15.468
  680   2HG   PRO  99           HG1      PRO  99  14.317  16.478  16.478
  681   1HD   PRO  99           HD2      PRO  99  14.208  13.707  13.707
  682   2HD   PRO  99           HD1      PRO  99  12.796  14.746  14.746
  683    H    ALA 100           HN       ALA 100  12.948  13.842  13.842
  684    HA   ALA 100           HA       ALA 100  15.036  12.250  12.250
  685   1HB   ALA 100           HB2      ALA 100  12.816  12.878  12.878
  686   2HB   ALA 100           HB1      ALA 100  13.854  13.974  13.974
  687   3HB   ALA 100           HB3      ALA 100  14.176  12.240  12.240

  Start of MODEL   15
    1   1H    ALA   1           HT2      ALA   1 -17.881  -8.046  -8.046
    2   2H    ALA   1           HT1      ALA   1 -19.160  -8.453  -8.453
    3   3H    ALA   1           HT3      ALA   1 -18.634  -9.563  -9.563
    4    HA   ALA   1           HA       ALA   1 -17.594 -10.421 -10.421
    5   1HB   ALA   1           HB2      ALA   1 -17.826  -7.615  -7.615
    6   2HB   ALA   1           HB1      ALA   1 -16.428  -8.502  -8.502
    7   3HB   ALA   1           HB3      ALA   1 -18.056  -9.117  -9.117
    8    H    ASP   2           HN       ASP   2 -15.707 -11.252 -11.252
    9    HA   ASP   2           HA       ASP   2 -13.625 -11.396 -11.396
   10   1HB   ASP   2           HB2      ASP   2 -12.964 -10.587 -10.587
   11   2HB   ASP   2           HB1      ASP   2 -13.284  -8.928  -8.928
   12    HA   PRO   3           HA       PRO   3 -14.515  -7.832  -7.832
   13   1HB   PRO   3           HB2      PRO   3 -16.044  -9.157  -9.157
   14   2HB   PRO   3           HB1      PRO   3 -16.747  -8.284  -8.284
   15   1HG   PRO   3           HG2      PRO   3 -16.468 -11.225 -11.225
   16   2HG   PRO   3           HG1      PRO   3 -17.652 -10.335 -10.335
   17   1HD   PRO   3           HD2      PRO   3 -15.359 -11.687 -11.687
   18   2HD   PRO   3           HD1      PRO   3 -16.384 -10.549 -10.549
   19    H    GLU   4           HN       GLU   4 -13.078 -10.791 -10.791
   20    HA   GLU   4           HA       GLU   4 -11.602 -10.474 -10.474
   21   1HB   GLU   4           HB2      GLU   4 -13.552 -12.474 -12.474
   22   2HB   GLU   4           HB1      GLU   4 -11.972 -13.223 -13.223
   23   1HG   GLU   4           HG2      GLU   4 -12.121 -12.954 -12.954
   24   2HG   GLU   4           HG1      GLU   4 -12.404 -11.225 -11.225
   25    H    LYS   5           HN       LYS   5 -11.174 -10.465 -10.465
   26    HA   LYS   5           HA       LYS   5  -8.573 -11.854 -11.854
   27   1HB   LYS   5           HB2      LYS   5 -10.581 -13.299 -13.299
   28   2HB   LYS   5           HB1      LYS   5 -10.149 -12.382 -12.382
   29   1HG   LYS   5           HG2      LYS   5  -8.830 -14.399 -14.399
   30   2HG   LYS   5           HG1      LYS   5  -7.747 -13.068 -13.068
   31   1HD   LYS   5           HD2      LYS   5  -7.415 -13.818 -13.818
   32   2HD   LYS   5           HD1      LYS   5  -9.079 -14.376 -14.376
   33   1HE   LYS   5           HE2      LYS   5  -6.851 -15.770 -15.770
   34   2HE   LYS   5           HE1      LYS   5  -7.617 -16.317 -16.317
   35   1HZ   LYS   5           HZ1      LYS   5  -9.757 -16.087 -16.087
   36   2HZ   LYS   5           HZ3      LYS   5  -8.644 -16.338 -16.338
   37   3HZ   LYS   5           HZ2      LYS   5  -8.811 -17.498 -17.498
   38    H    SER   6           HN       SER   6  -9.312  -9.122  -9.122
   39    HA   SER   6           HA       SER   6  -8.364  -8.310  -8.310
   40   1HB   SER   6           HB2      SER   6  -9.675  -6.435  -6.435
   41   2HB   SER   6           HB1      SER   6  -9.567  -6.302  -6.302
   42    HG   SER   6           HG       SER   6 -11.298  -7.477  -7.477
   43    H    TYR   7           HN       TYR   7  -6.229  -7.850  -7.850
   44    HA   TYR   7           HA       TYR   7  -5.287  -6.113  -6.113
   45   1HB   TYR   7           HB2      TYR   7  -3.150  -7.699  -7.699
   46   2HB   TYR   7           HB1      TYR   7  -4.523  -8.064  -8.064
   47    HD1  TYR   7           HD2      TYR   7  -3.216  -8.692  -8.692
   48    HD2  TYR   7           HD1      TYR   7  -5.642 -10.114 -10.114
   49    HE1  TYR   7           HE2      TYR   7  -3.563 -10.835 -10.835
   50    HE2  TYR   7           HE1      TYR   7  -5.988 -12.257 -12.257
   51    HH   TYR   7           HH       TYR   7  -5.581 -13.420 -13.420
   52    H    ALA   8           HN       ALA   8  -3.545  -4.788  -4.788
   53    HA   ALA   8           HA       ALA   8  -2.584  -4.938  -4.938
   54   1HB   ALA   8           HB2      ALA   8  -4.135  -2.922  -2.922
   55   2HB   ALA   8           HB1      ALA   8  -2.529  -2.319  -2.319
   56   3HB   ALA   8           HB3      ALA   8  -2.927  -2.702  -2.702
   57    H    GLU   9           HN       GLU   9  -0.395  -5.219  -5.219
   58    HA   GLU   9           HA       GLU   9   1.247  -4.059  -4.059
   59   1HB   GLU   9           HB2      GLU   9   1.530  -6.929  -6.929
   60   2HB   GLU   9           HB1      GLU   9   2.478  -6.139  -6.139
   61   1HG   GLU   9           HG2      GLU   9  -0.071  -5.671  -5.671
   62   2HG   GLU   9           HG1      GLU   9  -0.251  -7.254  -7.254
   63    H    GLY  10           HN       GLY  10   3.266  -3.418  -3.418
   64   1HA   GLY  10           HA2      GLY  10   4.463  -4.271  -4.271
   65   2HA   GLY  10           HA1      GLY  10   3.828  -2.631  -2.631
   66    HA   PRO  11           HA       PRO  11   8.022  -2.526  -2.526
   67   1HB   PRO  11           HB2      PRO  11   9.430  -1.518  -1.518
   68   2HB   PRO  11           HB1      PRO  11   9.292  -3.253  -3.253
   69   1HG   PRO  11           HG2      PRO  11   7.941  -1.638  -1.638
   70   2HG   PRO  11           HG1      PRO  11   8.341  -3.364  -3.364
   71   1HD   PRO  11           HD2      PRO  11   5.784  -2.254  -2.254
   72   2HD   PRO  11           HD1      PRO  11   6.275  -3.928  -3.928
   73    H    GLY  12           HN       GLY  12   5.603  -0.665  -0.665
   74   1HA   GLY  12           HA2      GLY  12   6.978   1.913   1.913
   75   2HA   GLY  12           HA1      GLY  12   5.613   1.752   1.752
   76    H    LEU  13           HN       LEU  13   5.984   3.294   3.294
   77    HA   LEU  13           HA       LEU  13   4.152   4.104   4.104
   78   1HB   LEU  13           HB2      LEU  13   2.218   3.033   3.033
   79   2HB   LEU  13           HB1      LEU  13   2.847   1.948   1.948
   80    HG   LEU  13           HG       LEU  13   3.257   1.479   1.479
   81   1HD1  LEU  13          HD12      LEU  13   0.807   1.653   1.653
   82   2HD1  LEU  13          HD11      LEU  13   1.180  -0.031  -0.031
   83   3HD1  LEU  13          HD13      LEU  13   1.213   0.534   0.534
   84   1HD2  LEU  13          HD22      LEU  13   4.655   0.181   0.181
   85   2HD2  LEU  13          HD21      LEU  13   3.626  -0.831  -0.831
   86   3HD2  LEU  13          HD23      LEU  13   3.156  -0.481  -0.481
   87    H    ASP  14           HN       ASP  14   6.298   1.521   1.521
   88    HA   ASP  14           HA       ASP  14   6.116   1.124   1.124
   89   1HB   ASP  14           HB2      ASP  14   8.770   1.528   1.528
   90   2HB   ASP  14           HB1      ASP  14   8.348   0.386   0.386
   91    H    GLY  15           HN       GLY  15   6.995   3.890   3.890
   92   1HA   GLY  15           HA2      GLY  15   7.307   6.118   6.118
   93   2HA   GLY  15           HA1      GLY  15   7.168   5.550   5.550
   94    H    GLY  16           HN       GLY  16   8.921   6.119   6.119
   95   1HA   GLY  16           HA2      GLY  16  11.186   6.307   6.307
   96   2HA   GLY  16           HA1      GLY  16  11.513   5.076   5.076
   97    H    GLU  17           HN       GLU  17  11.010   6.203   6.203
   98    HA   GLU  17           HA       GLU  17  12.530   8.772   8.772
   99   1HB   GLU  17           HB2      GLU  17  12.983   6.337   6.337
  100   2HB   GLU  17           HB1      GLU  17  13.590   7.909   7.909
  101   1HG   GLU  17           HG2      GLU  17  14.991   8.076   8.076
  102   2HG   GLU  17           HG1      GLU  17  14.126   6.796   6.796
  103    H    CYS  18           HN       CYS  18  11.963  10.275  10.275
  104    HA   CYS  18           HA       CYS  18   9.402   9.917   9.917
  105   1HB   CYS  18           HB2      CYS  18  11.095  12.271  12.271
  106   2HB   CYS  18           HB1      CYS  18  10.136  12.388  12.388
  107    HG   CYS  18           HG       CYS  18   8.449  13.126  13.126
  108    H    PHE  19           HN       PHE  19  12.788   9.895   9.895
  109    HA   PHE  19           HA       PHE  19  12.323  10.417  10.417
  110   1HB   PHE  19           HB2      PHE  19  14.800   9.940   9.940
  111   2HB   PHE  19           HB1      PHE  19  14.849   9.969   9.969
  112    HD1  PHE  19           HD2      PHE  19  13.565  11.923  11.923
  113    HD2  PHE  19           HD1      PHE  19  14.897  11.979  11.979
  114    HE1  PHE  19           HE2      PHE  19  13.333  14.388  14.388
  115    HE2  PHE  19           HE1      PHE  19  14.651  14.446  14.446
  116    HZ   PHE  19           HZ       PHE  19  13.844  15.634  15.634
  117    H    GLN  20           HN       GLN  20  11.499   7.966   7.966
  118    HA   GLN  20           HA       GLN  20  12.614   5.865   5.865
  119   1HB   GLN  20           HB2      GLN  20  11.915   5.898   5.898
  120   2HB   GLN  20           HB1      GLN  20  10.698   4.906   4.906
  121   1HG   GLN  20           HG2      GLN  20  12.327   3.416   3.416
  122   2HG   GLN  20           HG1      GLN  20  13.648   4.536   4.536
  123   1HE2  GLN  20          HE22      GLN  20  13.695   1.991   1.991
  124   2HE2  GLN  20          HE21      GLN  20  13.941   1.986   1.986
  125    HA   PRO  21           HA       PRO  21   8.902   6.417   6.417
  126   1HB   PRO  21           HB2      PRO  21   8.964   4.037   4.037
  127   2HB   PRO  21           HB1      PRO  21   9.950   5.452   5.452
  128   1HG   PRO  21           HG2      PRO  21  10.768   2.927   2.927
  129   2HG   PRO  21           HG1      PRO  21  11.719   3.990   3.990
  130   1HD   PRO  21           HD2      PRO  21  11.897   3.954   3.954
  131   2HD   PRO  21           HD1      PRO  21  12.411   5.311   5.311
  132    H    SER  22           HN       SER  22   6.748   5.960   5.960
  133    HA   SER  22           HA       SER  22   6.368   3.654   3.654
  134   1HB   SER  22           HB2      SER  22   4.325   5.726   5.726
  135   2HB   SER  22           HB1      SER  22   4.527   4.751   4.751
  136    HG   SER  22           HG       SER  22   5.536   6.467   6.467
  137    H    LYS  23           HN       LYS  23   5.751   1.870   1.870
  138    HA   LYS  23           HA       LYS  23   3.371   2.146   2.146
  139   1HB   LYS  23           HB2      LYS  23   5.840   0.662   0.662
  140   2HB   LYS  23           HB1      LYS  23   4.336   0.824   0.824
  141   1HG   LYS  23           HG2      LYS  23   5.279   2.616   2.616
  142   2HG   LYS  23           HG1      LYS  23   5.017   3.452   3.452
  143   1HD   LYS  23           HD2      LYS  23   7.353   3.693   3.693
  144   2HD   LYS  23           HD1      LYS  23   7.254   2.654   2.654
  145   1HE   LYS  23           HE2      LYS  23   8.567   1.265   1.265
  146   2HE   LYS  23           HE1      LYS  23   7.026   0.798   0.798
  147   1HZ   LYS  23           HZ1      LYS  23   7.960   3.142   3.142
  148   2HZ   LYS  23           HZ3      LYS  23   9.205   1.991   1.991
  149   3HZ   LYS  23           HZ2      LYS  23   7.691   1.613   1.613
  150    H    PHE  24           HN       PHE  24   2.022   0.539   0.539
  151    HA   PHE  24           HA       PHE  24   3.092  -2.026  -2.026
  152   1HB   PHE  24           HB2      PHE  24   0.708  -1.542  -1.542
  153   2HB   PHE  24           HB1      PHE  24   2.345  -1.721  -1.721
  154    HD1  PHE  24           HD1      PHE  24   3.869   0.424   0.424
  155    HD2  PHE  24           HD2      PHE  24  -0.408   0.435   0.435
  156    HE1  PHE  24           HE1      PHE  24   3.927   2.827   2.827
  157    HE2  PHE  24           HE2      PHE  24  -0.353   2.844   2.844
  158    HZ   PHE  24           HZ       PHE  24   1.827   4.034   4.034
  159    H    LYS  25           HN       LYS  25   1.485  -3.790  -3.790
  160    HA   LYS  25           HA       LYS  25  -0.532  -3.153  -3.153
  161   1HB   LYS  25           HB2      LYS  25   0.598  -5.904  -5.904
  162   2HB   LYS  25           HB1      LYS  25  -0.172  -5.290  -5.290
  163   1HG   LYS  25           HG2      LYS  25   1.755  -3.706  -3.706
  164   2HG   LYS  25           HG1      LYS  25   2.542  -4.500  -4.500
  165   1HD   LYS  25           HD2      LYS  25   2.182  -6.695  -6.695
  166   2HD   LYS  25           HD1      LYS  25   1.870  -5.657  -5.657
  167   1HE   LYS  25           HE2      LYS  25   4.364  -5.437  -5.437
  168   2HE   LYS  25           HE1      LYS  25   4.277  -6.412  -6.412
  169   1HZ   LYS  25           HZ1      LYS  25   3.287  -3.714  -3.714
  170   2HZ   LYS  25           HZ3      LYS  25   4.944  -3.816  -3.816
  171   3HZ   LYS  25           HZ2      LYS  25   4.309  -4.611  -4.611
  172    H    ILE  26           HN       ILE  26  -2.634  -3.907  -3.907
  173    HA   ILE  26           HA       ILE  26  -3.178  -4.862  -4.862
  174    HB   ILE  26           HB       ILE  26  -5.248  -3.844  -3.844
  175   1HG1  ILE  26          HG12      ILE  26  -3.576  -2.104  -2.104
  176   2HG1  ILE  26          HG11      ILE  26  -3.277  -2.254  -2.254
  177   1HG2  ILE  26          HG22      ILE  26  -5.791  -4.902  -4.902
  178   2HG2  ILE  26          HG21      ILE  26  -5.006  -3.505  -3.505
  179   3HG2  ILE  26          HG23      ILE  26  -6.441  -3.283  -3.283
  180   1HD1  ILE  26          HD12      ILE  26  -6.067  -1.643  -1.643
  181   2HD1  ILE  26          HD11      ILE  26  -4.877  -0.354  -0.354
  182   3HD1  ILE  26          HD13      ILE  26  -5.159  -1.069  -1.069
  183    H    HIS  27           HN       HIS  27  -4.573  -6.634  -6.634
  184    HA   HIS  27           HA       HIS  27  -5.322  -8.162  -8.162
  185   1HB   HIS  27           HB2      HIS  27  -4.037  -9.508  -9.508
  186   2HB   HIS  27           HB1      HIS  27  -4.347 -10.191 -10.191
  187    HD1  HIS  27           HD1      HIS  27  -2.474  -7.140  -7.140
  188    HD2  HIS  27           HD2      HIS  27  -2.039 -10.180 -10.180
  189    HE1  HIS  27           HE1      HIS  27  -0.253  -6.754  -6.754
  190    H    ALA  28           HN       ALA  28  -7.471  -8.386  -8.386
  191    HA   ALA  28           HA       ALA  28  -8.651  -8.724  -8.724
  192   1HB   ALA  28           HB2      ALA  28  -9.631  -7.603  -7.603
  193   2HB   ALA  28           HB1      ALA  28 -10.813  -8.316  -8.316
  194   3HB   ALA  28           HB3      ALA  28  -9.813  -6.964  -6.964
  195    H    VAL  29           HN       VAL  29  -9.967 -10.531 -10.531
  196    HA   VAL  29           HA       VAL  29 -10.302 -12.554 -12.554
  197    HB   VAL  29           HB       VAL  29  -9.014 -12.907 -12.907
  198   1HG1  VAL  29          HG12      VAL  29 -10.524 -15.052 -15.052
  199   2HG1  VAL  29          HG11      VAL  29  -9.437 -15.361 -15.361
  200   3HG1  VAL  29          HG13      VAL  29 -10.923 -14.447 -14.447
  201   1HG2  VAL  29          HG22      VAL  29  -8.458 -13.461 -13.461
  202   2HG2  VAL  29          HG21      VAL  29  -7.347 -13.016 -13.016
  203   3HG2  VAL  29          HG23      VAL  29  -7.898 -14.685 -14.685
  204    H    ASP  30           HN       ASP  30 -12.388 -12.976 -12.976
  205    HA   ASP  30           HA       ASP  30 -14.242 -12.524 -12.524
  206   1HB   ASP  30           HB2      ASP  30 -14.303 -11.875 -11.875
  207   2HB   ASP  30           HB1      ASP  30 -15.625 -12.979 -12.979
  208    HA   PRO  31           HA       PRO  31 -15.310 -16.772 -16.772
  209   1HB   PRO  31           HB2      PRO  31 -18.044 -16.888 -16.888
  210   2HB   PRO  31           HB1      PRO  31 -17.201 -16.301 -16.301
  211   1HG   PRO  31           HG2      PRO  31 -18.654 -14.748 -14.748
  212   2HG   PRO  31           HG1      PRO  31 -18.332 -14.330 -14.330
  213   1HD   PRO  31           HD2      PRO  31 -16.943 -13.343 -13.343
  214   2HD   PRO  31           HD1      PRO  31 -16.451 -13.151 -13.151
  215    H    ASP  32           HN       ASP  32 -14.733 -15.933 -15.933
  216    HA   ASP  32           HA       ASP  32 -16.239 -18.203 -18.203
  217   1HB   ASP  32           HB2      ASP  32 -16.186 -15.383 -15.383
  218   2HB   ASP  32           HB1      ASP  32 -15.754 -16.491 -16.491
  219    H    GLY  33           HN       GLY  33 -13.338 -17.436 -17.436
  220   1HA   GLY  33           HA2      GLY  33 -11.197 -18.247 -18.247
  221   2HA   GLY  33           HA1      GLY  33 -11.935 -19.082 -19.082
  222    H    VAL  34           HN       VAL  34 -12.349 -15.691 -15.691
  223    HA   VAL  34           HA       VAL  34 -10.495 -14.867 -14.867
  224    HB   VAL  34           HB       VAL  34 -13.255 -13.779 -13.779
  225   1HG1  VAL  34          HG12      VAL  34 -10.932 -14.502 -14.502
  226   2HG1  VAL  34          HG11      VAL  34 -12.533 -14.326 -14.326
  227   3HG1  VAL  34          HG13      VAL  34 -11.794 -12.969 -12.969
  228   1HG2  VAL  34          HG21      VAL  34 -12.529 -16.608 -16.608
  229   2HG2  VAL  34          HG23      VAL  34 -13.783 -16.131 -16.131
  230   3HG2  VAL  34          HG22      VAL  34 -13.957 -15.742 -15.742
  231    H    HIS  35           HN       HIS  35 -10.872 -12.300 -12.300
  232    HA   HIS  35           HA       HIS  35 -10.792 -11.314 -11.314
  233   1HB   HIS  35           HB2      HIS  35 -10.134  -9.857  -9.857
  234   2HB   HIS  35           HB1      HIS  35  -9.774  -9.307  -9.307
  235    HD1  HIS  35           HD1      HIS  35  -7.267  -9.517  -9.517
  236    HD2  HIS  35           HD2      HIS  35  -9.031 -12.936 -12.936
  237    HE1  HIS  35           HE1      HIS  35  -5.423 -11.239 -11.239
  238    H    ARG  36           HN       ARG  36 -13.269 -12.012 -12.012
  239    HA   ARG  36           HA       ARG  36 -15.445 -11.294 -11.294
  240   1HB   ARG  36           HB2      ARG  36 -15.747  -9.378  -9.378
  241   2HB   ARG  36           HB1      ARG  36 -13.994  -9.291  -9.291
  242   1HG   ARG  36           HG2      ARG  36 -14.089  -7.944  -7.944
  243   2HG   ARG  36           HG1      ARG  36 -15.844  -7.918  -7.918
  244   1HD   ARG  36           HD2      ARG  36 -14.176  -7.097  -7.097
  245   2HD   ARG  36           HD1      ARG  36 -14.366  -5.959  -5.959
  246    HE   ARG  36           HE       ARG  36 -16.267  -6.149  -6.149
  247   1HH1  ARG  36          HH11      ARG  36 -17.412  -8.497  -8.497
  248   2HH1  ARG  36          HH12      ARG  36 -18.575  -7.720  -7.720
  249   1HH2  ARG  36          HH21      ARG  36 -17.259  -4.547  -4.547
  250   2HH2  ARG  36          HH22      ARG  36 -18.487  -5.490  -5.490
  251    H    THR  37           HN       THR  37 -15.368 -12.191 -12.191
  252    HA   THR  37           HA       THR  37 -15.635 -12.014 -12.014
  253    HB   THR  37           HB       THR  37 -17.615 -10.821 -10.821
  254    HG1  THR  37           HG1      THR  37 -17.651  -9.344  -9.344
  255   1HG2  THR  37          HG21      THR  37 -17.477 -12.406 -12.406
  256   2HG2  THR  37          HG23      THR  37 -18.489 -11.032 -11.032
  257   3HG2  THR  37          HG22      THR  37 -18.922 -12.034 -12.034
  258    H    ASP  38           HN       ASP  38 -13.419 -11.196 -11.196
  259    HA   ASP  38           HA       ASP  38 -12.478  -8.603  -8.603
  260   1HB   ASP  38           HB2      ASP  38 -11.819 -10.939 -10.939
  261   2HB   ASP  38           HB1      ASP  38 -11.832  -9.585  -9.585
  262    H    GLY  39           HN       GLY  39 -12.291  -6.973  -6.973
  263   1HA   GLY  39           HA2      GLY  39 -13.269  -5.879  -5.879
  264   2HA   GLY  39           HA1      GLY  39 -14.693  -6.905  -6.905
  265    H    GLY  40           HN       GLY  40 -15.244  -6.498  -6.498
  266   1HA   GLY  40           HA2      GLY  40 -15.561  -3.549  -3.549
  267   2HA   GLY  40           HA1      GLY  40 -17.005  -4.560  -4.560
  268    H    ASP  41           HN       ASP  41 -13.769  -4.362  -4.362
  269    HA   ASP  41           HA       ASP  41 -14.944  -5.590  -5.590
  270   1HB   ASP  41           HB2      ASP  41 -12.117  -4.551  -4.551
  271   2HB   ASP  41           HB1      ASP  41 -12.727  -5.847  -5.847
  272    H    GLY  42           HN       GLY  42 -15.433  -4.404  -4.404
  273   1HA   GLY  42           HA2      GLY  42 -15.483  -1.491  -1.491
  274   2HA   GLY  42           HA1      GLY  42 -16.041  -2.419  -2.419
  275    H    PHE  43           HN       PHE  43 -12.904  -2.084  -2.084
  276    HA   PHE  43           HA       PHE  43 -11.566  -1.991  -1.991
  277   1HB   PHE  43           HB2      PHE  43 -10.921  -3.058  -3.058
  278   2HB   PHE  43           HB1      PHE  43  -9.798  -1.727  -1.727
  279    HD1  PHE  43           HD2      PHE  43  -9.892  -1.955  -1.955
  280    HD2  PHE  43           HD1      PHE  43  -9.265  -4.798  -4.798
  281    HE1  PHE  43           HE2      PHE  43  -8.568  -3.384  -3.384
  282    HE2  PHE  43           HE1      PHE  43  -7.938  -6.221  -6.221
  283    HZ   PHE  43           HZ       PHE  43  -7.591  -5.512  -5.512
  284    H    VAL  44           HN       VAL  44 -11.858   0.113   0.113
  285    HA   VAL  44           HA       VAL  44 -10.939   2.294   2.294
  286    HB   VAL  44           HB       VAL  44 -12.835   3.305   3.305
  287   1HG1  VAL  44          HG11      VAL  44 -12.843   1.128   1.128
  288   2HG1  VAL  44          HG13      VAL  44 -13.854   2.539   2.539
  289   3HG1  VAL  44          HG12      VAL  44 -14.071   1.570   1.570
  290   1HG2  VAL  44          HG21      VAL  44 -11.140   4.571   4.571
  291   2HG2  VAL  44          HG23      VAL  44 -12.667   4.506   4.506
  292   3HG2  VAL  44          HG22      VAL  44 -11.329   3.464   3.464
  293    H    VAL  45           HN       VAL  45  -8.835   2.717   2.717
  294    HA   VAL  45           HA       VAL  45  -7.710   2.550   2.550
  295    HB   VAL  45           HB       VAL  45  -6.148   2.168   2.168
  296   1HG1  VAL  45          HG11      VAL  45  -5.647   1.655   1.655
  297   2HG1  VAL  45          HG13      VAL  45  -4.649   0.936   0.936
  298   3HG1  VAL  45          HG12      VAL  45  -4.726   2.689   2.689
  299   1HG2  VAL  45          HG22      VAL  45  -8.094   0.418   0.418
  300   2HG2  VAL  45          HG21      VAL  45  -7.026   0.116   0.116
  301   3HG2  VAL  45          HG23      VAL  45  -6.498  -0.284  -0.284
  302    H    THR  46           HN       THR  46  -6.278   4.222   4.222
  303    HA   THR  46           HA       THR  46  -5.603   6.287   6.287
  304    HB   THR  46           HB       THR  46  -6.889   7.821   7.821
  305    HG1  THR  46           HG1      THR  46  -8.650   6.794   6.794
  306   1HG2  THR  46          HG23      THR  46  -6.595   8.186   8.186
  307   2HG2  THR  46          HG22      THR  46  -7.979   7.117   7.117
  308   3HG2  THR  46          HG21      THR  46  -8.171   8.631   8.631
  309    H    ILE  47           HN       ILE  47  -3.781   7.240   7.240
  310    HA   ILE  47           HA       ILE  47  -2.948   7.112   7.112
  311    HB   ILE  47           HB       ILE  47  -1.378   6.674   6.674
  312   1HG1  ILE  47          HG12      ILE  47  -1.956   5.223   5.223
  313   2HG1  ILE  47          HG11      ILE  47  -1.605   4.588   4.588
  314   1HG2  ILE  47          HG22      ILE  47  -0.269   7.703   7.703
  315   2HG2  ILE  47          HG21      ILE  47   0.708   7.097   7.097
  316   3HG2  ILE  47          HG23      ILE  47  -0.250   8.553   8.553
  317   1HD1  ILE  47          HD11      ILE  47   0.808   5.462   5.462
  318   2HD1  ILE  47          HD13      ILE  47   0.335   5.503   5.503
  319   3HD1  ILE  47          HD12      ILE  47   0.312   3.978   3.978
  320    H    GLU  48           HN       GLU  48  -1.673   8.958   8.958
  321    HA   GLU  48           HA       GLU  48  -1.164  11.106  11.106
  322   1HB   GLU  48           HB2      GLU  48  -2.868  12.675  12.675
  323   2HB   GLU  48           HB1      GLU  48  -3.365  11.795  11.795
  324   1HG   GLU  48           HG2      GLU  48  -4.192   9.944   9.944
  325   2HG   GLU  48           HG1      GLU  48  -3.742  10.869  10.869
  326    H    GLY  49           HN       GLY  49  -0.131  12.869  12.869
  327   1HA   GLY  49           HA2      GLY  49   0.298  12.973  12.973
  328   2HA   GLY  49           HA1      GLY  49   1.721  12.494  12.494
  329    HA   PRO  50           HA       PRO  50   1.463  17.121  17.121
  330   1HB   PRO  50           HB2      PRO  50   3.968  17.540  17.540
  331   2HB   PRO  50           HB1      PRO  50   2.501  17.399  17.399
  332   1HG   PRO  50           HG2      PRO  50   4.694  15.414  15.414
  333   2HG   PRO  50           HG1      PRO  50   3.601  15.614  15.614
  334   1HD   PRO  50           HD2      PRO  50   3.368  13.646  13.646
  335   2HD   PRO  50           HD1      PRO  50   2.109  14.086  14.086
  336    H    ALA  51           HN       ALA  51   1.669  16.240  16.240
  337    HA   ALA  51           HA       ALA  51   4.161  17.325  17.325
  338   1HB   ALA  51           HB2      ALA  51   4.093  14.605  14.605
  339   2HB   ALA  51           HB1      ALA  51   3.656  14.680  14.680
  340   3HB   ALA  51           HB3      ALA  51   5.173  15.389  15.389
  341    HA   PRO  52           HA       PRO  52   1.615  18.113  18.113
  342   1HB   PRO  52           HB2      PRO  52   3.201  17.442  17.442
  343   2HB   PRO  52           HB1      PRO  52   3.449  18.888  18.888
  344   1HG   PRO  52           HG2      PRO  52   5.003  16.339  16.339
  345   2HG   PRO  52           HG1      PRO  52   5.533  17.973  17.973
  346   1HD   PRO  52           HD2      PRO  52   4.897  15.921  15.921
  347   2HD   PRO  52           HD1      PRO  52   5.055  17.646  17.646
  348    H    VAL  53           HN       VAL  53   3.299  15.007  15.007
  349    HA   VAL  53           HA       VAL  53   0.893  13.974  13.974
  350    HB   VAL  53           HB       VAL  53   2.395  11.891  11.891
  351   1HG1  VAL  53          HG12      VAL  53   2.705  14.551  14.551
  352   2HG1  VAL  53          HG11      VAL  53   4.067  13.455  13.455
  353   3HG1  VAL  53          HG13      VAL  53   2.450  12.977  12.977
  354   1HG2  VAL  53          HG22      VAL  53   3.843  13.098  13.098
  355   2HG2  VAL  53          HG21      VAL  53   4.521  11.923  11.923
  356   3HG2  VAL  53          HG23      VAL  53   4.726  13.648  13.648
  357    H    ASP  54           HN       ASP  54  -0.452  14.061  14.061
  358    HA   ASP  54           HA       ASP  54   0.386  12.166  12.166
  359   1HB   ASP  54           HB2      ASP  54  -1.661  14.350  14.350
  360   2HB   ASP  54           HB1      ASP  54  -1.796  13.127  13.127
  361    HA   PRO  55           HA       PRO  55  -3.753  10.095  10.095
  362   1HB   PRO  55           HB2      PRO  55  -5.349  11.213  11.213
  363   2HB   PRO  55           HB1      PRO  55  -5.450  11.641  11.641
  364   1HG   PRO  55           HG2      PRO  55  -4.242  13.189  13.189
  365   2HG   PRO  55           HG1      PRO  55  -4.992  13.781  13.781
  366   1HD   PRO  55           HD2      PRO  55  -2.222  13.619  13.619
  367   2HD   PRO  55           HD1      PRO  55  -3.006  13.782  13.782
  368    H    VAL  56           HN       VAL  56  -2.666   8.374   8.374
  369    HA   VAL  56           HA       VAL  56  -2.702   8.546   8.546
  370    HB   VAL  56           HB       VAL  56  -0.414   7.400   7.400
  371   1HG1  VAL  56          HG12      VAL  56  -1.125   7.822   7.822
  372   2HG1  VAL  56          HG11      VAL  56   0.549   8.173   8.173
  373   3HG1  VAL  56          HG13      VAL  56  -0.122   6.571   6.571
  374   1HG2  VAL  56          HG23      VAL  56  -0.671   9.852   9.852
  375   2HG2  VAL  56          HG22      VAL  56   0.805   9.483   9.483
  376   3HG2  VAL  56          HG21      VAL  56  -0.591  10.156  10.156
  377    H    MET  57           HN       MET  57  -4.389   6.954   6.954
  378    HA   MET  57           HA       MET  57  -3.438   4.239   4.239
  379   1HB   MET  57           HB2      MET  57  -5.451   3.594   3.594
  380   2HB   MET  57           HB1      MET  57  -4.957   5.116   5.116
  381   1HG   MET  57           HG2      MET  57  -7.173   5.617   5.617
  382   2HG   MET  57           HG1      MET  57  -6.475   6.117   6.117
  383   1HE   MET  57           HE1      MET  57  -8.955   6.022   6.022
  384   2HE   MET  57           HE3      MET  57  -7.945   5.579   5.579
  385   3HE   MET  57           HE2      MET  57  -9.430   4.692   4.692
  386    H    VAL  58           HN       VAL  58  -3.921   2.703   2.703
  387    HA   VAL  58           HA       VAL  58  -5.909   3.403   3.403
  388    HB   VAL  58           HB       VAL  58  -3.546   1.916   1.916
  389   1HG1  VAL  58          HG13      VAL  58  -5.678   3.518   3.518
  390   2HG1  VAL  58          HG12      VAL  58  -4.162   4.294   4.294
  391   3HG1  VAL  58          HG11      VAL  58  -4.467   2.618   2.618
  392   1HG2  VAL  58          HG22      VAL  58  -2.563   3.645   3.645
  393   2HG2  VAL  58          HG21      VAL  58  -2.067   3.828   3.828
  394   3HG2  VAL  58          HG23      VAL  58  -3.303   4.888   4.888
  395    H    ASP  59           HN       ASP  59  -6.725   1.531   1.531
  396    HA   ASP  59           HA       ASP  59  -6.367  -1.057  -1.057
  397   1HB   ASP  59           HB2      ASP  59  -8.574  -0.099  -0.099
  398   2HB   ASP  59           HB1      ASP  59  -8.871   0.117   0.117
  399    H    ASN  60           HN       ASN  60  -5.710  -2.718  -2.718
  400    HA   ASN  60           HA       ASN  60  -5.488  -2.159  -2.159
  401   1HB   ASN  60           HB2      ASN  60  -4.510  -4.461  -4.461
  402   2HB   ASN  60           HB1      ASN  60  -4.240  -4.344  -4.344
  403   1HD2  ASN  60          HD22      ASN  60  -1.213  -2.780  -2.780
  404   2HD2  ASN  60          HD21      ASN  60  -1.859  -4.304  -4.304
  405    H    GLY  61           HN       GLY  61  -7.495  -4.135  -4.135
  406   1HA   GLY  61           HA2      GLY  61  -9.625  -4.965  -4.965
  407   2HA   GLY  61           HA1      GLY  61  -9.038  -4.874  -4.874
  408    H    ASP  62           HN       ASP  62  -7.317  -6.440  -6.440
  409    HA   ASP  62           HA       ASP  62  -7.987  -9.090  -9.090
  410   1HB   ASP  62           HB2      ASP  62  -5.485  -9.659  -9.659
  411   2HB   ASP  62           HB1      ASP  62  -5.919  -8.691  -8.691
  412    H    GLY  63           HN       GLY  63  -8.656  -7.589  -7.589
  413   1HA   GLY  63           HA2      GLY  63  -9.103  -8.398  -8.398
  414   2HA   GLY  63           HA1      GLY  63  -8.090  -9.796  -9.796
  415    H    THR  64           HN       THR  64  -6.110  -7.521  -7.521
  416    HA   THR  64           HA       THR  64  -5.026  -6.947  -6.947
  417    HB   THR  64           HB       THR  64  -2.760  -7.108  -7.108
  418    HG1  THR  64           HG1      THR  64  -2.715  -7.068  -7.068
  419   1HG2  THR  64          HG22      THR  64  -4.587  -9.509  -9.509
  420   2HG2  THR  64          HG21      THR  64  -2.828  -9.603  -9.603
  421   3HG2  THR  64          HG23      THR  64  -3.599  -9.067  -9.067
  422    H    TYR  65           HN       TYR  65  -4.822  -4.736  -4.736
  423    HA   TYR  65           HA       TYR  65  -4.661  -2.991  -2.991
  424   1HB   TYR  65           HB2      TYR  65  -5.975  -2.310  -2.310
  425   2HB   TYR  65           HB1      TYR  65  -6.001  -1.341  -1.341
  426    HD1  TYR  65           HD2      TYR  65  -6.220  -3.613  -3.613
  427    HD2  TYR  65           HD1      TYR  65  -8.357  -2.811  -2.811
  428    HE1  TYR  65           HE2      TYR  65  -8.127  -4.926  -4.926
  429    HE2  TYR  65           HE1      TYR  65 -10.271  -4.128  -4.128
  430    HH   TYR  65           HH       TYR  65 -10.134  -6.268  -6.268
  431    H    ASP  66           HN       ASP  66  -3.396  -0.966  -0.966
  432    HA   ASP  66           HA       ASP  66  -1.419  -1.336  -1.336
  433   1HB   ASP  66           HB2      ASP  66   0.359  -0.711  -0.711
  434   2HB   ASP  66           HB1      ASP  66  -0.588  -1.931  -1.931
  435    H    VAL  67           HN       VAL  67  -0.450   0.575   0.575
  436    HA   VAL  67           HA       VAL  67  -1.741   3.124   3.124
  437    HB   VAL  67           HB       VAL  67  -2.335   3.644   3.644
  438   1HG1  VAL  67          HG12      VAL  67  -2.813   0.694   0.694
  439   2HG1  VAL  67          HG11      VAL  67  -3.604   1.585   1.585
  440   3HG1  VAL  67          HG13      VAL  67  -3.905   2.026   2.026
  441   1HG2  VAL  67          HG21      VAL  67  -0.490   1.390   1.390
  442   2HG2  VAL  67          HG23      VAL  67  -0.451   3.059   3.059
  443   3HG2  VAL  67          HG22      VAL  67  -1.700   1.958   1.958
  444    H    GLU  68           HN       GLU  68  -0.257   4.984   4.984
  445    HA   GLU  68           HA       GLU  68   2.348   4.340   4.340
  446   1HB   GLU  68           HB2      GLU  68   2.368   5.345   5.345
  447   2HB   GLU  68           HB1      GLU  68   3.687   4.609   4.609
  448   1HG   GLU  68           HG2      GLU  68   2.526   2.441   2.441
  449   2HG   GLU  68           HG1      GLU  68   1.154   3.171   3.171
  450    H    PHE  69           HN       PHE  69   3.093   6.068   6.068
  451    HA   PHE  69           HA       PHE  69   2.618   8.762   8.762
  452   1HB   PHE  69           HB2      PHE  69   2.021   9.785   9.785
  453   2HB   PHE  69           HB1      PHE  69   0.976   8.377   8.377
  454    HD1  PHE  69           HD2      PHE  69   2.260   6.118   6.118
  455    HD2  PHE  69           HD1      PHE  69   2.957  10.159  10.159
  456    HE1  PHE  69           HE2      PHE  69   3.149   5.297   5.297
  457    HE2  PHE  69           HE1      PHE  69   3.849   9.333   9.333
  458    HZ   PHE  69           HZ       PHE  69   3.932   6.876   6.876
  459    H    GLU  70           HN       GLU  70   4.356  10.303  10.303
  460    HA   GLU  70           HA       GLU  70   6.610   9.120   9.120
  461   1HB   GLU  70           HB2      GLU  70   8.210   9.396   9.396
  462   2HB   GLU  70           HB1      GLU  70   6.895   8.346   8.346
  463   1HG   GLU  70           HG2      GLU  70   6.586   9.718   9.718
  464   2HG   GLU  70           HG1      GLU  70   6.063  10.962  10.962
  465    HA   PRO  71           HA       PRO  71   6.410  13.529  13.529
  466   1HB   PRO  71           HB2      PRO  71   7.651  13.254  13.254
  467   2HB   PRO  71           HB1      PRO  71   5.925  12.955  12.955
  468   1HG   PRO  71           HG2      PRO  71   8.127  10.989  10.989
  469   2HG   PRO  71           HG1      PRO  71   6.398  10.823  10.823
  470   1HD   PRO  71           HD2      PRO  71   7.769   9.743   9.743
  471   2HD   PRO  71           HD1      PRO  71   6.007   9.849   9.849
  472    H    LYS  72           HN       LYS  72   8.422  14.691  14.691
  473    HA   LYS  72           HA       LYS  72  11.018  14.147  14.147
  474   1HB   LYS  72           HB2      LYS  72  11.058  16.836  16.836
  475   2HB   LYS  72           HB1      LYS  72  10.495  15.848  15.848
  476   1HG   LYS  72           HG2      LYS  72   8.170  16.053  16.053
  477   2HG   LYS  72           HG1      LYS  72   8.733  17.053  17.053
  478   1HD   LYS  72           HD2      LYS  72   9.558  17.902  17.902
  479   2HD   LYS  72           HD1      LYS  72   7.855  18.104  18.104
  480   1HE   LYS  72           HE2      LYS  72  10.099  19.070  19.070
  481   2HE   LYS  72           HE1      LYS  72   9.340  20.089  20.089
  482   1HZ   LYS  72           HZ1      LYS  72   7.342  18.814  18.814
  483   2HZ   LYS  72           HZ3      LYS  72   8.434  19.549  19.549
  484   3HZ   LYS  72           HZ2      LYS  72   7.669  20.475  20.475
  485    H    GLU  73           HN       GLU  73   9.550  16.533  16.533
  486    HA   GLU  73           HA       GLU  73  12.073  16.509  16.509
  487   1HB   GLU  73           HB2      GLU  73  10.997  18.276  18.276
  488   2HB   GLU  73           HB1      GLU  73  10.795  18.613  18.613
  489   1HG   GLU  73           HG2      GLU  73   8.542  18.368  18.368
  490   2HG   GLU  73           HG1      GLU  73   8.655  16.931  16.931
  491    H    ALA  74           HN       ALA  74  10.386  16.956  16.956
  492    HA   ALA  74           HA       ALA  74  10.236  14.088  14.088
  493   1HB   ALA  74           HB2      ALA  74  10.010  16.575  16.575
  494   2HB   ALA  74           HB1      ALA  74   9.970  14.921  14.921
  495   3HB   ALA  74           HB3      ALA  74  11.429  15.541  15.541
  496    H    GLY  75           HN       GLY  75   8.295  13.045  13.045
  497   1HA   GLY  75           HA2      GLY  75   5.833  14.578  14.578
  498   2HA   GLY  75           HA1      GLY  75   5.952  13.818  13.818
  499    H    ASP  76           HN       ASP  76   3.963  13.158  13.158
  500    HA   ASP  76           HA       ASP  76   4.746  10.386  10.386
  501   1HB   ASP  76           HB2      ASP  76   2.779  10.544  10.544
  502   2HB   ASP  76           HB1      ASP  76   4.012  11.751  11.751
  503    H    TYR  77           HN       TYR  77   3.126   8.750   8.750
  504    HA   TYR  77           HA       TYR  77   1.476   9.547   9.547
  505   1HB   TYR  77           HB2      TYR  77   2.388   6.749   6.749
  506   2HB   TYR  77           HB1      TYR  77   1.739   7.375   7.375
  507    HD1  TYR  77           HD1      TYR  77   3.324  10.043  10.043
  508    HD2  TYR  77           HD2      TYR  77   4.418   5.906   5.906
  509    HE1  TYR  77           HE1      TYR  77   5.584  10.592  10.592
  510    HE2  TYR  77           HE2      TYR  77   6.677   6.443   6.443
  511    HH   TYR  77           HH       TYR  77   7.791   8.205   8.205
  512    H    VAL  78           HN       VAL  78  -0.608   9.204   9.204
  513    HA   VAL  78           HA       VAL  78  -1.726   7.559   7.559
  514    HB   VAL  78           HB       VAL  78  -2.594   9.717   9.717
  515   1HG1  VAL  78          HG12      VAL  78  -2.625   9.839   9.839
  516   2HG1  VAL  78          HG11      VAL  78  -3.614  10.951  10.951
  517   3HG1  VAL  78          HG13      VAL  78  -1.861  10.945  10.945
  518   1HG2  VAL  78          HG21      VAL  78  -4.343   7.962   7.962
  519   2HG2  VAL  78          HG23      VAL  78  -4.955   9.552   9.552
  520   3HG2  VAL  78          HG22      VAL  78  -4.569   8.362   8.362
  521    H    ILE  79           HN       ILE  79  -2.716   5.763   5.763
  522    HA   ILE  79           HA       ILE  79  -3.088   5.504   5.504
  523    HB   ILE  79           HB       ILE  79  -3.362   2.981   2.981
  524   1HG1  ILE  79          HG12      ILE  79  -1.041   4.631   4.631
  525   2HG1  ILE  79          HG11      ILE  79  -2.255   3.776   3.776
  526   1HG2  ILE  79          HG21      ILE  79  -2.426   3.610   3.610
  527   2HG2  ILE  79          HG23      ILE  79  -0.947   4.099   4.099
  528   3HG2  ILE  79          HG22      ILE  79  -1.478   2.417   2.417
  529   1HD1  ILE  79          HD11      ILE  79  -1.360   1.678   1.678
  530   2HD1  ILE  79          HD13      ILE  79   0.082   2.679   2.679
  531   3HD1  ILE  79          HD12      ILE  79  -0.513   2.245   2.245
  532    H    ASN  80           HN       ASN  80  -4.797   4.346   4.346
  533    HA   ASN  80           HA       ASN  80  -7.170   3.909   3.909
  534   1HB   ASN  80           HB2      ASN  80  -7.456   5.585   5.585
  535   2HB   ASN  80           HB1      ASN  80  -8.558   5.419   5.419
  536   1HD2  ASN  80          HD22      ASN  80  -7.178   8.137   8.137
  537   2HD2  ASN  80          HD21      ASN  80  -8.470   7.052   7.052
  538    H    LEU  81           HN       LEU  81  -7.629   1.883   1.883
  539    HA   LEU  81           HA       LEU  81  -7.655   1.168   1.168
  540   1HB   LEU  81           HB2      LEU  81  -5.569   0.259   0.259
  541   2HB   LEU  81           HB1      LEU  81  -6.430  -0.416  -0.416
  542    HG   LEU  81           HG       LEU  81  -5.767  -1.862  -1.862
  543   1HD1  LEU  81          HD11      LEU  81  -8.093  -2.035  -2.035
  544   2HD1  LEU  81          HD13      LEU  81  -7.809  -3.299  -3.299
  545   3HD1  LEU  81          HD12      LEU  81  -6.577  -2.934  -2.934
  546   1HD2  LEU  81          HD23      LEU  81  -7.615  -0.236  -0.236
  547   2HD2  LEU  81          HD22      LEU  81  -7.304  -1.880  -1.880
  548   3HD2  LEU  81          HD21      LEU  81  -8.650  -1.544  -1.544
  549    H    THR  82           HN       THR  82  -9.712   0.471   0.471
  550    HA   THR  82           HA       THR  82 -11.137  -0.930  -0.930
  551    HB   THR  82           HB       THR  82 -13.178   0.440   0.440
  552    HG1  THR  82           HG1      THR  82 -11.313   1.327   1.327
  553   1HG2  THR  82          HG21      THR  82 -11.039   1.031   1.031
  554   2HG2  THR  82          HG23      THR  82 -11.842   2.494   2.494
  555   3HG2  THR  82          HG22      THR  82 -12.782   1.212   1.212
  556    H    LEU  83           HN       LEU  83 -12.307  -2.671  -2.671
  557    HA   LEU  83           HA       LEU  83 -13.074  -2.980  -2.980
  558   1HB   LEU  83           HB2      LEU  83 -10.938  -4.263  -4.263
  559   2HB   LEU  83           HB1      LEU  83 -11.850  -5.250  -5.250
  560    HG   LEU  83           HG       LEU  83 -11.545  -6.050  -6.050
  561   1HD1  LEU  83          HD11      LEU  83 -13.015  -6.986  -6.986
  562   2HD1  LEU  83          HD13      LEU  83 -14.347  -6.182  -6.182
  563   3HD1  LEU  83          HD12      LEU  83 -13.423  -7.430  -7.430
  564   1HD2  LEU  83          HD21      LEU  83 -12.580  -3.793  -3.793
  565   2HD2  LEU  83          HD23      LEU  83 -13.175  -5.266  -5.266
  566   3HD2  LEU  83          HD22      LEU  83 -14.122  -4.488  -4.488
  567    H    ASP  84           HN       ASP  84 -15.118  -2.303  -2.303
  568    HA   ASP  84           HA       ASP  84 -17.215  -3.866  -3.866
  569   1HB   ASP  84           HB2      ASP  84 -15.612  -4.660  -4.660
  570   2HB   ASP  84           HB1      ASP  84 -17.372  -4.688  -4.688
  571    H    GLY  85           HN       GLY  85 -15.389  -1.600  -1.600
  572   1HA   GLY  85           HA2      GLY  85 -16.709   0.614   0.614
  573   2HA   GLY  85           HA1      GLY  85 -17.881  -0.363  -0.363
  574    H    ASP  86           HN       ASP  86 -14.841  -1.616  -1.616
  575    HA   ASP  86           HA       ASP  86 -14.545   0.203   0.203
  576   1HB   ASP  86           HB2      ASP  86 -13.744  -1.869  -1.869
  577   2HB   ASP  86           HB1      ASP  86 -15.463  -1.870  -1.870
  578    H    ASN  87           HN       ASN  87 -12.171  -0.150  -0.150
  579    HA   ASN  87           HA       ASN  87 -10.393  -0.212  -0.212
  580   1HB   ASN  87           HB2      ASN  87  -9.966   1.016   1.016
  581   2HB   ASN  87           HB1      ASN  87  -8.796   1.061   1.061
  582   1HD2  ASN  87          HD22      ASN  87 -12.276   3.220   3.220
  583   2HD2  ASN  87          HD21      ASN  87 -12.313   1.794   1.794
  584    H    VAL  88           HN       VAL  88  -8.392  -1.403  -1.403
  585    HA   VAL  88           HA       VAL  88  -8.638  -3.868  -3.868
  586    HB   VAL  88           HB       VAL  88  -6.541  -2.625  -2.625
  587   1HG1  VAL  88          HG11      VAL  88  -5.293  -3.618  -3.618
  588   2HG1  VAL  88          HG13      VAL  88  -6.079  -5.160  -5.160
  589   3HG1  VAL  88          HG12      VAL  88  -4.983  -4.451  -4.451
  590   1HG2  VAL  88          HG23      VAL  88  -7.972  -5.298  -5.298
  591   2HG2  VAL  88          HG22      VAL  88  -8.410  -3.921  -3.921
  592   3HG2  VAL  88          HG21      VAL  88  -6.880  -4.759  -4.759
  593    H    ASN  89           HN       ASN  89  -6.730  -4.632  -4.632
  594    HA   ASN  89           HA       ASN  89  -6.694  -2.725  -2.725
  595   1HB   ASN  89           HB2      ASN  89  -5.413  -4.596  -4.596
  596   2HB   ASN  89           HB1      ASN  89  -7.037  -5.005  -5.005
  597   1HD2  ASN  89          HD22      ASN  89  -4.051  -7.254  -7.254
  598   2HD2  ASN  89          HD21      ASN  89  -4.028  -6.313  -6.313
  599    H    GLY  90           HN       GLY  90  -5.048  -2.129  -2.129
  600   1HA   GLY  90           HA2      GLY  90  -2.604  -1.378  -1.378
  601   2HA   GLY  90           HA1      GLY  90  -2.364  -2.368  -2.368
  602    H    PHE  91           HN       PHE  91  -5.046  -0.204  -0.204
  603    HA   PHE  91           HA       PHE  91  -3.528   1.581   1.581
  604   1HB   PHE  91           HB2      PHE  91  -6.106   0.208   0.208
  605   2HB   PHE  91           HB1      PHE  91  -6.057   1.879   1.879
  606    HD1  PHE  91           HD1      PHE  91  -4.642  -1.484  -1.484
  607    HD2  PHE  91           HD2      PHE  91  -4.531   2.553   2.553
  608    HE1  PHE  91           HE1      PHE  91  -3.264  -2.186  -2.186
  609    HE2  PHE  91           HE2      PHE  91  -3.165   1.879   1.879
  610    HZ   PHE  91           HZ       PHE  91  -2.526  -0.507  -0.507
  611    HA   PRO  92           HA       PRO  92  -6.472   4.539   4.539
  612   1HB   PRO  92           HB2      PRO  92  -7.609   3.742   3.742
  613   2HB   PRO  92           HB1      PRO  92  -8.423   3.635   3.635
  614   1HG   PRO  92           HG2      PRO  92  -7.210   1.460   1.460
  615   2HG   PRO  92           HG1      PRO  92  -8.519   1.372   1.372
  616   1HD   PRO  92           HD2      PRO  92  -5.842   0.609   0.609
  617   2HD   PRO  92           HD1      PRO  92  -7.056   0.848   0.848
  618    H    LYS  93           HN       LYS  93  -3.833   2.975   2.975
  619    HA   LYS  93           HA       LYS  93  -3.238   4.407   4.407
  620   1HB   LYS  93           HB2      LYS  93  -2.674   1.966   1.966
  621   2HB   LYS  93           HB1      LYS  93  -1.596   2.339   2.339
  622   1HG   LYS  93           HG2      LYS  93  -0.151   3.637   3.637
  623   2HG   LYS  93           HG1      LYS  93  -1.333   3.694   3.694
  624   1HD   LYS  93           HD2      LYS  93   0.216   2.051   2.051
  625   2HD   LYS  93           HD1      LYS  93  -1.124   1.115   1.115
  626   1HE   LYS  93           HE2      LYS  93   0.131   1.112   1.112
  627   2HE   LYS  93           HE1      LYS  93   1.514   1.762   1.762
  628   1HZ   LYS  93           HZ1      LYS  93   0.108  -0.766  -0.766
  629   2HZ   LYS  93           HZ3      LYS  93   1.575  -0.665  -0.665
  630   3HZ   LYS  93           HZ2      LYS  93   1.490  -0.150  -0.150
  631    H    THR  94           HN       THR  94  -1.002   5.393   5.393
  632    HA   THR  94           HA       THR  94  -0.489   6.671   6.671
  633    HB   THR  94           HB       THR  94  -0.148   7.939   7.939
  634    HG1  THR  94           HG1      THR  94  -2.362   7.431   7.431
  635   1HG2  THR  94          HG21      THR  94   1.100   8.590   8.590
  636   2HG2  THR  94          HG23      THR  94  -0.405   9.477   9.477
  637   3HG2  THR  94          HG22      THR  94   0.593   9.797   9.797
  638    H    VAL  95           HN       VAL  95   1.526   6.443   6.443
  639    HA   VAL  95           HA       VAL  95   3.523   5.375   5.375
  640    HB   VAL  95           HB       VAL  95   3.426   5.324   5.324
  641   1HG1  VAL  95          HG12      VAL  95   5.759   5.752   5.752
  642   2HG1  VAL  95          HG11      VAL  95   5.635   4.028   4.028
  643   3HG1  VAL  95          HG13      VAL  95   5.599   4.588   4.588
  644   1HG2  VAL  95          HG21      VAL  95   2.148   3.624   3.624
  645   2HG2  VAL  95          HG23      VAL  95   3.418   2.929   2.929
  646   3HG2  VAL  95          HG22      VAL  95   3.671   3.117   3.117
  647    H    THR  96           HN       THR  96   5.641   6.471   6.471
  648    HA   THR  96           HA       THR  96   5.385   9.299   9.299
  649    HB   THR  96           HB       THR  96   6.642   8.192   8.192
  650    HG1  THR  96           HG1      THR  96   4.901  10.128  10.128
  651   1HG2  THR  96          HG23      THR  96   7.201  10.616  10.616
  652   2HG2  THR  96          HG22      THR  96   6.531  10.998  10.998
  653   3HG2  THR  96          HG21      THR  96   7.980  10.002  10.002
  654    H    VAL  97           HN       VAL  97   6.990  10.275  10.275
  655    HA   VAL  97           HA       VAL  97   9.628   8.903   8.903
  656    HB   VAL  97           HB       VAL  97   7.867  10.233  10.233
  657   1HG1  VAL  97          HG13      VAL  97  10.878  10.037  10.037
  658   2HG1  VAL  97          HG12      VAL  97   9.867  10.380  10.380
  659   3HG1  VAL  97          HG11      VAL  97   9.916  11.515  11.515
  660   1HG2  VAL  97          HG21      VAL  97   9.553   7.746   7.746
  661   2HG2  VAL  97          HG23      VAL  97   7.837   7.876   7.876
  662   3HG2  VAL  97          HG22      VAL  97   9.044   8.382   8.382
  663    H    LYS  98           HN       LYS  98  11.316  10.263  10.263
  664    HA   LYS  98           HA       LYS  98  10.582  13.138  13.138
  665   1HB   LYS  98           HB2      LYS  98  11.679  11.184  11.184
  666   2HB   LYS  98           HB1      LYS  98  12.548  12.719  12.719
  667   1HG   LYS  98           HG2      LYS  98  10.656  13.948  13.948
  668   2HG   LYS  98           HG1      LYS  98   9.541  12.691  12.691
  669   1HD   LYS  98           HD2      LYS  98  10.098  11.273  11.273
  670   2HD   LYS  98           HD1      LYS  98  11.472  12.284  12.284
  671   1HE   LYS  98           HE2      LYS  98  10.145  13.902  13.902
  672   2HE   LYS  98           HE1      LYS  98   8.778  13.570  13.570
  673   1HZ   LYS  98           HZ1      LYS  98   8.999  11.257  11.257
  674   2HZ   LYS  98           HZ3      LYS  98   9.500  12.344  12.344
  675   3HZ   LYS  98           HZ2      LYS  98   7.974  12.526  12.526
  676    HA   PRO  99           HA       PRO  99  15.198  13.448  13.448
  677   1HB   PRO  99           HB2      PRO  99  16.749  11.188  11.188
  678   2HB   PRO  99           HB1      PRO  99  16.436  12.113  12.113
  679   1HG   PRO  99           HG2      PRO  99  15.289   9.493   9.493
  680   2HG   PRO  99           HG1      PRO  99  15.555  10.124  10.124
  681   1HD   PRO  99           HD2      PRO  99  13.082  10.050  10.050
  682   2HD   PRO  99           HD1      PRO  99  13.453  10.997  10.997
  683    H    ALA 100           HN       ALA 100  13.807  13.587  13.587
  684    HA   ALA 100           HA       ALA 100  14.134  11.496  11.496
  685   1HB   ALA 100           HB2      ALA 100  12.517  13.557  13.557
  686   2HB   ALA 100           HB1      ALA 100  13.883  14.400  14.400
  687   3HB   ALA 100           HB3      ALA 100  13.192  12.985  12.985

  Start of MODEL   16
    1   1H    ALA   1           HT1      ALA   1 -17.987  -8.248  -8.248
    2   2H    ALA   1           HT3      ALA   1 -19.174  -8.214  -8.214
    3   3H    ALA   1           HT2      ALA   1 -18.802  -9.675  -9.675
    4    HA   ALA   1           HA       ALA   1 -17.539 -10.049 -10.049
    5   1HB   ALA   1           HB1      ALA   1 -18.044  -7.183  -7.183
    6   2HB   ALA   1           HB3      ALA   1 -16.447  -7.671  -7.671
    7   3HB   ALA   1           HB2      ALA   1 -17.890  -8.454  -8.454
    8    H    ASP   2           HN       ASP   2 -15.919 -11.005 -11.005
    9    HA   ASP   2           HA       ASP   2 -13.884 -11.209 -11.209
   10   1HB   ASP   2           HB2      ASP   2 -13.035 -10.633 -10.633
   11   2HB   ASP   2           HB1      ASP   2 -13.326  -8.916  -8.916
   12    HA   PRO   3           HA       PRO   3 -14.703  -7.500  -7.500
   13   1HB   PRO   3           HB2      PRO   3 -16.289  -8.733  -8.733
   14   2HB   PRO   3           HB1      PRO   3 -16.950  -7.903  -7.903
   15   1HG   PRO   3           HG2      PRO   3 -16.730 -10.828 -10.828
   16   2HG   PRO   3           HG1      PRO   3 -17.867  -9.961  -9.961
   17   1HD   PRO   3           HD2      PRO   3 -15.561 -11.386 -11.386
   18   2HD   PRO   3           HD1      PRO   3 -16.551 -10.288 -10.288
   19    H    GLU   4           HN       GLU   4 -13.298 -10.486 -10.486
   20    HA   GLU   4           HA       GLU   4 -11.833 -10.045 -10.045
   21   1HB   GLU   4           HB2      GLU   4 -13.940 -11.829 -11.829
   22   2HB   GLU   4           HB1      GLU   4 -12.501 -12.831 -12.831
   23   1HG   GLU   4           HG2      GLU   4 -11.571 -11.708 -11.708
   24   2HG   GLU   4           HG1      GLU   4 -13.177 -11.018 -11.018
   25    H    LYS   5           HN       LYS   5 -11.402 -10.318 -10.318
   26    HA   LYS   5           HA       LYS   5  -8.864 -11.797 -11.797
   27   1HB   LYS   5           HB2      LYS   5 -10.931 -12.452 -12.452
   28   2HB   LYS   5           HB1      LYS   5  -9.290 -13.094 -13.094
   29   1HG   LYS   5           HG2      LYS   5 -10.028 -13.745 -13.745
   30   2HG   LYS   5           HG1      LYS   5 -11.625 -13.736 -13.736
   31   1HD   LYS   5           HD2      LYS   5 -10.853 -15.304 -15.304
   32   2HD   LYS   5           HD1      LYS   5  -9.231 -15.290 -15.290
   33   1HE   LYS   5           HE2      LYS   5 -10.632 -15.929 -15.929
   34   2HE   LYS   5           HE1      LYS   5 -11.704 -16.618 -16.618
   35   1HZ   LYS   5           HZ2      LYS   5  -8.857 -17.140 -17.140
   36   2HZ   LYS   5           HZ1      LYS   5  -9.630 -17.922 -17.922
   37   3HZ   LYS   5           HZ3      LYS   5 -10.187 -18.156 -18.156
   38    H    SER   6           HN       SER   6  -9.418  -9.065  -9.065
   39    HA   SER   6           HA       SER   6  -8.465  -8.415  -8.415
   40   1HB   SER   6           HB2      SER   6  -9.637  -6.383  -6.383
   41   2HB   SER   6           HB1      SER   6  -9.552  -6.338  -6.338
   42    HG   SER   6           HG       SER   6 -11.475  -7.153  -7.153
   43    H    TYR   7           HN       TYR   7  -6.301  -8.028  -8.028
   44    HA   TYR   7           HA       TYR   7  -5.234  -6.422  -6.422
   45   1HB   TYR   7           HB2      TYR   7  -3.156  -7.940  -7.940
   46   2HB   TYR   7           HB1      TYR   7  -4.587  -8.602  -8.602
   47    HD1  TYR   7           HD2      TYR   7  -6.245  -9.937  -9.937
   48    HD2  TYR   7           HD1      TYR   7  -2.187  -9.075  -9.075
   49    HE1  TYR   7           HE2      TYR   7  -6.305 -11.786 -11.786
   50    HE2  TYR   7           HE1      TYR   7  -2.247 -10.925 -10.925
   51    HH   TYR   7           HH       TYR   7  -3.617 -13.127 -13.127
   52    H    ALA   8           HN       ALA   8  -3.610  -4.998  -4.998
   53    HA   ALA   8           HA       ALA   8  -2.696  -4.956  -4.956
   54   1HB   ALA   8           HB3      ALA   8  -4.081  -2.922  -2.922
   55   2HB   ALA   8           HB2      ALA   8  -2.477  -2.352  -2.352
   56   3HB   ALA   8           HB1      ALA   8  -3.607  -2.902  -2.902
   57    H    GLU   9           HN       GLU   9  -0.503  -5.303  -5.303
   58    HA   GLU   9           HA       GLU   9   1.125  -4.110  -4.110
   59   1HB   GLU   9           HB2      GLU   9   2.495  -6.287  -6.287
   60   2HB   GLU   9           HB1      GLU   9   0.928  -6.349  -6.349
   61   1HG   GLU   9           HG2      GLU   9  -0.050  -7.175  -7.175
   62   2HG   GLU   9           HG1      GLU   9   1.605  -7.340  -7.340
   63    H    GLY  10           HN       GLY  10   3.168  -3.463  -3.463
   64   1HA   GLY  10           HA2      GLY  10   4.273  -4.257  -4.257
   65   2HA   GLY  10           HA1      GLY  10   3.660  -2.609  -2.609
   66    HA   PRO  11           HA       PRO  11   7.964  -2.617  -2.617
   67   1HB   PRO  11           HB2      PRO  11   9.239  -1.545  -1.545
   68   2HB   PRO  11           HB1      PRO  11   9.107  -3.289  -3.289
   69   1HG   PRO  11           HG2      PRO  11   7.635  -1.593  -1.593
   70   2HG   PRO  11           HG1      PRO  11   8.016  -3.322  -3.322
   71   1HD   PRO  11           HD2      PRO  11   5.511  -2.206  -2.206
   72   2HD   PRO  11           HD1      PRO  11   6.004  -3.895  -3.895
   73    H    GLY  12           HN       GLY  12   5.500  -0.702  -0.702
   74   1HA   GLY  12           HA2      GLY  12   6.908   1.859   1.859
   75   2HA   GLY  12           HA1      GLY  12   5.461   1.731   1.731
   76    H    LEU  13           HN       LEU  13   5.686   3.342   3.342
   77    HA   LEU  13           HA       LEU  13   4.024   3.892   3.892
   78   1HB   LEU  13           HB2      LEU  13   2.125   2.728   2.728
   79   2HB   LEU  13           HB1      LEU  13   2.790   1.846   1.846
   80    HG   LEU  13           HG       LEU  13   3.740   0.605   0.605
   81   1HD1  LEU  13          HD13      LEU  13   1.311   1.890   1.890
   82   2HD1  LEU  13          HD12      LEU  13   0.873   0.217   0.217
   83   3HD1  LEU  13          HD11      LEU  13   2.004   0.578   0.578
   84   1HD2  LEU  13          HD22      LEU  13   2.382  -0.056  -0.056
   85   2HD2  LEU  13          HD21      LEU  13   3.443  -1.059  -1.059
   86   3HD2  LEU  13          HD23      LEU  13   1.719  -0.973  -0.973
   87    H    ASP  14           HN       ASP  14   6.505   1.727   1.727
   88    HA   ASP  14           HA       ASP  14   6.346   0.891   0.891
   89   1HB   ASP  14           HB2      ASP  14   8.864   1.427   1.427
   90   2HB   ASP  14           HB1      ASP  14   8.642   0.284   0.284
   91    H    GLY  15           HN       GLY  15   7.011   3.815   3.815
   92   1HA   GLY  15           HA2      GLY  15   7.330   5.973   5.973
   93   2HA   GLY  15           HA1      GLY  15   7.442   5.216   5.216
   94    H    GLY  16           HN       GLY  16   9.279   5.838   5.838
   95   1HA   GLY  16           HA2      GLY  16  11.591   6.047   6.047
   96   2HA   GLY  16           HA1      GLY  16  11.797   4.902   4.902
   97    H    GLU  17           HN       GLU  17  11.359   5.987   5.987
   98    HA   GLU  17           HA       GLU  17  12.628   8.693   8.693
   99   1HB   GLU  17           HB2      GLU  17  13.184   6.377   6.377
  100   2HB   GLU  17           HB1      GLU  17  13.719   8.007   8.007
  101   1HG   GLU  17           HG2      GLU  17  15.403   7.883   7.883
  102   2HG   GLU  17           HG1      GLU  17  14.334   7.214   7.214
  103    H    CYS  18           HN       CYS  18  11.892  10.208  10.208
  104    HA   CYS  18           HA       CYS  18   9.340   9.695   9.695
  105   1HB   CYS  18           HB2      CYS  18  10.857  12.154  12.154
  106   2HB   CYS  18           HB1      CYS  18   9.816  12.254  12.254
  107    HG   CYS  18           HG       CYS  18   8.053  11.056  11.056
  108    H    PHE  19           HN       PHE  19  12.691   9.961   9.961
  109    HA   PHE  19           HA       PHE  19  12.199  10.666  10.666
  110   1HB   PHE  19           HB2      PHE  19  14.693  10.141  10.141
  111   2HB   PHE  19           HB1      PHE  19  14.737  10.338  10.338
  112    HD1  PHE  19           HD2      PHE  19  13.541  12.366  12.366
  113    HD2  PHE  19           HD1      PHE  19  14.569  12.037  12.037
  114    HE1  PHE  19           HE2      PHE  19  13.250  14.810  14.810
  115    HE2  PHE  19           HE1      PHE  19  14.270  14.485  14.485
  116    HZ   PHE  19           HZ       PHE  19  13.595  15.850  15.850
  117    H    GLN  20           HN       GLN  20  11.568   7.981   7.981
  118    HA   GLN  20           HA       GLN  20  12.781   6.170   6.170
  119   1HB   GLN  20           HB2      GLN  20  11.257   5.625   5.625
  120   2HB   GLN  20           HB1      GLN  20  11.749   4.363   4.363
  121   1HG   GLN  20           HG2      GLN  20  13.575   6.260   6.260
  122   2HG   GLN  20           HG1      GLN  20  13.424   4.521   4.521
  123   1HE2  GLN  20          HE21      GLN  20  15.716   6.378   6.378
  124   2HE2  GLN  20          HE22      GLN  20  16.236   5.571   5.571
  125    HA   PRO  21           HA       PRO  21   8.970   6.278   6.278
  126   1HB   PRO  21           HB2      PRO  21   8.981   3.762   3.762
  127   2HB   PRO  21           HB1      PRO  21   9.969   5.110   5.110
  128   1HG   PRO  21           HG2      PRO  21  10.801   2.735   2.735
  129   2HG   PRO  21           HG1      PRO  21  11.740   3.683   3.683
  130   1HD   PRO  21           HD2      PRO  21  11.944   3.915   3.915
  131   2HD   PRO  21           HD1      PRO  21  12.494   5.137   5.137
  132    H    SER  22           HN       SER  22   6.874   5.992   5.992
  133    HA   SER  22           HA       SER  22   6.516   3.794   3.794
  134   1HB   SER  22           HB2      SER  22   5.923   6.473   6.473
  135   2HB   SER  22           HB1      SER  22   4.373   5.735   5.735
  136    HG   SER  22           HG       SER  22   5.238   4.189   4.189
  137    H    LYS  23           HN       LYS  23   5.688   2.000   2.000
  138    HA   LYS  23           HA       LYS  23   3.241   2.313   2.313
  139   1HB   LYS  23           HB2      LYS  23   5.469   0.629   0.629
  140   2HB   LYS  23           HB1      LYS  23   4.077   1.308   1.308
  141   1HG   LYS  23           HG2      LYS  23   5.020   3.587   3.587
  142   2HG   LYS  23           HG1      LYS  23   6.449   2.858   2.858
  143   1HD   LYS  23           HD2      LYS  23   5.460   2.471   2.471
  144   2HD   LYS  23           HD1      LYS  23   6.929   3.307   3.307
  145   1HE   LYS  23           HE2      LYS  23   7.310   0.905   0.905
  146   2HE   LYS  23           HE1      LYS  23   6.389   0.401   0.401
  147   1HZ   LYS  23           HZ2      LYS  23   8.400   2.330   2.330
  148   2HZ   LYS  23           HZ1      LYS  23   9.061   0.933   0.933
  149   3HZ   LYS  23           HZ3      LYS  23   8.106   0.804   0.804
  150    H    PHE  24           HN       PHE  24   1.879   0.607   0.607
  151    HA   PHE  24           HA       PHE  24   2.991  -1.942  -1.942
  152   1HB   PHE  24           HB2      PHE  24   0.541  -1.499  -1.499
  153   2HB   PHE  24           HB1      PHE  24   2.150  -1.744  -1.744
  154    HD1  PHE  24           HD2      PHE  24   3.736   0.359   0.359
  155    HD2  PHE  24           HD1      PHE  24  -0.548   0.485   0.485
  156    HE1  PHE  24           HE2      PHE  24   3.841   2.734   2.734
  157    HE2  PHE  24           HE1      PHE  24  -0.447   2.867   2.867
  158    HZ   PHE  24           HZ       PHE  24   1.758   3.981   3.981
  159    H    LYS  25           HN       LYS  25   1.439  -3.731  -3.731
  160    HA   LYS  25           HA       LYS  25  -0.560  -3.163  -3.163
  161   1HB   LYS  25           HB2      LYS  25   1.113  -5.620  -5.620
  162   2HB   LYS  25           HB1      LYS  25  -0.265  -5.649  -5.649
  163   1HG   LYS  25           HG2      LYS  25   0.762  -3.976  -3.976
  164   2HG   LYS  25           HG1      LYS  25   2.088  -3.761  -3.761
  165   1HD   LYS  25           HD2      LYS  25   3.126  -5.263  -5.263
  166   2HD   LYS  25           HD1      LYS  25   2.265  -6.427  -6.427
  167   1HE   LYS  25           HE2      LYS  25   0.406  -6.465  -6.465
  168   2HE   LYS  25           HE1      LYS  25   1.251  -5.288  -5.288
  169   1HZ   LYS  25           HZ1      LYS  25   3.097  -6.888  -6.888
  170   2HZ   LYS  25           HZ3      LYS  25   2.172  -8.028  -8.028
  171   3HZ   LYS  25           HZ2      LYS  25   1.650  -7.475  -7.475
  172    H    ILE  26           HN       ILE  26  -2.655  -3.918  -3.918
  173    HA   ILE  26           HA       ILE  26  -3.132  -4.995  -4.995
  174    HB   ILE  26           HB       ILE  26  -5.222  -3.729  -3.729
  175   1HG1  ILE  26          HG12      ILE  26  -3.092  -2.400  -2.400
  176   2HG1  ILE  26          HG11      ILE  26  -3.436  -2.120  -2.120
  177   1HG2  ILE  26          HG22      ILE  26  -4.798  -4.267  -4.267
  178   2HG2  ILE  26          HG21      ILE  26  -5.925  -3.016  -3.016
  179   3HG2  ILE  26          HG23      ILE  26  -6.178  -4.692  -4.692
  180   1HD1  ILE  26          HD11      ILE  26  -5.754  -1.690  -1.690
  181   2HD1  ILE  26          HD13      ILE  26  -4.408  -0.597  -0.597
  182   3HD1  ILE  26          HD12      ILE  26  -5.114  -0.678  -0.678
  183    H    HIS  27           HN       HIS  27  -4.440  -6.779  -6.779
  184    HA   HIS  27           HA       HIS  27  -5.433  -8.107  -8.107
  185   1HB   HIS  27           HB2      HIS  27  -4.038  -9.667  -9.667
  186   2HB   HIS  27           HB1      HIS  27  -4.390 -10.164 -10.164
  187    HD1  HIS  27           HD1      HIS  27  -2.489  -7.266  -7.266
  188    HD2  HIS  27           HD2      HIS  27  -2.100  -9.989  -9.989
  189    HE1  HIS  27           HE1      HIS  27  -0.321  -6.716  -6.716
  190    H    ALA  28           HN       ALA  28  -7.559  -8.362  -8.362
  191    HA   ALA  28           HA       ALA  28  -8.549  -8.775  -8.775
  192   1HB   ALA  28           HB2      ALA  28  -9.668  -7.675  -7.675
  193   2HB   ALA  28           HB1      ALA  28 -10.790  -8.644  -8.644
  194   3HB   ALA  28           HB3      ALA  28 -10.012  -7.233  -7.233
  195    H    VAL  29           HN       VAL  29 -10.198 -10.477 -10.477
  196    HA   VAL  29           HA       VAL  29 -10.221 -12.684 -12.684
  197    HB   VAL  29           HB       VAL  29  -8.984 -12.787 -12.787
  198   1HG1  VAL  29          HG13      VAL  29 -11.017 -14.193 -14.193
  199   2HG1  VAL  29          HG12      VAL  29 -10.584 -15.102 -15.102
  200   3HG1  VAL  29          HG11      VAL  29  -9.552 -15.176 -15.176
  201   1HG2  VAL  29          HG22      VAL  29  -8.657 -14.143 -14.143
  202   2HG2  VAL  29          HG21      VAL  29  -7.535 -13.053 -13.053
  203   3HG2  VAL  29          HG23      VAL  29  -7.781 -14.687 -14.687
  204    H    ASP  30           HN       ASP  30 -12.390 -12.836 -12.836
  205    HA   ASP  30           HA       ASP  30 -14.276 -12.217 -12.217
  206   1HB   ASP  30           HB2      ASP  30 -15.839 -11.901 -11.901
  207   2HB   ASP  30           HB1      ASP  30 -14.387 -11.673 -11.673
  208    HA   PRO  31           HA       PRO  31 -15.343 -16.363 -16.363
  209   1HB   PRO  31           HB2      PRO  31 -18.071 -16.525 -16.525
  210   2HB   PRO  31           HB1      PRO  31 -17.267 -15.662 -15.662
  211   1HG   PRO  31           HG2      PRO  31 -18.663 -14.553 -14.553
  212   2HG   PRO  31           HG1      PRO  31 -18.371 -13.804 -13.804
  213   1HD   PRO  31           HD2      PRO  31 -16.930 -13.307 -13.307
  214   2HD   PRO  31           HD1      PRO  31 -16.483 -12.758 -12.758
  215    H    ASP  32           HN       ASP  32 -15.009 -15.748 -15.748
  216    HA   ASP  32           HA       ASP  32 -16.278 -18.332 -18.332
  217   1HB   ASP  32           HB2      ASP  32 -16.409 -15.671 -15.671
  218   2HB   ASP  32           HB1      ASP  32 -15.761 -16.850 -16.850
  219    H    GLY  33           HN       GLY  33 -13.470 -17.306 -17.306
  220   1HA   GLY  33           HA2      GLY  33 -11.274 -18.106 -18.106
  221   2HA   GLY  33           HA1      GLY  33 -11.922 -19.115 -19.115
  222    H    VAL  34           HN       VAL  34 -12.607 -15.738 -15.738
  223    HA   VAL  34           HA       VAL  34 -10.672 -14.980 -14.980
  224    HB   VAL  34           HB       VAL  34 -13.491 -14.181 -14.181
  225   1HG1  VAL  34          HG13      VAL  34 -11.578 -13.510 -13.510
  226   2HG1  VAL  34          HG12      VAL  34 -11.232 -15.209 -15.209
  227   3HG1  VAL  34          HG11      VAL  34 -12.738 -14.493 -14.493
  228   1HG2  VAL  34          HG21      VAL  34 -12.473 -17.012 -17.012
  229   2HG2  VAL  34          HG23      VAL  34 -13.919 -16.487 -16.487
  230   3HG2  VAL  34          HG22      VAL  34 -13.847 -16.363 -16.363
  231    H    HIS  35           HN       HIS  35 -10.129 -12.790 -12.790
  232    HA   HIS  35           HA       HIS  35 -10.475 -11.355 -11.355
  233   1HB   HIS  35           HB2      HIS  35 -10.775  -9.941  -9.941
  234   2HB   HIS  35           HB1      HIS  35  -9.997  -9.340  -9.340
  235    HD1  HIS  35           HD1      HIS  35  -7.557 -10.024 -10.024
  236    HD2  HIS  35           HD2      HIS  35  -9.217 -11.905 -11.905
  237    HE1  HIS  35           HE1      HIS  35  -5.643 -11.140 -11.140
  238    H    ARG  36           HN       ARG  36 -12.829 -11.345 -11.345
  239    HA   ARG  36           HA       ARG  36 -15.182 -11.381 -11.381
  240   1HB   ARG  36           HB2      ARG  36 -14.531  -9.388  -9.388
  241   2HB   ARG  36           HB1      ARG  36 -14.188  -8.513  -8.513
  242   1HG   ARG  36           HG2      ARG  36 -16.624  -8.995  -8.995
  243   2HG   ARG  36           HG1      ARG  36 -16.858  -9.462  -9.462
  244   1HD   ARG  36           HD2      ARG  36 -15.878  -7.200  -7.200
  245   2HD   ARG  36           HD1      ARG  36 -16.007  -6.759  -6.759
  246    HE   ARG  36           HE       ARG  36 -18.145  -6.561  -6.561
  247   1HH1  ARG  36          HH21      ARG  36 -17.939  -6.344  -6.344
  248   2HH1  ARG  36          HH22      ARG  36 -19.336  -7.275  -7.275
  249   1HH2  ARG  36          HH11      ARG  36 -19.732  -8.620  -8.620
  250   2HH2  ARG  36          HH12      ARG  36 -20.348  -8.567  -8.567
  251    H    THR  37           HN       THR  37 -15.032 -12.435 -12.435
  252    HA   THR  37           HA       THR  37 -15.467 -12.406 -12.406
  253    HB   THR  37           HB       THR  37 -17.423 -11.029 -11.029
  254    HG1  THR  37           HG1      THR  37 -17.588 -10.023 -10.023
  255   1HG2  THR  37          HG21      THR  37 -17.620 -13.155 -13.155
  256   2HG2  THR  37          HG23      THR  37 -17.843 -12.096 -12.096
  257   3HG2  THR  37          HG22      THR  37 -19.000 -12.056 -12.056
  258    H    ASP  38           HN       ASP  38 -13.303 -11.592 -11.592
  259    HA   ASP  38           HA       ASP  38 -12.360  -8.998  -8.998
  260   1HB   ASP  38           HB2      ASP  38 -11.482 -11.282 -11.282
  261   2HB   ASP  38           HB1      ASP  38 -11.844 -10.267 -10.267
  262    H    GLY  39           HN       GLY  39 -12.022  -7.567  -7.567
  263   1HA   GLY  39           HA2      GLY  39 -13.069  -6.568  -6.568
  264   2HA   GLY  39           HA1      GLY  39 -14.592  -7.324  -7.324
  265    H    GLY  40           HN       GLY  40 -14.644  -6.563  -6.563
  266   1HA   GLY  40           HA2      GLY  40 -14.250  -3.677  -3.677
  267   2HA   GLY  40           HA1      GLY  40 -15.943  -4.140  -4.140
  268    H    ASP  41           HN       ASP  41 -13.054  -4.658  -4.658
  269    HA   ASP  41           HA       ASP  41 -14.771  -5.783  -5.783
  270   1HB   ASP  41           HB2      ASP  41 -11.798  -5.336  -5.336
  271   2HB   ASP  41           HB1      ASP  41 -12.492  -5.682  -5.682
  272    H    GLY  42           HN       GLY  42 -15.391  -4.627  -4.627
  273   1HA   GLY  42           HA2      GLY  42 -15.351  -1.740  -1.740
  274   2HA   GLY  42           HA1      GLY  42 -15.943  -2.676  -2.676
  275    H    PHE  43           HN       PHE  43 -12.773  -2.166  -2.166
  276    HA   PHE  43           HA       PHE  43 -11.539  -2.073  -2.073
  277   1HB   PHE  43           HB2      PHE  43 -10.758  -3.120  -3.120
  278   2HB   PHE  43           HB1      PHE  43  -9.614  -1.858  -1.858
  279    HD1  PHE  43           HD2      PHE  43  -9.905  -2.193  -2.193
  280    HD2  PHE  43           HD1      PHE  43  -9.334  -5.004  -5.004
  281    HE1  PHE  43           HE2      PHE  43  -8.789  -3.773  -3.773
  282    HE2  PHE  43           HE1      PHE  43  -8.215  -6.559  -6.559
  283    HZ   PHE  43           HZ       PHE  43  -7.945  -5.946  -5.946
  284    H    VAL  44           HN       VAL  44 -11.982   0.077   0.077
  285    HA   VAL  44           HA       VAL  44 -10.961   2.202   2.202
  286    HB   VAL  44           HB       VAL  44 -13.006   3.063   3.063
  287   1HG1  VAL  44          HG12      VAL  44 -12.785   1.138   1.138
  288   2HG1  VAL  44          HG11      VAL  44 -13.380   2.677   2.677
  289   3HG1  VAL  44          HG13      VAL  44 -14.223   1.852   1.852
  290   1HG2  VAL  44          HG23      VAL  44 -11.147   4.559   4.559
  291   2HG2  VAL  44          HG22      VAL  44 -12.682   4.771   4.771
  292   3HG2  VAL  44          HG21      VAL  44 -11.380   3.854   3.854
  293    H    VAL  45           HN       VAL  45  -8.876   2.681   2.681
  294    HA   VAL  45           HA       VAL  45  -7.855   2.579   2.579
  295    HB   VAL  45           HB       VAL  45  -6.240   2.119   2.119
  296   1HG1  VAL  45          HG13      VAL  45  -5.492   2.715   2.715
  297   2HG1  VAL  45          HG12      VAL  45  -5.297   0.968   0.968
  298   3HG1  VAL  45          HG11      VAL  45  -4.453   2.030   2.030
  299   1HG2  VAL  45          HG23      VAL  45  -8.166   0.416   0.416
  300   2HG2  VAL  45          HG22      VAL  45  -6.866  -0.047  -0.047
  301   3HG2  VAL  45          HG21      VAL  45  -6.636  -0.176  -0.176
  302    H    THR  46           HN       THR  46  -6.401   4.252   4.252
  303    HA   THR  46           HA       THR  46  -5.679   6.296   6.296
  304    HB   THR  46           HB       THR  46  -7.149   7.613   7.613
  305    HG1  THR  46           HG1      THR  46  -9.073   6.802   6.802
  306   1HG2  THR  46          HG22      THR  46  -6.952   7.718   7.718
  307   2HG2  THR  46          HG21      THR  46  -8.216   8.618   8.618
  308   3HG2  THR  46          HG23      THR  46  -6.519   8.951   8.951
  309    H    ILE  47           HN       ILE  47  -3.880   7.285   7.285
  310    HA   ILE  47           HA       ILE  47  -3.072   7.178   7.178
  311    HB   ILE  47           HB       ILE  47  -1.467   6.673   6.673
  312   1HG1  ILE  47          HG12      ILE  47  -2.082   5.283   5.283
  313   2HG1  ILE  47          HG11      ILE  47  -1.720   4.607   4.607
  314   1HG2  ILE  47          HG21      ILE  47  -0.366   7.715   7.715
  315   2HG2  ILE  47          HG23      ILE  47   0.607   7.107   7.107
  316   3HG2  ILE  47          HG22      ILE  47  -0.343   8.568   8.568
  317   1HD1  ILE  47          HD13      ILE  47   0.697   5.466   5.466
  318   2HD1  ILE  47          HD12      ILE  47   0.212   5.582   5.582
  319   3HD1  ILE  47          HD11      ILE  47   0.181   4.024   4.024
  320    H    GLU  48           HN       GLU  48  -1.741   9.025   9.025
  321    HA   GLU  48           HA       GLU  48  -1.246  11.153  11.153
  322   1HB   GLU  48           HB2      GLU  48  -2.882  12.793  12.793
  323   2HB   GLU  48           HB1      GLU  48  -3.550  11.676  11.676
  324   1HG   GLU  48           HG2      GLU  48  -4.826  10.656  10.656
  325   2HG   GLU  48           HG1      GLU  48  -3.455  10.471  10.471
  326    H    GLY  49           HN       GLY  49  -0.243  12.965  12.965
  327   1HA   GLY  49           HA2      GLY  49   0.254  13.101  13.101
  328   2HA   GLY  49           HA1      GLY  49   1.649  12.501  12.501
  329    HA   PRO  50           HA       PRO  50   1.689  17.132  17.132
  330   1HB   PRO  50           HB2      PRO  50   4.259  17.390  17.390
  331   2HB   PRO  50           HB1      PRO  50   2.822  17.384  17.384
  332   1HG   PRO  50           HG2      PRO  50   4.836  15.219  15.219
  333   2HG   PRO  50           HG1      PRO  50   3.833  15.551  15.551
  334   1HD   PRO  50           HD2      PRO  50   3.334  13.542  13.542
  335   2HD   PRO  50           HD1      PRO  50   2.157  14.159  14.159
  336    H    ALA  51           HN       ALA  51   1.716  16.228  16.228
  337    HA   ALA  51           HA       ALA  51   4.249  17.041  17.041
  338   1HB   ALA  51           HB3      ALA  51   3.891  14.343  14.343
  339   2HB   ALA  51           HB2      ALA  51   3.377  14.479  14.479
  340   3HB   ALA  51           HB1      ALA  51   4.994  15.001  15.001
  341    HA   PRO  52           HA       PRO  52   1.605  18.098  18.098
  342   1HB   PRO  52           HB2      PRO  52   3.012  17.291  17.291
  343   2HB   PRO  52           HB1      PRO  52   3.458  18.694  18.694
  344   1HG   PRO  52           HG2      PRO  52   4.737  16.002  16.002
  345   2HG   PRO  52           HG1      PRO  52   5.452  17.565  17.565
  346   1HD   PRO  52           HD2      PRO  52   4.673  15.552  15.552
  347   2HD   PRO  52           HD1      PRO  52   5.059  17.236  17.236
  348    H    VAL  53           HN       VAL  53   2.994  14.904  14.904
  349    HA   VAL  53           HA       VAL  53   0.383  14.076  14.076
  350    HB   VAL  53           HB       VAL  53   2.883  12.389  12.389
  351   1HG1  VAL  53          HG13      VAL  53   0.318  11.888  11.888
  352   2HG1  VAL  53          HG12      VAL  53   1.221  12.272  12.272
  353   3HG1  VAL  53          HG11      VAL  53   1.763  10.965  10.965
  354   1HG2  VAL  53          HG22      VAL  53   3.236  14.735  14.735
  355   2HG2  VAL  53          HG21      VAL  53   3.727  13.343  13.343
  356   3HG2  VAL  53          HG23      VAL  53   2.208  14.166  14.166
  357    H    ASP  54           HN       ASP  54  -0.629  14.137  14.137
  358    HA   ASP  54           HA       ASP  54   0.345  12.043  12.043
  359   1HB   ASP  54           HB2      ASP  54  -1.852  14.106  14.106
  360   2HB   ASP  54           HB1      ASP  54  -1.521  12.891  12.891
  361    HA   PRO  55           HA       PRO  55  -3.920  10.179  10.179
  362   1HB   PRO  55           HB2      PRO  55  -5.403  11.338  11.338
  363   2HB   PRO  55           HB1      PRO  55  -5.523  11.817  11.817
  364   1HG   PRO  55           HG2      PRO  55  -4.230  13.257  13.257
  365   2HG   PRO  55           HG1      PRO  55  -4.897  13.905  13.905
  366   1HD   PRO  55           HD2      PRO  55  -2.146  13.475  13.475
  367   2HD   PRO  55           HD1      PRO  55  -2.851  13.867  13.867
  368    H    VAL  56           HN       VAL  56  -2.607   8.492   8.492
  369    HA   VAL  56           HA       VAL  56  -2.651   8.548   8.548
  370    HB   VAL  56           HB       VAL  56  -0.429   7.414   7.414
  371   1HG1  VAL  56          HG12      VAL  56  -1.143   7.413   7.413
  372   2HG1  VAL  56          HG11      VAL  56   0.379   8.279   8.279
  373   3HG1  VAL  56          HG13      VAL  56   0.223   6.619   6.619
  374   1HG2  VAL  56          HG23      VAL  56  -1.059  10.192  10.192
  375   2HG2  VAL  56          HG22      VAL  56   0.257   9.532   9.532
  376   3HG2  VAL  56          HG21      VAL  56   0.465   9.742   9.742
  377    H    MET  57           HN       MET  57  -4.400   7.012   7.012
  378    HA   MET  57           HA       MET  57  -3.487   4.292   4.292
  379   1HB   MET  57           HB2      MET  57  -5.507   3.704   3.704
  380   2HB   MET  57           HB1      MET  57  -4.990   5.235   5.235
  381   1HG   MET  57           HG2      MET  57  -6.894   5.193   5.193
  382   2HG   MET  57           HG1      MET  57  -7.488   4.963   4.963
  383   1HE   MET  57           HE1      MET  57  -8.916   6.500   6.500
  384   2HE   MET  57           HE3      MET  57  -8.488   7.697   7.697
  385   3HE   MET  57           HE2      MET  57  -8.774   8.202   8.202
  386    H    VAL  58           HN       VAL  58  -4.045   2.731   2.731
  387    HA   VAL  58           HA       VAL  58  -5.955   3.511   3.511
  388    HB   VAL  58           HB       VAL  58  -3.784   1.879   1.879
  389   1HG1  VAL  58          HG12      VAL  58  -5.582   3.457   3.457
  390   2HG1  VAL  58          HG11      VAL  58  -4.377   4.712   4.712
  391   3HG1  VAL  58          HG13      VAL  58  -3.979   3.326   3.326
  392   1HG2  VAL  58          HG22      VAL  58  -2.563   3.197   3.197
  393   2HG2  VAL  58          HG21      VAL  58  -1.956   3.425   3.425
  394   3HG2  VAL  58          HG23      VAL  58  -2.981   4.655   4.655
  395    H    ASP  59           HN       ASP  59  -6.885   1.665   1.665
  396    HA   ASP  59           HA       ASP  59  -6.748  -0.863  -0.863
  397   1HB   ASP  59           HB2      ASP  59  -8.952   0.136   0.136
  398   2HB   ASP  59           HB1      ASP  59  -9.019   0.342   0.342
  399    H    ASN  60           HN       ASN  60  -5.991  -2.633  -2.633
  400    HA   ASN  60           HA       ASN  60  -5.428  -2.335  -2.335
  401   1HB   ASN  60           HB2      ASN  60  -4.381  -3.937  -3.937
  402   2HB   ASN  60           HB1      ASN  60  -4.627  -4.886  -4.886
  403   1HD2  ASN  60          HD22      ASN  60  -1.253  -3.140  -3.140
  404   2HD2  ASN  60          HD21      ASN  60  -2.005  -4.110  -4.110
  405    H    GLY  61           HN       GLY  61  -8.019  -3.500  -3.500
  406   1HA   GLY  61           HA2      GLY  61  -9.941  -4.616  -4.616
  407   2HA   GLY  61           HA1      GLY  61  -9.218  -4.656  -4.656
  408    H    ASP  62           HN       ASP  62  -7.166  -5.916  -5.916
  409    HA   ASP  62           HA       ASP  62  -7.928  -8.691  -8.691
  410   1HB   ASP  62           HB2      ASP  62  -5.530  -9.259  -9.259
  411   2HB   ASP  62           HB1      ASP  62  -5.723  -8.115  -8.115
  412    H    GLY  63           HN       GLY  63  -9.205  -7.420  -7.420
  413   1HA   GLY  63           HA2      GLY  63  -9.741  -7.838  -7.838
  414   2HA   GLY  63           HA1      GLY  63  -8.876  -9.360  -9.360
  415    H    THR  64           HN       THR  64  -6.939  -6.685  -6.685
  416    HA   THR  64           HA       THR  64  -5.886  -6.450  -6.450
  417    HB   THR  64           HB       THR  64  -3.567  -6.612  -6.612
  418    HG1  THR  64           HG1      THR  64  -4.518  -8.038  -8.038
  419   1HG2  THR  64          HG23      THR  64  -5.413  -9.001  -9.001
  420   2HG2  THR  64          HG22      THR  64  -3.655  -9.127  -9.127
  421   3HG2  THR  64          HG21      THR  64  -4.446  -8.510  -8.510
  422    H    TYR  65           HN       TYR  65  -4.804  -4.433  -4.433
  423    HA   TYR  65           HA       TYR  65  -5.083  -2.478  -2.478
  424   1HB   TYR  65           HB2      TYR  65  -5.736  -2.099  -2.099
  425   2HB   TYR  65           HB1      TYR  65  -5.684  -0.786  -0.786
  426    HD1  TYR  65           HD2      TYR  65  -7.094  -4.262  -4.262
  427    HD2  TYR  65           HD1      TYR  65  -7.703  -0.195  -0.195
  428    HE1  TYR  65           HE2      TYR  65  -9.346  -4.846  -4.846
  429    HE2  TYR  65           HE1      TYR  65  -9.964  -0.776  -0.776
  430    HH   TYR  65           HH       TYR  65 -11.645  -2.409  -2.409
  431    H    ASP  66           HN       ASP  66  -3.604  -0.668  -0.668
  432    HA   ASP  66           HA       ASP  66  -1.175  -1.158  -1.158
  433   1HB   ASP  66           HB2      ASP  66  -1.244  -0.141  -0.141
  434   2HB   ASP  66           HB1      ASP  66   0.202  -0.425  -0.425
  435    H    VAL  67           HN       VAL  67  -0.772   0.569   0.569
  436    HA   VAL  67           HA       VAL  67  -1.748   3.229   3.229
  437    HB   VAL  67           HB       VAL  67  -2.415   3.754   3.754
  438   1HG1  VAL  67          HG13      VAL  67  -3.264   1.300   1.300
  439   2HG1  VAL  67          HG12      VAL  67  -3.139   1.034   1.034
  440   3HG1  VAL  67          HG11      VAL  67  -4.165   2.326   2.326
  441   1HG2  VAL  67          HG23      VAL  67  -0.447   1.671   1.671
  442   2HG2  VAL  67          HG22      VAL  67  -0.741   3.254   3.254
  443   3HG2  VAL  67          HG21      VAL  67  -1.827   1.909   1.909
  444    H    GLU  68           HN       GLU  68  -0.227   5.003   5.003
  445    HA   GLU  68           HA       GLU  68   2.329   4.387   4.387
  446   1HB   GLU  68           HB2      GLU  68   2.334   5.223   5.223
  447   2HB   GLU  68           HB1      GLU  68   3.729   4.796   4.796
  448   1HG   GLU  68           HG2      GLU  68   3.338   2.834   2.834
  449   2HG   GLU  68           HG1      GLU  68   2.526   2.493   2.493
  450    H    PHE  69           HN       PHE  69   3.145   6.156   6.156
  451    HA   PHE  69           HA       PHE  69   2.621   8.803   8.803
  452   1HB   PHE  69           HB2      PHE  69   2.181   9.895   9.895
  453   2HB   PHE  69           HB1      PHE  69   1.055   8.550   8.550
  454    HD1  PHE  69           HD2      PHE  69   2.080   6.230   6.230
  455    HD2  PHE  69           HD1      PHE  69   3.284  10.162  10.162
  456    HE1  PHE  69           HE2      PHE  69   2.942   5.310   5.310
  457    HE2  PHE  69           HE1      PHE  69   4.146   9.235   9.235
  458    HZ   PHE  69           HZ       PHE  69   3.958   6.791   6.791
  459    H    GLU  70           HN       GLU  70   4.397  10.382  10.382
  460    HA   GLU  70           HA       GLU  70   6.763   9.184   9.184
  461   1HB   GLU  70           HB2      GLU  70   7.033   8.428   8.428
  462   2HB   GLU  70           HB1      GLU  70   6.737  10.055  10.055
  463   1HG   GLU  70           HG2      GLU  70   8.758  10.866  10.866
  464   2HG   GLU  70           HG1      GLU  70   9.055   9.240   9.240
  465    HA   PRO  71           HA       PRO  71   6.567  13.649  13.649
  466   1HB   PRO  71           HB2      PRO  71   7.447  13.340  13.340
  467   2HB   PRO  71           HB1      PRO  71   5.750  13.173  13.173
  468   1HG   PRO  71           HG2      PRO  71   7.706  11.049  11.049
  469   2HG   PRO  71           HG1      PRO  71   5.940  11.029  11.029
  470   1HD   PRO  71           HD2      PRO  71   7.514   9.790   9.790
  471   2HD   PRO  71           HD1      PRO  71   5.753  10.022  10.022
  472    H    LYS  72           HN       LYS  72   8.371  15.068  15.068
  473    HA   LYS  72           HA       LYS  72  11.118  13.978  13.978
  474   1HB   LYS  72           HB2      LYS  72  10.225  16.703  16.703
  475   2HB   LYS  72           HB1      LYS  72  11.737  15.874  15.874
  476   1HG   LYS  72           HG2      LYS  72   9.832  14.054  14.054
  477   2HG   LYS  72           HG1      LYS  72   9.110  15.603  15.603
  478   1HD   LYS  72           HD2      LYS  72  10.811  16.133  16.133
  479   2HD   LYS  72           HD1      LYS  72  12.004  15.163  15.163
  480   1HE   LYS  72           HE2      LYS  72  10.172  13.263  13.263
  481   2HE   LYS  72           HE1      LYS  72  10.168  14.382  14.382
  482   1HZ   LYS  72           HZ3      LYS  72  12.713  13.485  13.485
  483   2HZ   LYS  72           HZ2      LYS  72  11.899  12.503  12.503
  484   3HZ   LYS  72           HZ1      LYS  72  12.408  14.062  14.062
  485    H    GLU  73           HN       GLU  73   9.601  14.664  14.664
  486    HA   GLU  73           HA       GLU  73  11.713  16.337  16.337
  487   1HB   GLU  73           HB2      GLU  73  10.179  17.976  17.976
  488   2HB   GLU  73           HB1      GLU  73   9.957  17.947  17.947
  489   1HG   GLU  73           HG2      GLU  73   7.862  17.040  17.040
  490   2HG   GLU  73           HG1      GLU  73   8.268  16.062  16.062
  491    H    ALA  74           HN       ALA  74  10.350  16.747  16.747
  492    HA   ALA  74           HA       ALA  74  10.341  13.976  13.976
  493   1HB   ALA  74           HB3      ALA  74  10.240  16.683  16.683
  494   2HB   ALA  74           HB2      ALA  74  10.165  15.146  15.146
  495   3HB   ALA  74           HB1      ALA  74  11.610  15.572  15.572
  496    H    GLY  75           HN       GLY  75   8.389  12.934  12.934
  497   1HA   GLY  75           HA2      GLY  75   5.984  14.413  14.413
  498   2HA   GLY  75           HA1      GLY  75   5.979  13.866  13.866
  499    H    ASP  76           HN       ASP  76   4.108  12.998  12.998
  500    HA   ASP  76           HA       ASP  76   4.881  10.138  10.138
  501   1HB   ASP  76           HB2      ASP  76   2.703  10.322  10.322
  502   2HB   ASP  76           HB1      ASP  76   4.260  10.864  10.864
  503    H    TYR  77           HN       TYR  77   3.181   8.594   8.594
  504    HA   TYR  77           HA       TYR  77   1.473   9.642   9.642
  505   1HB   TYR  77           HB2      TYR  77   2.165   6.749   6.749
  506   2HB   TYR  77           HB1      TYR  77   1.695   7.613   7.613
  507    HD1  TYR  77           HD2      TYR  77   3.494  10.008  10.008
  508    HD2  TYR  77           HD1      TYR  77   4.203   5.803   5.803
  509    HE1  TYR  77           HE2      TYR  77   5.848  10.334  10.334
  510    HE2  TYR  77           HE1      TYR  77   6.553   6.116   6.116
  511    HH   TYR  77           HH       TYR  77   7.754   8.208   8.208
  512    H    VAL  78           HN       VAL  78  -0.622   9.236   9.236
  513    HA   VAL  78           HA       VAL  78  -1.736   7.514   7.514
  514    HB   VAL  78           HB       VAL  78  -2.681   9.636   9.636
  515   1HG1  VAL  78          HG11      VAL  78  -2.456   9.851   9.851
  516   2HG1  VAL  78          HG13      VAL  78  -3.734  10.779  10.779
  517   3HG1  VAL  78          HG12      VAL  78  -2.050  11.034  11.034
  518   1HG2  VAL  78          HG21      VAL  78  -4.325   7.708   7.708
  519   2HG2  VAL  78          HG23      VAL  78  -4.987   9.342   9.342
  520   3HG2  VAL  78          HG22      VAL  78  -4.646   8.487   8.487
  521    H    ILE  79           HN       ILE  79  -2.692   5.693   5.693
  522    HA   ILE  79           HA       ILE  79  -3.057   5.650   5.650
  523    HB   ILE  79           HB       ILE  79  -1.182   4.348   4.348
  524   1HG1  ILE  79          HG12      ILE  79  -2.685   1.943   1.943
  525   2HG1  ILE  79          HG11      ILE  79  -3.435   3.112   3.112
  526   1HG2  ILE  79          HG22      ILE  79  -2.693   3.883   3.883
  527   2HG2  ILE  79          HG21      ILE  79  -2.230   2.328   2.328
  528   3HG2  ILE  79          HG23      ILE  79  -0.997   3.527   3.527
  529   1HD1  ILE  79          HD12      ILE  79  -0.491   3.036   3.036
  530   2HD1  ILE  79          HD11      ILE  79  -1.287   1.566   1.566
  531   3HD1  ILE  79          HD13      ILE  79  -1.662   3.113   3.113
  532    H    ASN  80           HN       ASN  80  -4.694   4.298   4.298
  533    HA   ASN  80           HA       ASN  80  -6.868   3.475   3.475
  534   1HB   ASN  80           HB2      ASN  80  -7.449   5.438   5.438
  535   2HB   ASN  80           HB1      ASN  80  -8.497   4.941   4.941
  536   1HD2  ASN  80          HD22      ASN  80  -5.970   8.019   8.019
  537   2HD2  ASN  80          HD21      ASN  80  -6.183   7.295   7.295
  538    H    LEU  81           HN       LEU  81  -7.328   1.517   1.517
  539    HA   LEU  81           HA       LEU  81  -7.755   1.055   1.055
  540   1HB   LEU  81           HB2      LEU  81  -5.680  -0.033  -0.033
  541   2HB   LEU  81           HB1      LEU  81  -6.029  -0.538  -0.538
  542    HG   LEU  81           HG       LEU  81  -6.066  -2.302  -2.302
  543   1HD1  LEU  81          HD12      LEU  81  -7.204  -2.138  -2.138
  544   2HD1  LEU  81          HD11      LEU  81  -8.598  -2.528  -2.528
  545   3HD1  LEU  81          HD13      LEU  81  -7.188  -3.586  -3.586
  546   1HD2  LEU  81          HD21      LEU  81  -8.060  -0.531  -0.531
  547   2HD2  LEU  81          HD23      LEU  81  -7.615  -2.098  -2.098
  548   3HD2  LEU  81          HD22      LEU  81  -8.893  -1.979  -1.979
  549    H    THR  82           HN       THR  82  -9.822   0.520   0.520
  550    HA   THR  82           HA       THR  82 -11.132  -0.971  -0.971
  551    HB   THR  82           HB       THR  82 -13.193   0.393   0.393
  552    HG1  THR  82           HG1      THR  82 -11.428   1.232   1.232
  553   1HG2  THR  82          HG21      THR  82 -10.997   1.009   1.009
  554   2HG2  THR  82          HG23      THR  82 -11.835   2.457   2.457
  555   3HG2  THR  82          HG22      THR  82 -12.734   1.172   1.172
  556    H    LEU  83           HN       LEU  83 -12.388  -2.695  -2.695
  557    HA   LEU  83           HA       LEU  83 -13.131  -3.023  -3.023
  558   1HB   LEU  83           HB2      LEU  83 -11.033  -4.337  -4.337
  559   2HB   LEU  83           HB1      LEU  83 -12.030  -5.309  -5.309
  560    HG   LEU  83           HG       LEU  83 -11.628  -6.141  -6.141
  561   1HD1  LEU  83          HD11      LEU  83 -13.338  -6.923  -6.923
  562   2HD1  LEU  83          HD13      LEU  83 -14.520  -6.021  -6.021
  563   3HD1  LEU  83          HD12      LEU  83 -13.639  -7.361  -7.361
  564   1HD2  LEU  83          HD21      LEU  83 -12.304  -3.906  -3.906
  565   2HD2  LEU  83          HD23      LEU  83 -13.171  -5.288  -5.288
  566   3HD2  LEU  83          HD22      LEU  83 -13.954  -4.247  -4.247
  567    H    ASP  84           HN       ASP  84 -15.185  -2.278  -2.278
  568    HA   ASP  84           HA       ASP  84 -17.323  -3.772  -3.772
  569   1HB   ASP  84           HB2      ASP  84 -15.811  -4.652  -4.652
  570   2HB   ASP  84           HB1      ASP  84 -17.574  -4.641  -4.641
  571    H    GLY  85           HN       GLY  85 -15.474  -1.594  -1.594
  572   1HA   GLY  85           HA2      GLY  85 -16.773   0.650   0.650
  573   2HA   GLY  85           HA1      GLY  85 -17.934  -0.314  -0.314
  574    H    ASP  86           HN       ASP  86 -14.917  -1.618  -1.618
  575    HA   ASP  86           HA       ASP  86 -14.542   0.236   0.236
  576   1HB   ASP  86           HB2      ASP  86 -13.712  -1.912  -1.912
  577   2HB   ASP  86           HB1      ASP  86 -15.455  -1.729  -1.729
  578    H    ASN  87           HN       ASN  87 -12.177  -0.184  -0.184
  579    HA   ASN  87           HA       ASN  87 -10.391  -0.300  -0.300
  580   1HB   ASN  87           HB2      ASN  87  -8.747   0.760   0.760
  581   2HB   ASN  87           HB1      ASN  87 -10.030   1.766   1.766
  582   1HD2  ASN  87          HD22      ASN  87 -10.893   2.546   2.546
  583   2HD2  ASN  87          HD21      ASN  87 -10.321   3.131   3.131
  584    H    VAL  88           HN       VAL  88  -8.402  -1.523  -1.523
  585    HA   VAL  88           HA       VAL  88  -8.723  -4.016  -4.016
  586    HB   VAL  88           HB       VAL  88  -6.557  -2.737  -2.737
  587   1HG1  VAL  88          HG11      VAL  88  -5.375  -3.826  -3.826
  588   2HG1  VAL  88          HG13      VAL  88  -6.195  -5.335  -5.335
  589   3HG1  VAL  88          HG12      VAL  88  -5.058  -4.626  -4.626
  590   1HG2  VAL  88          HG23      VAL  88  -8.431  -3.960  -3.960
  591   2HG2  VAL  88          HG22      VAL  88  -6.903  -4.796  -4.796
  592   3HG2  VAL  88          HG21      VAL  88  -8.024  -5.388  -5.388
  593    H    ASN  89           HN       ASN  89  -6.831  -4.816  -4.816
  594    HA   ASN  89           HA       ASN  89  -6.851  -2.985  -2.985
  595   1HB   ASN  89           HB2      ASN  89  -7.093  -5.548  -5.548
  596   2HB   ASN  89           HB1      ASN  89  -5.338  -5.587  -5.587
  597   1HD2  ASN  89          HD22      ASN  89  -6.406  -5.408  -5.408
  598   2HD2  ASN  89          HD21      ASN  89  -6.949  -6.391  -6.391
  599    H    GLY  90           HN       GLY  90  -5.125  -2.382  -2.382
  600   1HA   GLY  90           HA2      GLY  90  -2.751  -1.563  -1.563
  601   2HA   GLY  90           HA1      GLY  90  -2.445  -2.545  -2.545
  602    H    PHE  91           HN       PHE  91  -5.181  -0.508  -0.508
  603    HA   PHE  91           HA       PHE  91  -3.733   1.335   1.335
  604   1HB   PHE  91           HB2      PHE  91  -6.246  -0.164  -0.164
  605   2HB   PHE  91           HB1      PHE  91  -6.336   1.507   1.507
  606    HD1  PHE  91           HD1      PHE  91  -4.513  -1.708  -1.708
  607    HD2  PHE  91           HD2      PHE  91  -5.156   2.206   2.206
  608    HE1  PHE  91           HE1      PHE  91  -3.208  -2.275  -2.275
  609    HE2  PHE  91           HE2      PHE  91  -3.889   1.674   1.674
  610    HZ   PHE  91           HZ       PHE  91  -2.911  -0.595  -0.595
  611    HA   PRO  92           HA       PRO  92  -6.638   4.235   4.235
  612   1HB   PRO  92           HB2      PRO  92  -7.619   3.430   3.430
  613   2HB   PRO  92           HB1      PRO  92  -8.518   3.295   3.295
  614   1HG   PRO  92           HG2      PRO  92  -7.160   1.158   1.158
  615   2HG   PRO  92           HG1      PRO  92  -8.539   1.034   1.034
  616   1HD   PRO  92           HD2      PRO  92  -5.884   0.317   0.317
  617   2HD   PRO  92           HD1      PRO  92  -7.178   0.542   0.542
  618    H    LYS  93           HN       LYS  93  -3.901   2.851   2.851
  619    HA   LYS  93           HA       LYS  93  -3.184   4.221   4.221
  620   1HB   LYS  93           HB2      LYS  93  -2.629   1.752   1.752
  621   2HB   LYS  93           HB1      LYS  93  -1.498   2.303   2.303
  622   1HG   LYS  93           HG2      LYS  93  -0.146   3.439   3.439
  623   2HG   LYS  93           HG1      LYS  93  -1.415   3.434   3.434
  624   1HD   LYS  93           HD2      LYS  93  -0.446   0.793   0.793
  625   2HD   LYS  93           HD1      LYS  93   0.607   1.694   1.694
  626   1HE   LYS  93           HE2      LYS  93  -1.179   1.844   1.844
  627   2HE   LYS  93           HE1      LYS  93  -2.298   1.037   1.037
  628   1HZ   LYS  93           HZ3      LYS  93   0.233  -0.291  -0.291
  629   2HZ   LYS  93           HZ2      LYS  93  -0.991  -0.295  -0.295
  630   3HZ   LYS  93           HZ1      LYS  93  -1.282  -0.966  -0.966
  631    H    THR  94           HN       THR  94  -0.902   5.140   5.140
  632    HA   THR  94           HA       THR  94  -0.509   6.527   6.527
  633    HB   THR  94           HB       THR  94  -0.016   7.728   7.728
  634    HG1  THR  94           HG1      THR  94  -2.273   7.232   7.232
  635   1HG2  THR  94          HG21      THR  94   1.189   8.515   8.515
  636   2HG2  THR  94          HG23      THR  94  -0.388   9.134   9.134
  637   3HG2  THR  94          HG22      THR  94   0.376   9.737   9.737
  638    H    VAL  95           HN       VAL  95   1.513   6.357   6.357
  639    HA   VAL  95           HA       VAL  95   3.517   5.132   5.132
  640    HB   VAL  95           HB       VAL  95   3.239   5.212   5.212
  641   1HG1  VAL  95          HG12      VAL  95   5.780   4.961   4.961
  642   2HG1  VAL  95          HG11      VAL  95   5.569   4.049   4.049
  643   3HG1  VAL  95          HG13      VAL  95   5.501   5.808   5.808
  644   1HG2  VAL  95          HG22      VAL  95   2.705   3.347   3.347
  645   2HG2  VAL  95          HG21      VAL  95   2.943   2.987   2.987
  646   3HG2  VAL  95          HG23      VAL  95   4.295   2.853   2.853
  647    H    THR  96           HN       THR  96   5.699   6.128   6.128
  648    HA   THR  96           HA       THR  96   5.497   9.043   9.043
  649    HB   THR  96           HB       THR  96   7.067   7.865   7.865
  650    HG1  THR  96           HG1      THR  96   5.025   8.946   8.946
  651   1HG2  THR  96          HG22      THR  96   6.014  10.633  10.633
  652   2HG2  THR  96          HG21      THR  96   6.823  10.190  10.190
  653   3HG2  THR  96          HG23      THR  96   7.703  10.125  10.125
  654    H    VAL  97           HN       VAL  97   7.175  10.109  10.109
  655    HA   VAL  97           HA       VAL  97   9.766   8.720   8.720
  656    HB   VAL  97           HB       VAL  97   7.974  10.033  10.033
  657   1HG1  VAL  97          HG13      VAL  97  10.995   9.962   9.962
  658   2HG1  VAL  97          HG12      VAL  97  10.005  10.226  10.226
  659   3HG1  VAL  97          HG11      VAL  97   9.965  11.390  11.390
  660   1HG2  VAL  97          HG21      VAL  97   9.650   7.567   7.567
  661   2HG2  VAL  97          HG23      VAL  97   7.997   7.720   7.720
  662   3HG2  VAL  97          HG22      VAL  97   9.344   8.206   8.206
  663    H    LYS  98           HN       LYS  98  11.459  10.048  10.048
  664    HA   LYS  98           HA       LYS  98  10.752  12.911  12.911
  665   1HB   LYS  98           HB2      LYS  98  12.894  12.165  12.165
  666   2HB   LYS  98           HB1      LYS  98  11.266  12.683  12.683
  667   1HG   LYS  98           HG2      LYS  98  10.440  10.449  10.449
  668   2HG   LYS  98           HG1      LYS  98  11.872   9.836   9.836
  669   1HD   LYS  98           HD2      LYS  98  13.224  10.056  10.056
  670   2HD   LYS  98           HD1      LYS  98  12.103  11.178  11.178
  671   1HE   LYS  98           HE2      LYS  98  10.689   8.755   8.755
  672   2HE   LYS  98           HE1      LYS  98  12.203   8.334   8.334
  673   1HZ   LYS  98           HZ3      LYS  98  11.031  10.617  10.617
  674   2HZ   LYS  98           HZ2      LYS  98   9.922   9.329   9.329
  675   3HZ   LYS  98           HZ1      LYS  98  11.445   9.130   9.130
  676    HA   PRO  99           HA       PRO  99  15.342  13.199  13.199
  677   1HB   PRO  99           HB2      PRO  99  16.801  10.906  10.906
  678   2HB   PRO  99           HB1      PRO  99  16.620  11.699  11.699
  679   1HG   PRO  99           HG2      PRO  99  15.329   9.207   9.207
  680   2HG   PRO  99           HG1      PRO  99  15.705   9.682   9.682
  681   1HD   PRO  99           HD2      PRO  99  13.167   9.802   9.802
  682   2HD   PRO  99           HD1      PRO  99  13.631  10.599  10.599
  683    H    ALA 100           HN       ALA 100  13.833  13.621  13.621
  684    HA   ALA 100           HA       ALA 100  14.224  11.753  11.753
  685   1HB   ALA 100           HB2      ALA 100  12.215  13.463  13.463
  686   2HB   ALA 100           HB1      ALA 100  13.230  14.529  14.529
  687   3HB   ALA 100           HB3      ALA 100  12.670  13.000  13.000

  Start of MODEL   17
    1   1H    ALA   1           HT2      ALA   1 -18.501 -11.295 -11.295
    2   2H    ALA   1           HT1      ALA   1 -19.549 -11.374 -11.374
    3   3H    ALA   1           HT3      ALA   1 -18.401 -12.597 -12.597
    4    HA   ALA   1           HA       ALA   1 -17.589 -11.202 -11.202
    5   1HB   ALA   1           HB3      ALA   1 -19.022  -9.228  -9.228
    6   2HB   ALA   1           HB2      ALA   1 -17.359  -8.780  -8.780
    7   3HB   ALA   1           HB1      ALA   1 -17.867  -8.954  -8.954
    8    H    ASP   2           HN       ASP   2 -15.666  -9.187  -9.187
    9    HA   ASP   2           HA       ASP   2 -13.829 -11.047 -11.047
   10   1HB   ASP   2           HB2      ASP   2 -13.078 -10.672 -10.672
   11   2HB   ASP   2           HB1      ASP   2 -13.195  -8.927  -8.927
   12    HA   PRO   3           HA       PRO   3 -14.166  -6.968  -6.968
   13   1HB   PRO   3           HB2      PRO   3 -15.875  -7.737  -7.737
   14   2HB   PRO   3           HB1      PRO   3 -16.429  -6.944  -6.944
   15   1HG   PRO   3           HG2      PRO   3 -16.634  -9.822  -9.822
   16   2HG   PRO   3           HG1      PRO   3 -17.701  -8.862  -8.862
   17   1HD   PRO   3           HD2      PRO   3 -15.770 -10.688 -10.688
   18   2HD   PRO   3           HD1      PRO   3 -16.533  -9.402  -9.402
   19    H    GLU   4           HN       GLU   4 -13.321 -10.170 -10.170
   20    HA   GLU   4           HA       GLU   4 -11.787  -9.709  -9.709
   21   1HB   GLU   4           HB2      GLU   4 -13.979 -11.460 -11.460
   22   2HB   GLU   4           HB1      GLU   4 -12.527 -12.455 -12.455
   23   1HG   GLU   4           HG2      GLU   4 -11.939 -11.004 -11.004
   24   2HG   GLU   4           HG1      GLU   4 -13.624 -10.486 -10.486
   25    H    LYS   5           HN       LYS   5 -11.353 -10.091 -10.091
   26    HA   LYS   5           HA       LYS   5  -8.907 -11.726 -11.726
   27   1HB   LYS   5           HB2      LYS   5 -11.271 -12.623 -12.623
   28   2HB   LYS   5           HB1      LYS   5  -9.952 -12.426 -12.426
   29   1HG   LYS   5           HG2      LYS   5  -9.529 -14.583 -14.583
   30   2HG   LYS   5           HG1      LYS   5  -8.559 -13.663 -13.663
   31   1HD   LYS   5           HD2      LYS   5  -9.745 -14.657 -14.657
   32   2HD   LYS   5           HD1      LYS   5 -11.126 -13.693 -13.693
   33   1HE   LYS   5           HE2      LYS   5 -12.172 -15.507 -15.507
   34   2HE   LYS   5           HE1      LYS   5 -10.735 -15.989 -15.989
   35   1HZ   LYS   5           HZ3      LYS   5 -11.054 -16.445 -16.445
   36   2HZ   LYS   5           HZ2      LYS   5 -11.488 -17.594 -17.594
   37   3HZ   LYS   5           HZ1      LYS   5  -9.871 -17.096 -17.096
   38    H    SER   6           HN       SER   6  -9.433  -8.917  -8.917
   39    HA   SER   6           HA       SER   6  -8.277  -8.420  -8.420
   40   1HB   SER   6           HB2      SER   6  -9.720  -6.448  -6.448
   41   2HB   SER   6           HB1      SER   6  -9.229  -6.203  -6.203
   42    HG   SER   6           HG       SER   6 -10.949  -7.226  -7.226
   43    H    TYR   7           HN       TYR   7  -6.131  -8.080  -8.080
   44    HA   TYR   7           HA       TYR   7  -5.172  -6.392  -6.392
   45   1HB   TYR   7           HB2      TYR   7  -3.042  -8.025  -8.025
   46   2HB   TYR   7           HB1      TYR   7  -4.335  -8.357  -8.357
   47    HD1  TYR   7           HD2      TYR   7  -6.177  -9.930  -9.930
   48    HD2  TYR   7           HD1      TYR   7  -2.759  -9.355  -9.355
   49    HE1  TYR   7           HE2      TYR   7  -6.739 -12.011 -12.011
   50    HE2  TYR   7           HE1      TYR   7  -3.320 -11.433 -11.433
   51    HH   TYR   7           HH       TYR   7  -4.575 -13.339 -13.339
   52    H    ALA   8           HN       ALA   8  -3.430  -5.039  -5.039
   53    HA   ALA   8           HA       ALA   8  -2.549  -4.982  -4.982
   54   1HB   ALA   8           HB3      ALA   8  -4.031  -3.021  -3.021
   55   2HB   ALA   8           HB2      ALA   8  -2.391  -2.465  -2.465
   56   3HB   ALA   8           HB1      ALA   8  -2.899  -2.733  -2.733
   57    H    GLU   9           HN       GLU   9  -0.345  -5.092  -5.092
   58    HA   GLU   9           HA       GLU   9   1.386  -4.208  -4.208
   59   1HB   GLU   9           HB2      GLU   9   1.277  -7.045  -7.045
   60   2HB   GLU   9           HB1      GLU   9   2.664  -6.409  -6.409
   61   1HG   GLU   9           HG2      GLU   9   1.025  -5.727  -5.727
   62   2HG   GLU   9           HG1      GLU   9  -0.180  -6.701  -6.701
   63    H    GLY  10           HN       GLY  10   3.343  -3.453  -3.453
   64   1HA   GLY  10           HA2      GLY  10   4.451  -4.207  -4.207
   65   2HA   GLY  10           HA1      GLY  10   3.774  -2.585  -2.585
   66    HA   PRO  11           HA       PRO  11   8.098  -2.441  -2.441
   67   1HB   PRO  11           HB2      PRO  11   9.318  -1.320  -1.320
   68   2HB   PRO  11           HB1      PRO  11   9.264  -3.067  -3.067
   69   1HG   PRO  11           HG2      PRO  11   7.686  -1.440  -1.440
   70   2HG   PRO  11           HG1      PRO  11   8.183  -3.137  -3.137
   71   1HD   PRO  11           HD2      PRO  11   5.611  -2.240  -2.240
   72   2HD   PRO  11           HD1      PRO  11   6.248  -3.868  -3.868
   73    H    GLY  12           HN       GLY  12   5.559  -0.616  -0.616
   74   1HA   GLY  12           HA2      GLY  12   6.880   1.991   1.991
   75   2HA   GLY  12           HA1      GLY  12   5.437   1.816   1.816
   76    H    LEU  13           HN       LEU  13   5.595   3.440   3.440
   77    HA   LEU  13           HA       LEU  13   3.924   3.926   3.926
   78   1HB   LEU  13           HB2      LEU  13   2.052   2.713   2.713
   79   2HB   LEU  13           HB1      LEU  13   2.780   1.822   1.822
   80    HG   LEU  13           HG       LEU  13   3.685   0.671   0.671
   81   1HD1  LEU  13          HD11      LEU  13   0.697   0.981   0.981
   82   2HD1  LEU  13          HD13      LEU  13   1.528  -0.042  -0.042
   83   3HD1  LEU  13          HD12      LEU  13   1.703   1.711   1.711
   84   1HD2  LEU  13          HD23      LEU  13   2.328  -0.116  -0.116
   85   2HD2  LEU  13          HD22      LEU  13   3.574  -0.963  -0.963
   86   3HD2  LEU  13          HD21      LEU  13   1.883  -1.094  -1.094
   87    H    ASP  14           HN       ASP  14   6.426   1.759   1.759
   88    HA   ASP  14           HA       ASP  14   6.253   0.941   0.941
   89   1HB   ASP  14           HB2      ASP  14   8.838   1.460   1.460
   90   2HB   ASP  14           HB1      ASP  14   8.457   0.194   0.194
   91    H    GLY  15           HN       GLY  15   6.955   3.843   3.843
   92   1HA   GLY  15           HA2      GLY  15   7.321   6.001   6.001
   93   2HA   GLY  15           HA1      GLY  15   7.379   5.272   5.272
   94    H    GLY  16           HN       GLY  16   9.225   5.818   5.818
   95   1HA   GLY  16           HA2      GLY  16  11.537   5.966   5.966
   96   2HA   GLY  16           HA1      GLY  16  11.730   4.814   4.814
   97    H    GLU  17           HN       GLU  17  11.313   5.916   5.916
   98    HA   GLU  17           HA       GLU  17  12.681   8.574   8.574
   99   1HB   GLU  17           HB2      GLU  17  13.168   6.185   6.185
  100   2HB   GLU  17           HB1      GLU  17  13.624   7.785   7.785
  101   1HG   GLU  17           HG2      GLU  17  15.533   7.543   7.543
  102   2HG   GLU  17           HG1      GLU  17  14.544   7.658   7.658
  103    H    CYS  18           HN       CYS  18  12.018  10.104  10.104
  104    HA   CYS  18           HA       CYS  18   9.433   9.720   9.720
  105   1HB   CYS  18           HB2      CYS  18  11.102  12.107  12.107
  106   2HB   CYS  18           HB1      CYS  18  10.036  12.234  12.234
  107    HG   CYS  18           HG       CYS  18   9.050  12.602  12.602
  108    H    PHE  19           HN       PHE  19  12.792   9.818   9.818
  109    HA   PHE  19           HA       PHE  19  12.282  10.461  10.461
  110   1HB   PHE  19           HB2      PHE  19  14.776   9.992   9.992
  111   2HB   PHE  19           HB1      PHE  19  14.827  10.065  10.065
  112    HD1  PHE  19           HD2      PHE  19  13.014  11.973  11.973
  113    HD2  PHE  19           HD1      PHE  19  15.330  12.054  12.054
  114    HE1  PHE  19           HE2      PHE  19  12.755  14.432  14.432
  115    HE2  PHE  19           HE1      PHE  19  15.058  14.520  14.520
  116    HZ   PHE  19           HZ       PHE  19  13.747  15.688  15.688
  117    H    GLN  20           HN       GLN  20  11.596   7.862   7.862
  118    HA   GLN  20           HA       GLN  20  12.784   5.933   5.933
  119   1HB   GLN  20           HB2      GLN  20  12.301   5.726   5.726
  120   2HB   GLN  20           HB1      GLN  20  10.921   4.888   4.888
  121   1HG   GLN  20           HG2      GLN  20  13.296   4.132   4.132
  122   2HG   GLN  20           HG1      GLN  20  13.574   3.916   3.916
  123   1HE2  GLN  20          HE22      GLN  20  10.577   1.706   1.706
  124   2HE2  GLN  20          HE21      GLN  20  11.062   3.153   3.153
  125    HA   PRO  21           HA       PRO  21   9.027   6.186   6.186
  126   1HB   PRO  21           HB2      PRO  21   9.077   3.700   3.700
  127   2HB   PRO  21           HB1      PRO  21  10.052   5.080   5.080
  128   1HG   PRO  21           HG2      PRO  21  10.899   2.676   2.676
  129   2HG   PRO  21           HG1      PRO  21  11.832   3.650   3.650
  130   1HD   PRO  21           HD2      PRO  21  12.059   3.845   3.845
  131   2HD   PRO  21           HD1      PRO  21  12.541   5.118   5.118
  132    H    SER  22           HN       SER  22   6.944   5.896   5.896
  133    HA   SER  22           HA       SER  22   6.595   3.620   3.620
  134   1HB   SER  22           HB2      SER  22   6.005   6.296   6.296
  135   2HB   SER  22           HB1      SER  22   4.452   5.572   5.572
  136    HG   SER  22           HG       SER  22   5.588   5.628   5.628
  137    H    LYS  23           HN       LYS  23   5.763   1.864   1.864
  138    HA   LYS  23           HA       LYS  23   3.299   2.224   2.224
  139   1HB   LYS  23           HB2      LYS  23   5.488   0.499   0.499
  140   2HB   LYS  23           HB1      LYS  23   4.097   1.194   1.194
  141   1HG   LYS  23           HG2      LYS  23   5.050   3.422   3.422
  142   2HG   LYS  23           HG1      LYS  23   6.395   2.821   2.821
  143   1HD   LYS  23           HD2      LYS  23   5.783   2.200   2.200
  144   2HD   LYS  23           HD1      LYS  23   7.206   3.018   3.018
  145   1HE   LYS  23           HE2      LYS  23   6.437   0.112   0.112
  146   2HE   LYS  23           HE1      LYS  23   7.835   0.737   0.737
  147   1HZ   LYS  23           HZ3      LYS  23   8.330   1.859   1.859
  148   2HZ   LYS  23           HZ2      LYS  23   7.353   0.611   0.611
  149   3HZ   LYS  23           HZ1      LYS  23   8.759   0.240   0.240
  150    H    PHE  24           HN       PHE  24   1.917   0.575   0.575
  151    HA   PHE  24           HA       PHE  24   2.988  -2.008  -2.008
  152   1HB   PHE  24           HB2      PHE  24   0.662  -1.563  -1.563
  153   2HB   PHE  24           HB1      PHE  24   2.320  -1.709  -1.709
  154    HD1  PHE  24           HD1      PHE  24   3.800   0.427   0.427
  155    HD2  PHE  24           HD2      PHE  24  -0.482   0.417   0.417
  156    HE1  PHE  24           HE1      PHE  24   3.832   2.836   2.836
  157    HE2  PHE  24           HE2      PHE  24  -0.454   2.833   2.833
  158    HZ   PHE  24           HZ       PHE  24   1.710   4.029   4.029
  159    H    LYS  25           HN       LYS  25   1.347  -3.748  -3.748
  160    HA   LYS  25           HA       LYS  25  -0.739  -3.039  -3.039
  161   1HB   LYS  25           HB2      LYS  25   0.915  -5.538  -5.538
  162   2HB   LYS  25           HB1      LYS  25  -0.577  -5.554  -5.554
  163   1HG   LYS  25           HG2      LYS  25   0.443  -4.609  -4.609
  164   2HG   LYS  25           HG1      LYS  25   1.068  -3.299  -3.299
  165   1HD   LYS  25           HD2      LYS  25   3.037  -4.326  -4.326
  166   2HD   LYS  25           HD1      LYS  25   2.779  -5.106  -5.106
  167   1HE   LYS  25           HE2      LYS  25   1.585  -6.311  -6.311
  168   2HE   LYS  25           HE1      LYS  25   3.285  -6.591  -6.591
  169   1HZ   LYS  25           HZ1      LYS  25   1.943  -6.977  -6.977
  170   2HZ   LYS  25           HZ3      LYS  25   0.960  -7.718  -7.718
  171   3HZ   LYS  25           HZ2      LYS  25   2.586  -8.184  -8.184
  172    H    ILE  26           HN       ILE  26  -2.841  -3.716  -3.716
  173    HA   ILE  26           HA       ILE  26  -3.235  -4.846  -4.846
  174    HB   ILE  26           HB       ILE  26  -5.188  -3.360  -3.360
  175   1HG1  ILE  26          HG12      ILE  26  -4.418  -2.115  -2.115
  176   2HG1  ILE  26          HG11      ILE  26  -3.018  -2.377  -2.377
  177   1HG2  ILE  26          HG21      ILE  26  -6.072  -5.055  -5.055
  178   2HG2  ILE  26          HG23      ILE  26  -5.419  -3.981  -3.981
  179   3HG2  ILE  26          HG22      ILE  26  -6.675  -3.405  -3.405
  180   1HD1  ILE  26          HD12      ILE  26  -5.494  -1.244  -1.244
  181   2HD1  ILE  26          HD11      ILE  26  -4.501  -0.189  -0.189
  182   3HD1  ILE  26          HD13      ILE  26  -3.804  -0.963  -0.963
  183    H    HIS  27           HN       HIS  27  -4.273  -6.784  -6.784
  184    HA   HIS  27           HA       HIS  27  -5.267  -8.073  -8.073
  185   1HB   HIS  27           HB2      HIS  27  -4.357  -9.902  -9.902
  186   2HB   HIS  27           HB1      HIS  27  -4.004  -9.925  -9.925
  187    HD1  HIS  27           HD1      HIS  27  -2.550  -7.305  -7.305
  188    HD2  HIS  27           HD2      HIS  27  -1.853  -9.766  -9.766
  189    HE1  HIS  27           HE1      HIS  27  -0.278  -6.666  -6.666
  190    H    ALA  28           HN       ALA  28  -7.404  -8.401  -8.401
  191    HA   ALA  28           HA       ALA  28  -8.641  -8.744  -8.744
  192   1HB   ALA  28           HB1      ALA  28  -9.553  -7.694  -7.694
  193   2HB   ALA  28           HB3      ALA  28 -10.748  -8.612  -8.612
  194   3HB   ALA  28           HB2      ALA  28  -9.995  -7.186  -7.186
  195    H    VAL  29           HN       VAL  29  -9.935 -10.594 -10.594
  196    HA   VAL  29           HA       VAL  29 -10.055 -12.695 -12.695
  197    HB   VAL  29           HB       VAL  29  -8.855 -12.943 -12.943
  198   1HG1  VAL  29          HG13      VAL  29 -10.816 -14.490 -14.490
  199   2HG1  VAL  29          HG12      VAL  29 -10.219 -15.218 -15.218
  200   3HG1  VAL  29          HG11      VAL  29  -9.287 -15.369 -15.369
  201   1HG2  VAL  29          HG22      VAL  29  -8.238 -13.622 -13.622
  202   2HG2  VAL  29          HG21      VAL  29  -7.159 -13.092 -13.092
  203   3HG2  VAL  29          HG23      VAL  29  -7.678 -14.775 -14.775
  204    H    ASP  30           HN       ASP  30 -12.077 -13.396 -13.396
  205    HA   ASP  30           HA       ASP  30 -14.012 -12.778 -12.778
  206   1HB   ASP  30           HB2      ASP  30 -15.562 -12.303 -12.303
  207   2HB   ASP  30           HB1      ASP  30 -14.111 -11.970 -11.970
  208    HA   PRO  31           HA       PRO  31 -15.002 -17.016 -17.016
  209   1HB   PRO  31           HB2      PRO  31 -17.724 -17.196 -17.196
  210   2HB   PRO  31           HB1      PRO  31 -16.948 -16.469 -16.469
  211   1HG   PRO  31           HG2      PRO  31 -18.338 -15.134 -15.134
  212   2HG   PRO  31           HG1      PRO  31 -18.089 -14.558 -14.558
  213   1HD   PRO  31           HD2      PRO  31 -16.628 -13.760 -13.760
  214   2HD   PRO  31           HD1      PRO  31 -16.204 -13.405 -13.405
  215    H    ASP  32           HN       ASP  32 -14.657 -16.081 -16.081
  216    HA   ASP  32           HA       ASP  32 -15.835 -18.643 -18.643
  217   1HB   ASP  32           HB2      ASP  32 -16.803 -17.652 -17.652
  218   2HB   ASP  32           HB1      ASP  32 -16.813 -16.245 -16.245
  219    H    GLY  33           HN       GLY  33 -13.023 -17.426 -17.426
  220   1HA   GLY  33           HA2      GLY  33 -10.851 -18.211 -18.211
  221   2HA   GLY  33           HA1      GLY  33 -11.537 -19.060 -19.060
  222    H    VAL  34           HN       VAL  34 -12.150 -15.706 -15.706
  223    HA   VAL  34           HA       VAL  34 -10.258 -14.800 -14.800
  224    HB   VAL  34           HB       VAL  34 -13.165 -14.052 -14.052
  225   1HG1  VAL  34          HG11      VAL  34 -10.728 -14.140 -14.140
  226   2HG1  VAL  34          HG13      VAL  34 -12.356 -13.932 -13.932
  227   3HG1  VAL  34          HG12      VAL  34 -11.689 -12.736 -12.736
  228   1HG2  VAL  34          HG22      VAL  34 -13.035 -16.539 -16.539
  229   2HG2  VAL  34          HG21      VAL  34 -13.468 -15.919 -15.919
  230   3HG2  VAL  34          HG23      VAL  34 -11.824 -16.473 -16.473
  231    H    HIS  35           HN       HIS  35 -10.514 -12.303 -12.303
  232    HA   HIS  35           HA       HIS  35 -10.657 -11.264 -11.264
  233   1HB   HIS  35           HB2      HIS  35 -10.147  -9.614  -9.614
  234   2HB   HIS  35           HB1      HIS  35  -9.571  -9.330  -9.330
  235    HD1  HIS  35           HD1      HIS  35  -7.244 -10.126 -10.126
  236    HD2  HIS  35           HD2      HIS  35  -8.916 -12.112 -12.112
  237    HE1  HIS  35           HE1      HIS  35  -5.432 -11.633 -11.633
  238    H    ARG  36           HN       ARG  36 -13.073 -12.125 -12.125
  239    HA   ARG  36           HA       ARG  36 -15.304 -11.482 -11.482
  240   1HB   ARG  36           HB2      ARG  36 -14.012  -9.360  -9.360
  241   2HB   ARG  36           HB1      ARG  36 -14.764  -8.592  -8.592
  242   1HG   ARG  36           HG2      ARG  36 -16.842 -10.067 -10.067
  243   2HG   ARG  36           HG1      ARG  36 -16.037  -9.907  -9.907
  244   1HD   ARG  36           HD2      ARG  36 -17.086  -7.901  -7.901
  245   2HD   ARG  36           HD1      ARG  36 -15.899  -7.339  -7.339
  246    HE   ARG  36           HE       ARG  36 -17.776  -8.327  -8.327
  247   1HH1  ARG  36          HH21      ARG  36 -19.594  -8.147  -8.147
  248   2HH1  ARG  36          HH22      ARG  36 -20.381  -6.632  -6.632
  249   1HH2  ARG  36          HH11      ARG  36 -18.120  -5.637  -5.637
  250   2HH2  ARG  36          HH12      ARG  36 -19.547  -5.210  -5.210
  251    H    THR  37           HN       THR  37 -15.001 -12.430 -12.430
  252    HA   THR  37           HA       THR  37 -15.256 -12.254 -12.254
  253    HB   THR  37           HB       THR  37 -17.079 -10.052 -10.052
  254    HG1  THR  37           HG1      THR  37 -17.463 -10.105 -10.105
  255   1HG2  THR  37          HG23      THR  37 -16.921 -12.810 -12.810
  256   2HG2  THR  37          HG22      THR  37 -18.417 -12.570 -12.570
  257   3HG2  THR  37          HG21      THR  37 -18.096 -11.611 -11.611
  258    H    ASP  38           HN       ASP  38 -13.140 -11.378 -11.378
  259    HA   ASP  38           HA       ASP  38 -12.118  -8.854  -8.854
  260   1HB   ASP  38           HB2      ASP  38 -11.521 -11.030 -11.030
  261   2HB   ASP  38           HB1      ASP  38 -11.885  -9.777  -9.777
  262    H    GLY  39           HN       GLY  39 -12.333  -6.839  -6.839
  263   1HA   GLY  39           HA2      GLY  39 -13.302  -5.282  -5.282
  264   2HA   GLY  39           HA1      GLY  39 -14.414  -6.541  -6.541
  265    H    GLY  40           HN       GLY  40 -15.391  -7.314  -7.314
  266   1HA   GLY  40           HA2      GLY  40 -16.982  -4.864  -4.864
  267   2HA   GLY  40           HA1      GLY  40 -17.563  -6.515  -6.515
  268    H    ASP  41           HN       ASP  41 -14.343  -5.398  -5.398
  269    HA   ASP  41           HA       ASP  41 -14.904  -6.260  -6.260
  270   1HB   ASP  41           HB2      ASP  41 -12.308  -5.141  -5.141
  271   2HB   ASP  41           HB1      ASP  41 -12.525  -6.142  -6.142
  272    H    GLY  42           HN       GLY  42 -15.836  -4.729  -4.729
  273   1HA   GLY  42           HA2      GLY  42 -15.679  -1.893  -1.893
  274   2HA   GLY  42           HA1      GLY  42 -16.276  -2.623  -2.623
  275    H    PHE  43           HN       PHE  43 -13.177  -2.300  -2.300
  276    HA   PHE  43           HA       PHE  43 -11.781  -2.138  -2.138
  277   1HB   PHE  43           HB2      PHE  43 -11.178  -3.281  -3.281
  278   2HB   PHE  43           HB1      PHE  43 -10.048  -1.946  -1.946
  279    HD1  PHE  43           HD1      PHE  43 -10.072  -2.069  -2.069
  280    HD2  PHE  43           HD2      PHE  43  -9.581  -5.048  -5.048
  281    HE1  PHE  43           HE1      PHE  43  -8.738  -3.461  -3.461
  282    HE2  PHE  43           HE2      PHE  43  -8.243  -6.434  -6.434
  283    HZ   PHE  43           HZ       PHE  43  -7.828  -5.643  -5.643
  284    H    VAL  44           HN       VAL  44 -11.544  -0.134  -0.134
  285    HA   VAL  44           HA       VAL  44 -10.810   2.044   2.044
  286    HB   VAL  44           HB       VAL  44 -12.763   3.039   3.039
  287   1HG1  VAL  44          HG13      VAL  44 -12.771   0.898   0.898
  288   2HG1  VAL  44          HG12      VAL  44 -13.677   2.347   2.347
  289   3HG1  VAL  44          HG11      VAL  44 -14.063   1.459   1.459
  290   1HG2  VAL  44          HG23      VAL  44 -10.930   4.253   4.253
  291   2HG2  VAL  44          HG22      VAL  44 -12.584   4.500   4.500
  292   3HG2  VAL  44          HG21      VAL  44 -11.521   3.387   3.387
  293    H    VAL  45           HN       VAL  45  -8.707   2.472   2.472
  294    HA   VAL  45           HA       VAL  45  -7.722   2.445   2.445
  295    HB   VAL  45           HB       VAL  45  -5.947   1.963   1.963
  296   1HG1  VAL  45          HG13      VAL  45  -5.469   2.325   2.325
  297   2HG1  VAL  45          HG12      VAL  45  -5.496   0.569   0.569
  298   3HG1  VAL  45          HG11      VAL  45  -4.373   1.516   1.516
  299   1HG2  VAL  45          HG22      VAL  45  -8.070   0.244   0.244
  300   2HG2  VAL  45          HG21      VAL  45  -6.940  -0.007  -0.007
  301   3HG2  VAL  45          HG23      VAL  45  -6.507  -0.516  -0.516
  302    H    THR  46           HN       THR  46  -6.275   4.132   4.132
  303    HA   THR  46           HA       THR  46  -5.495   6.082   6.082
  304    HB   THR  46           HB       THR  46  -6.886   7.677   7.677
  305    HG1  THR  46           HG1      THR  46  -9.022   6.689   6.689
  306   1HG2  THR  46          HG21      THR  46  -7.262   6.995   6.995
  307   2HG2  THR  46          HG23      THR  46  -8.254   8.200   8.200
  308   3HG2  THR  46          HG22      THR  46  -6.510   8.433   8.433
  309    H    ILE  47           HN       ILE  47  -3.715   7.157   7.157
  310    HA   ILE  47           HA       ILE  47  -3.012   7.075   7.075
  311    HB   ILE  47           HB       ILE  47  -1.306   6.599   6.599
  312   1HG1  ILE  47          HG12      ILE  47  -2.024   5.191   5.191
  313   2HG1  ILE  47          HG11      ILE  47  -1.585   4.527   4.527
  314   1HG2  ILE  47          HG22      ILE  47  -0.331   7.652   7.652
  315   2HG2  ILE  47          HG21      ILE  47   0.709   7.050   7.050
  316   3HG2  ILE  47          HG23      ILE  47  -0.249   8.503   8.503
  317   1HD1  ILE  47          HD11      ILE  47   0.803   5.451   5.451
  318   2HD1  ILE  47          HD13      ILE  47   0.218   5.431   5.431
  319   3HD1  ILE  47          HD12      ILE  47   0.273   3.936   3.936
  320    H    GLU  48           HN       GLU  48  -1.779   8.916   8.916
  321    HA   GLU  48           HA       GLU  48  -1.173  11.083  11.083
  322   1HB   GLU  48           HB2      GLU  48  -2.938  12.628  12.628
  323   2HB   GLU  48           HB1      GLU  48  -3.355  11.807  11.807
  324   1HG   GLU  48           HG2      GLU  48  -4.725  10.298  10.298
  325   2HG   GLU  48           HG1      GLU  48  -3.716  10.227  10.227
  326    H    GLY  49           HN       GLY  49  -0.174  12.840  12.840
  327   1HA   GLY  49           HA2      GLY  49   0.116  12.767  12.767
  328   2HA   GLY  49           HA1      GLY  49   1.582  12.382  12.382
  329    HA   PRO  50           HA       PRO  50   1.270  16.990  16.990
  330   1HB   PRO  50           HB2      PRO  50   3.731  17.312  17.312
  331   2HB   PRO  50           HB1      PRO  50   2.226  17.071  17.071
  332   1HG   PRO  50           HG2      PRO  50   4.445  15.140  15.140
  333   2HG   PRO  50           HG1      PRO  50   3.300  15.204  15.204
  334   1HD   PRO  50           HD2      PRO  50   3.153  13.439  13.439
  335   2HD   PRO  50           HD1      PRO  50   1.846  13.767  13.767
  336    H    ALA  51           HN       ALA  51   1.579  16.291  16.291
  337    HA   ALA  51           HA       ALA  51   4.053  17.554  17.554
  338   1HB   ALA  51           HB1      ALA  51   4.131  14.812  14.812
  339   2HB   ALA  51           HB3      ALA  51   3.732  14.957  14.957
  340   3HB   ALA  51           HB2      ALA  51   5.190  15.720  15.720
  341    HA   PRO  52           HA       PRO  52   1.596  18.400  18.400
  342   1HB   PRO  52           HB2      PRO  52   3.251  17.874  17.874
  343   2HB   PRO  52           HB1      PRO  52   3.428  19.283  19.283
  344   1HG   PRO  52           HG2      PRO  52   5.069  16.794  16.794
  345   2HG   PRO  52           HG1      PRO  52   5.529  18.421  18.421
  346   1HD   PRO  52           HD2      PRO  52   4.910  16.250  16.250
  347   2HD   PRO  52           HD1      PRO  52   5.020  17.952  17.952
  348    H    VAL  53           HN       VAL  53   3.389  15.379  15.379
  349    HA   VAL  53           HA       VAL  53   1.037  14.336  14.336
  350    HB   VAL  53           HB       VAL  53   3.612  12.866  12.866
  351   1HG1  VAL  53          HG12      VAL  53   1.710  11.584  11.584
  352   2HG1  VAL  53          HG11      VAL  53   1.622  12.723  12.723
  353   3HG1  VAL  53          HG13      VAL  53   3.045  11.700  11.700
  354   1HG2  VAL  53          HG21      VAL  53   3.039  15.081  15.081
  355   2HG2  VAL  53          HG23      VAL  53   4.510  14.751  14.751
  356   3HG2  VAL  53          HG22      VAL  53   4.112  13.773  13.773
  357    H    ASP  54           HN       ASP  54  -0.421  14.139  14.139
  358    HA   ASP  54           HA       ASP  54   0.520  12.179  12.179
  359   1HB   ASP  54           HB2      ASP  54  -1.683  14.235  14.235
  360   2HB   ASP  54           HB1      ASP  54  -1.518  13.006  13.006
  361    HA   PRO  55           HA       PRO  55  -3.604  10.127  10.127
  362   1HB   PRO  55           HB2      PRO  55  -5.208  11.284  11.284
  363   2HB   PRO  55           HB1      PRO  55  -5.322  11.651  11.651
  364   1HG   PRO  55           HG2      PRO  55  -4.151  13.298  13.298
  365   2HG   PRO  55           HG1      PRO  55  -4.881  13.820  13.820
  366   1HD   PRO  55           HD2      PRO  55  -2.116  13.686  13.686
  367   2HD   PRO  55           HD1      PRO  55  -2.872  13.832  13.832
  368    H    VAL  56           HN       VAL  56  -2.576   8.428   8.428
  369    HA   VAL  56           HA       VAL  56  -2.546   8.692   8.692
  370    HB   VAL  56           HB       VAL  56  -0.320   7.430   7.430
  371   1HG1  VAL  56          HG11      VAL  56  -0.861   8.185   8.185
  372   2HG1  VAL  56          HG13      VAL  56   0.806   8.121   8.121
  373   3HG1  VAL  56          HG12      VAL  56  -0.209   6.681   6.681
  374   1HG2  VAL  56          HG23      VAL  56  -0.589  10.289  10.289
  375   2HG2  VAL  56          HG22      VAL  56  -0.314   9.759   9.759
  376   3HG2  VAL  56          HG21      VAL  56   0.954   9.562   9.562
  377    H    MET  57           HN       MET  57  -4.282   7.144   7.144
  378    HA   MET  57           HA       MET  57  -3.391   4.400   4.400
  379   1HB   MET  57           HB2      MET  57  -5.419   3.786   3.786
  380   2HB   MET  57           HB1      MET  57  -4.881   5.284   5.284
  381   1HG   MET  57           HG2      MET  57  -6.897   6.162   6.162
  382   2HG   MET  57           HG1      MET  57  -6.443   6.081   6.081
  383   1HE   MET  57           HE3      MET  57  -8.949   6.349   6.349
  384   2HE   MET  57           HE2      MET  57  -9.212   5.324   5.324
  385   3HE   MET  57           HE1      MET  57 -10.102   5.010   5.010
  386    H    VAL  58           HN       VAL  58  -3.928   2.890   2.890
  387    HA   VAL  58           HA       VAL  58  -5.853   3.702   3.702
  388    HB   VAL  58           HB       VAL  58  -3.654   2.027   2.027
  389   1HG1  VAL  58          HG13      VAL  58  -5.511   3.397   3.397
  390   2HG1  VAL  58          HG12      VAL  58  -4.420   4.764   4.764
  391   3HG1  VAL  58          HG11      VAL  58  -3.889   3.359   3.359
  392   1HG2  VAL  58          HG23      VAL  58  -3.082   4.760   4.760
  393   2HG2  VAL  58          HG22      VAL  58  -2.204   3.254   3.254
  394   3HG2  VAL  58          HG21      VAL  58  -2.092   4.071   4.071
  395    H    ASP  59           HN       ASP  59  -6.807   1.867   1.867
  396    HA   ASP  59           HA       ASP  59  -6.717  -0.660  -0.660
  397   1HB   ASP  59           HB2      ASP  59  -8.910   0.169   0.169
  398   2HB   ASP  59           HB1      ASP  59  -8.957   0.772   0.772
  399    H    ASN  60           HN       ASN  60  -6.019  -2.445  -2.445
  400    HA   ASN  60           HA       ASN  60  -5.439  -2.203  -2.203
  401   1HB   ASN  60           HB2      ASN  60  -3.976  -3.304  -3.304
  402   2HB   ASN  60           HB1      ASN  60  -4.938  -4.725  -4.725
  403   1HD2  ASN  60          HD22      ASN  60  -1.934  -3.639  -3.639
  404   2HD2  ASN  60          HD21      ASN  60  -2.172  -2.947  -2.947
  405    H    GLY  61           HN       GLY  61  -7.851  -3.705  -3.705
  406   1HA   GLY  61           HA2      GLY  61  -9.865  -4.669  -4.669
  407   2HA   GLY  61           HA1      GLY  61  -9.246  -4.575  -4.575
  408    H    ASP  62           HN       ASP  62  -7.053  -6.024  -6.024
  409    HA   ASP  62           HA       ASP  62  -7.856  -8.712  -8.712
  410   1HB   ASP  62           HB2      ASP  62  -5.524  -9.348  -9.348
  411   2HB   ASP  62           HB1      ASP  62  -5.636  -7.812  -7.812
  412    H    GLY  63           HN       GLY  63  -8.868  -7.442  -7.442
  413   1HA   GLY  63           HA2      GLY  63  -9.429  -8.284  -8.284
  414   2HA   GLY  63           HA1      GLY  63  -8.361  -9.654  -9.654
  415    H    THR  64           HN       THR  64  -6.513  -7.085  -7.085
  416    HA   THR  64           HA       THR  64  -5.618  -6.621  -6.621
  417    HB   THR  64           HB       THR  64  -3.261  -6.567  -6.567
  418    HG1  THR  64           HG1      THR  64  -3.412  -6.898  -6.898
  419   1HG2  THR  64          HG22      THR  64  -4.494  -8.409  -8.409
  420   2HG2  THR  64          HG21      THR  64  -4.358  -9.344  -9.344
  421   3HG2  THR  64          HG23      THR  64  -2.908  -8.714  -8.714
  422    H    TYR  65           HN       TYR  65  -4.767  -4.505  -4.505
  423    HA   TYR  65           HA       TYR  65  -5.057  -2.664  -2.664
  424   1HB   TYR  65           HB2      TYR  65  -5.880  -2.173  -2.173
  425   2HB   TYR  65           HB1      TYR  65  -5.920  -0.960  -0.960
  426    HD1  TYR  65           HD1      TYR  65  -6.984  -4.541  -4.541
  427    HD2  TYR  65           HD2      TYR  65  -7.964  -0.644  -0.644
  428    HE1  TYR  65           HE1      TYR  65  -9.137  -5.402  -5.402
  429    HE2  TYR  65           HE2      TYR  65 -10.129  -1.503  -1.503
  430    HH   TYR  65           HH       TYR  65 -11.582  -3.244  -3.244
  431    H    ASP  66           HN       ASP  66  -3.669  -0.749  -0.749
  432    HA   ASP  66           HA       ASP  66  -1.298  -1.178  -1.178
  433   1HB   ASP  66           HB2      ASP  66   0.148  -0.517  -0.517
  434   2HB   ASP  66           HB1      ASP  66  -0.990  -1.656  -1.656
  435    H    VAL  67           HN       VAL  67  -0.492   0.612   0.612
  436    HA   VAL  67           HA       VAL  67  -1.674   3.247   3.247
  437    HB   VAL  67           HB       VAL  67  -2.304   3.684   3.684
  438   1HG1  VAL  67          HG11      VAL  67  -3.638   1.853   1.853
  439   2HG1  VAL  67          HG13      VAL  67  -2.819   0.715   0.715
  440   3HG1  VAL  67          HG12      VAL  67  -3.868   1.960   1.960
  441   1HG2  VAL  67          HG21      VAL  67  -0.424   1.466   1.466
  442   2HG2  VAL  67          HG23      VAL  67  -0.536   3.076   3.076
  443   3HG2  VAL  67          HG22      VAL  67  -1.725   1.843   1.843
  444    H    GLU  68           HN       GLU  68  -0.164   5.046   5.046
  445    HA   GLU  68           HA       GLU  68   2.401   4.336   4.336
  446   1HB   GLU  68           HB2      GLU  68   2.430   5.300   5.300
  447   2HB   GLU  68           HB1      GLU  68   3.793   4.720   4.720
  448   1HG   GLU  68           HG2      GLU  68   2.743   2.465   2.465
  449   2HG   GLU  68           HG1      GLU  68   1.413   3.061   3.061
  450    H    PHE  69           HN       PHE  69   3.205   6.062   6.062
  451    HA   PHE  69           HA       PHE  69   2.686   8.760   8.760
  452   1HB   PHE  69           HB2      PHE  69   2.245   9.750   9.750
  453   2HB   PHE  69           HB1      PHE  69   1.116   8.418   8.418
  454    HD1  PHE  69           HD2      PHE  69   2.186   6.040   6.040
  455    HD2  PHE  69           HD1      PHE  69   3.285   9.927   9.927
  456    HE1  PHE  69           HE2      PHE  69   3.050   5.030   5.030
  457    HE2  PHE  69           HE1      PHE  69   4.141   8.902   8.902
  458    HZ   PHE  69           HZ       PHE  69   4.001   6.441   6.441
  459    H    GLU  70           HN       GLU  70   4.423  10.318  10.318
  460    HA   GLU  70           HA       GLU  70   6.823   9.111   9.111
  461   1HB   GLU  70           HB2      GLU  70   7.155   8.489   8.489
  462   2HB   GLU  70           HB1      GLU  70   6.698  10.097  10.097
  463   1HG   GLU  70           HG2      GLU  70   8.664  11.033  11.033
  464   2HG   GLU  70           HG1      GLU  70   9.152   9.381   9.381
  465    HA   PRO  71           HA       PRO  71   6.493  13.484  13.484
  466   1HB   PRO  71           HB2      PRO  71   7.694  13.090  13.090
  467   2HB   PRO  71           HB1      PRO  71   5.968  12.822  12.822
  468   1HG   PRO  71           HG2      PRO  71   8.148  10.814  10.814
  469   2HG   PRO  71           HG1      PRO  71   6.419  10.655  10.655
  470   1HD   PRO  71           HD2      PRO  71   7.759   9.637   9.637
  471   2HD   PRO  71           HD1      PRO  71   6.000   9.799   9.799
  472    H    LYS  72           HN       LYS  72   8.518  14.630  14.630
  473    HA   LYS  72           HA       LYS  72  11.066  14.022  14.022
  474   1HB   LYS  72           HB2      LYS  72  11.223  16.712  16.712
  475   2HB   LYS  72           HB1      LYS  72  10.591  15.852  15.852
  476   1HG   LYS  72           HG2      LYS  72   8.302  16.104  16.104
  477   2HG   LYS  72           HG1      LYS  72   8.892  16.883  16.883
  478   1HD   LYS  72           HD2      LYS  72  10.064  18.299  18.299
  479   2HD   LYS  72           HD1      LYS  72   8.377  18.055  18.055
  480   1HE   LYS  72           HE2      LYS  72   8.431  20.087  20.087
  481   2HE   LYS  72           HE1      LYS  72   7.767  18.860  18.860
  482   1HZ   LYS  72           HZ2      LYS  72  10.089  18.531  18.531
  483   2HZ   LYS  72           HZ1      LYS  72  10.534  19.920  19.920
  484   3HZ   LYS  72           HZ3      LYS  72   9.403  20.035  20.035
  485    H    GLU  73           HN       GLU  73   9.881  16.368  16.368
  486    HA   GLU  73           HA       GLU  73  12.424  16.003  16.003
  487   1HB   GLU  73           HB2      GLU  73  11.576  17.813  17.813
  488   2HB   GLU  73           HB1      GLU  73  11.383  18.245  18.245
  489   1HG   GLU  73           HG2      GLU  73   9.103  18.153  18.153
  490   2HG   GLU  73           HG1      GLU  73   9.105  16.770  16.770
  491    H    ALA  74           HN       ALA  74  10.829  16.534  16.534
  492    HA   ALA  74           HA       ALA  74  10.470  13.679  13.679
  493   1HB   ALA  74           HB2      ALA  74  10.376  16.151  16.151
  494   2HB   ALA  74           HB1      ALA  74  10.274  14.490  14.490
  495   3HB   ALA  74           HB3      ALA  74  11.751  15.065  15.065
  496    H    GLY  75           HN       GLY  75   8.477  12.749  12.749
  497   1HA   GLY  75           HA2      GLY  75   6.106  14.394  14.394
  498   2HA   GLY  75           HA1      GLY  75   6.172  13.703  13.703
  499    H    ASP  76           HN       ASP  76   4.171  13.060  13.060
  500    HA   ASP  76           HA       ASP  76   4.837  10.219  10.219
  501   1HB   ASP  76           HB2      ASP  76   3.165  10.336  10.336
  502   2HB   ASP  76           HB1      ASP  76   4.172  11.773  11.773
  503    H    TYR  77           HN       TYR  77   3.147   8.679   8.679
  504    HA   TYR  77           HA       TYR  77   1.450   9.598   9.598
  505   1HB   TYR  77           HB2      TYR  77   2.220   6.740   6.740
  506   2HB   TYR  77           HB1      TYR  77   1.682   7.488   7.488
  507    HD1  TYR  77           HD1      TYR  77   3.434  10.023  10.023
  508    HD2  TYR  77           HD2      TYR  77   4.208   5.810   5.810
  509    HE1  TYR  77           HE1      TYR  77   5.767  10.435  10.435
  510    HE2  TYR  77           HE2      TYR  77   6.537   6.205   6.205
  511    HH   TYR  77           HH       TYR  77   7.595   9.020   9.020
  512    H    VAL  78           HN       VAL  78  -0.625   9.017   9.017
  513    HA   VAL  78           HA       VAL  78  -1.740   7.445   7.445
  514    HB   VAL  78           HB       VAL  78  -2.575   9.594   9.594
  515   1HG1  VAL  78          HG11      VAL  78  -2.642   9.848   9.848
  516   2HG1  VAL  78          HG13      VAL  78  -3.611  10.926  10.926
  517   3HG1  VAL  78          HG12      VAL  78  -1.856  10.898  10.898
  518   1HG2  VAL  78          HG21      VAL  78  -4.295   7.624   7.624
  519   2HG2  VAL  78          HG23      VAL  78  -4.801   9.146   9.146
  520   3HG2  VAL  78          HG22      VAL  78  -4.811   8.966   8.966
  521    H    ILE  79           HN       ILE  79  -2.753   5.686   5.686
  522    HA   ILE  79           HA       ILE  79  -3.173   5.496   5.496
  523    HB   ILE  79           HB       ILE  79  -3.439   2.975   2.975
  524   1HG1  ILE  79          HG12      ILE  79  -0.947   4.623   4.623
  525   2HG1  ILE  79          HG11      ILE  79  -1.985   3.848   3.848
  526   1HG2  ILE  79          HG22      ILE  79  -2.910   3.402   3.402
  527   2HG2  ILE  79          HG21      ILE  79  -1.314   3.960   3.960
  528   3HG2  ILE  79          HG23      ILE  79  -1.797   2.287   2.287
  529   1HD1  ILE  79          HD11      ILE  79  -1.300   1.726   1.726
  530   2HD1  ILE  79          HD13      ILE  79   0.172   2.697   2.697
  531   3HD1  ILE  79          HD12      ILE  79  -0.488   2.145   2.145
  532    H    ASN  80           HN       ASN  80  -4.875   4.313   4.313
  533    HA   ASN  80           HA       ASN  80  -7.270   3.918   3.918
  534   1HB   ASN  80           HB2      ASN  80  -7.519   5.507   5.507
  535   2HB   ASN  80           HB1      ASN  80  -8.643   5.386   5.386
  536   1HD2  ASN  80          HD22      ASN  80  -7.239   8.079   8.079
  537   2HD2  ASN  80          HD21      ASN  80  -8.480   6.926   6.926
  538    H    LEU  81           HN       LEU  81  -7.751   1.874   1.874
  539    HA   LEU  81           HA       LEU  81  -7.734   1.073   1.073
  540   1HB   LEU  81           HB2      LEU  81  -5.656   0.209   0.209
  541   2HB   LEU  81           HB1      LEU  81  -6.550  -0.460  -0.460
  542    HG   LEU  81           HG       LEU  81  -5.810  -1.922  -1.922
  543   1HD1  LEU  81          HD11      LEU  81  -7.913  -2.080  -2.080
  544   2HD1  LEU  81          HD13      LEU  81  -8.158  -3.153  -3.153
  545   3HD1  LEU  81          HD12      LEU  81  -6.667  -3.245  -3.245
  546   1HD2  LEU  81          HD21      LEU  81  -7.598  -0.330  -0.330
  547   2HD2  LEU  81          HD23      LEU  81  -7.311  -1.997  -1.997
  548   3HD2  LEU  81          HD22      LEU  81  -8.679  -1.598  -1.598
  549    H    THR  82           HN       THR  82  -9.742   0.249   0.249
  550    HA   THR  82           HA       THR  82 -11.252  -1.034  -1.034
  551    HB   THR  82           HB       THR  82 -13.267   0.295   0.295
  552    HG1  THR  82           HG1      THR  82 -11.364   1.108   1.108
  553   1HG2  THR  82          HG23      THR  82 -11.159   1.008   1.008
  554   2HG2  THR  82          HG22      THR  82 -11.992   2.420   2.420
  555   3HG2  THR  82          HG21      THR  82 -12.909   1.155   1.155
  556    H    LEU  83           HN       LEU  83 -12.460  -2.774  -2.774
  557    HA   LEU  83           HA       LEU  83 -13.141  -3.169  -3.169
  558   1HB   LEU  83           HB2      LEU  83 -10.988  -4.412  -4.412
  559   2HB   LEU  83           HB1      LEU  83 -11.951  -5.419  -5.419
  560    HG   LEU  83           HG       LEU  83 -11.551  -6.273  -6.273
  561   1HD1  LEU  83          HD13      LEU  83 -13.276  -7.077  -7.077
  562   2HD1  LEU  83          HD12      LEU  83 -14.446  -6.085  -6.085
  563   3HD1  LEU  83          HD11      LEU  83 -13.636  -7.416  -7.416
  564   1HD2  LEU  83          HD22      LEU  83 -12.382  -3.867  -3.867
  565   2HD2  LEU  83          HD21      LEU  83 -12.746  -5.308  -5.308
  566   3HD2  LEU  83          HD23      LEU  83 -13.968  -4.627  -4.627
  567    H    ASP  84           HN       ASP  84 -15.242  -2.534  -2.534
  568    HA   ASP  84           HA       ASP  84 -17.283  -4.155  -4.155
  569   1HB   ASP  84           HB2      ASP  84 -15.709  -4.887  -4.887
  570   2HB   ASP  84           HB1      ASP  84 -17.471  -4.988  -4.988
  571    H    GLY  85           HN       GLY  85 -15.601  -1.732  -1.732
  572   1HA   GLY  85           HA2      GLY  85 -17.025   0.385   0.385
  573   2HA   GLY  85           HA1      GLY  85 -18.171  -0.646  -0.646
  574    H    ASP  86           HN       ASP  86 -15.067  -1.736  -1.736
  575    HA   ASP  86           HA       ASP  86 -14.870   0.049   0.049
  576   1HB   ASP  86           HB2      ASP  86 -15.748  -2.435  -2.435
  577   2HB   ASP  86           HB1      ASP  86 -14.039  -2.837  -2.837
  578    H    ASN  87           HN       ASN  87 -12.488  -0.306  -0.306
  579    HA   ASN  87           HA       ASN  87 -10.692  -0.342  -0.342
  580   1HB   ASN  87           HB2      ASN  87 -10.020   0.904   0.904
  581   2HB   ASN  87           HB1      ASN  87  -9.296   1.233   1.233
  582   1HD2  ASN  87          HD22      ASN  87 -12.768   3.101   3.101
  583   2HD2  ASN  87          HD21      ASN  87 -12.125   1.871   1.871
  584    H    VAL  88           HN       VAL  88  -8.623  -1.415  -1.415
  585    HA   VAL  88           HA       VAL  88  -8.776  -3.829  -3.829
  586    HB   VAL  88           HB       VAL  88  -6.706  -2.540  -2.540
  587   1HG1  VAL  88          HG12      VAL  88  -6.179  -4.770  -4.770
  588   2HG1  VAL  88          HG11      VAL  88  -5.205  -4.537  -4.537
  589   3HG1  VAL  88          HG13      VAL  88  -5.261  -3.281  -3.281
  590   1HG2  VAL  88          HG21      VAL  88  -8.000  -5.280  -5.280
  591   2HG2  VAL  88          HG23      VAL  88  -8.448  -3.979  -3.979
  592   3HG2  VAL  88          HG22      VAL  88  -6.874  -4.762  -4.762
  593    H    ASN  89           HN       ASN  89  -7.133  -4.429  -4.429
  594    HA   ASN  89           HA       ASN  89  -7.113  -2.294  -2.294
  595   1HB   ASN  89           HB2      ASN  89  -6.691  -5.190  -5.190
  596   2HB   ASN  89           HB1      ASN  89  -5.640  -4.344  -4.344
  597   1HD2  ASN  89          HD22      ASN  89  -9.622  -4.617  -4.617
  598   2HD2  ASN  89          HD21      ASN  89  -8.951  -5.276  -5.276
  599    H    GLY  90           HN       GLY  90  -5.292  -2.047  -2.047
  600   1HA   GLY  90           HA2      GLY  90  -2.887  -1.303  -1.303
  601   2HA   GLY  90           HA1      GLY  90  -2.658  -2.318  -2.318
  602    H    PHE  91           HN       PHE  91  -5.275  -0.160  -0.160
  603    HA   PHE  91           HA       PHE  91  -3.630   1.581   1.581
  604   1HB   PHE  91           HB2      PHE  91  -6.263   0.323   0.323
  605   2HB   PHE  91           HB1      PHE  91  -6.125   1.980   1.980
  606    HD1  PHE  91           HD2      PHE  91  -4.809  -1.440  -1.440
  607    HD2  PHE  91           HD1      PHE  91  -4.582   2.544   2.544
  608    HE1  PHE  91           HE2      PHE  91  -3.427  -2.241  -2.241
  609    HE2  PHE  91           HE1      PHE  91  -3.192   1.769   1.769
  610    HZ   PHE  91           HZ       PHE  91  -2.612  -0.645  -0.645
  611    HA   PRO  92           HA       PRO  92  -6.475   4.655   4.655
  612   1HB   PRO  92           HB2      PRO  92  -7.565   3.896   3.896
  613   2HB   PRO  92           HB1      PRO  92  -8.423   3.776   3.776
  614   1HG   PRO  92           HG2      PRO  92  -7.190   1.614   1.614
  615   2HG   PRO  92           HG1      PRO  92  -8.530   1.522   1.522
  616   1HD   PRO  92           HD2      PRO  92  -5.866   0.729   0.729
  617   2HD   PRO  92           HD1      PRO  92  -7.118   0.951   0.951
  618    H    LYS  93           HN       LYS  93  -3.875   2.993   2.993
  619    HA   LYS  93           HA       LYS  93  -3.159   4.372   4.372
  620   1HB   LYS  93           HB2      LYS  93  -2.677   1.932   1.932
  621   2HB   LYS  93           HB1      LYS  93  -1.676   2.269   2.269
  622   1HG   LYS  93           HG2      LYS  93  -0.177   3.654   3.654
  623   2HG   LYS  93           HG1      LYS  93  -1.195   3.397   3.397
  624   1HD   LYS  93           HD2      LYS  93   0.036   1.565   1.565
  625   2HD   LYS  93           HD1      LYS  93  -0.657   0.824   0.824
  626   1HE   LYS  93           HE2      LYS  93   1.223   1.176   1.176
  627   2HE   LYS  93           HE1      LYS  93   1.571   2.722   2.722
  628   1HZ   LYS  93           HZ3      LYS  93   2.244   1.441   1.441
  629   2HZ   LYS  93           HZ2      LYS  93   2.082   0.011   0.011
  630   3HZ   LYS  93           HZ1      LYS  93   3.238   1.174   1.174
  631    H    THR  94           HN       THR  94  -0.936   5.328   5.328
  632    HA   THR  94           HA       THR  94  -0.449   6.651   6.651
  633    HB   THR  94           HB       THR  94   0.028   7.827   7.827
  634    HG1  THR  94           HG1      THR  94  -2.232   7.370   7.370
  635   1HG2  THR  94          HG23      THR  94   1.139   8.540   8.540
  636   2HG2  THR  94          HG22      THR  94  -0.349   9.484   9.484
  637   3HG2  THR  94          HG21      THR  94   0.770   9.692   9.692
  638    H    VAL  95           HN       VAL  95   1.532   6.376   6.376
  639    HA   VAL  95           HA       VAL  95   3.563   5.212   5.212
  640    HB   VAL  95           HB       VAL  95   3.245   5.147   5.147
  641   1HG1  VAL  95          HG12      VAL  95   5.799   4.594   4.594
  642   2HG1  VAL  95          HG11      VAL  95   5.518   4.176   4.176
  643   3HG1  VAL  95          HG13      VAL  95   5.565   5.868   5.868
  644   1HG2  VAL  95          HG21      VAL  95   3.424   3.257   3.257
  645   2HG2  VAL  95          HG23      VAL  95   2.395   3.194   3.194
  646   3HG2  VAL  95          HG22      VAL  95   4.091   2.723   2.723
  647    H    THR  96           HN       THR  96   5.737   6.204   6.204
  648    HA   THR  96           HA       THR  96   5.553   9.082   9.082
  649    HB   THR  96           HB       THR  96   6.782   7.813   7.813
  650    HG1  THR  96           HG1      THR  96   5.271   9.399   9.399
  651   1HG2  THR  96          HG21      THR  96   7.187  10.481  10.481
  652   2HG2  THR  96          HG23      THR  96   7.052  10.422  10.422
  653   3HG2  THR  96          HG22      THR  96   8.315   9.503   9.503
  654    H    VAL  97           HN       VAL  97   7.253  10.115  10.115
  655    HA   VAL  97           HA       VAL  97   9.813   8.658   8.658
  656    HB   VAL  97           HB       VAL  97   8.048  10.056  10.056
  657   1HG1  VAL  97          HG12      VAL  97  11.064   9.881   9.881
  658   2HG1  VAL  97          HG11      VAL  97  10.073  10.173  10.173
  659   3HG1  VAL  97          HG13      VAL  97  10.079  11.342  11.342
  660   1HG2  VAL  97          HG23      VAL  97   9.648   7.533   7.533
  661   2HG2  VAL  97          HG22      VAL  97   7.985   7.744   7.744
  662   3HG2  VAL  97          HG21      VAL  97   9.322   8.200   8.200
  663    H    LYS  98           HN       LYS  98  11.572   9.950   9.950
  664    HA   LYS  98           HA       LYS  98  10.971  12.836  12.836
  665   1HB   LYS  98           HB2      LYS  98  11.782  10.824  10.824
  666   2HB   LYS  98           HB1      LYS  98  12.981  12.116  12.116
  667   1HG   LYS  98           HG2      LYS  98  11.222  13.796  13.796
  668   2HG   LYS  98           HG1      LYS  98  10.001  12.523  12.523
  669   1HD   LYS  98           HD2      LYS  98  10.669  11.756  11.756
  670   2HD   LYS  98           HD1      LYS  98  12.327  12.318  12.318
  671   1HE   LYS  98           HE2      LYS  98  11.427  14.686  14.686
  672   2HE   LYS  98           HE1      LYS  98   9.878  13.995  13.995
  673   1HZ   LYS  98           HZ1      LYS  98  12.170  13.008  13.008
  674   2HZ   LYS  98           HZ3      LYS  98  11.838  14.654  14.654
  675   3HZ   LYS  98           HZ2      LYS  98  10.643  13.492  13.492
  676    HA   PRO  99           HA       PRO  99  15.599  12.871  12.871
  677   1HB   PRO  99           HB2      PRO  99  16.977  10.503  10.503
  678   2HB   PRO  99           HB1      PRO  99  16.772  11.392  11.392
  679   1HG   PRO  99           HG2      PRO  99  15.407   8.902   8.902
  680   2HG   PRO  99           HG1      PRO  99  15.758   9.446   9.446
  681   1HD   PRO  99           HD2      PRO  99  13.259   9.609   9.609
  682   2HD   PRO  99           HD1      PRO  99  13.732  10.485  10.485
  683    H    ALA 100           HN       ALA 100  14.047  13.139  13.139
  684    HA   ALA 100           HA       ALA 100  14.270  11.152  11.152
  685   1HB   ALA 100           HB1      ALA 100  12.887  13.562  13.562
  686   2HB   ALA 100           HB3      ALA 100  14.027  13.880  13.880
  687   3HB   ALA 100           HB2      ALA 100  12.893  12.538  12.538

  Start of MODEL   18
    1   1H    ALA   1           HT1      ALA   1 -17.706  -9.192  -9.192
    2   2H    ALA   1           HT3      ALA   1 -18.681  -8.422  -8.422
    3   3H    ALA   1           HT2      ALA   1 -18.865 -10.085 -10.085
    4    HA   ALA   1           HA       ALA   1 -17.331 -10.595 -10.595
    5   1HB   ALA   1           HB1      ALA   1 -17.945  -7.777  -7.777
    6   2HB   ALA   1           HB3      ALA   1 -16.323  -8.193  -8.193
    7   3HB   ALA   1           HB2      ALA   1 -17.721  -9.070  -9.070
    8    H    ASP   2           HN       ASP   2 -15.500 -11.464 -11.464
    9    HA   ASP   2           HA       ASP   2 -13.442 -11.615 -11.615
   10   1HB   ASP   2           HB2      ASP   2 -12.713 -10.804 -10.804
   11   2HB   ASP   2           HB1      ASP   2 -13.091  -9.144  -9.144
   12    HA   PRO   3           HA       PRO   3 -14.435  -8.081  -8.081
   13   1HB   PRO   3           HB2      PRO   3 -16.029  -9.416  -9.416
   14   2HB   PRO   3           HB1      PRO   3 -16.682  -8.529  -8.529
   15   1HG   PRO   3           HG2      PRO   3 -16.432 -11.473 -11.473
   16   2HG   PRO   3           HG1      PRO   3 -17.573 -10.569 -10.569
   17   1HD   PRO   3           HD2      PRO   3 -15.252 -11.925 -11.925
   18   2HD   PRO   3           HD1      PRO   3 -16.246 -10.779 -10.779
   19    H    GLU   4           HN       GLU   4 -12.995 -11.040 -11.040
   20    HA   GLU   4           HA       GLU   4 -11.656 -10.743 -10.743
   21   1HB   GLU   4           HB2      GLU   4 -13.602 -12.647 -12.647
   22   2HB   GLU   4           HB1      GLU   4 -12.061 -13.503 -13.503
   23   1HG   GLU   4           HG2      GLU   4 -12.560 -13.710 -13.710
   24   2HG   GLU   4           HG1      GLU   4 -11.592 -12.235 -12.235
   25    H    LYS   5           HN       LYS   5 -11.135 -10.871 -10.871
   26    HA   LYS   5           HA       LYS   5  -8.469 -12.103 -12.103
   27   1HB   LYS   5           HB2      LYS   5 -10.003 -12.691 -12.691
   28   2HB   LYS   5           HB1      LYS   5  -8.628 -13.554 -13.554
   29   1HG   LYS   5           HG2      LYS   5 -11.210 -13.444 -13.444
   30   2HG   LYS   5           HG1      LYS   5 -11.033 -14.591 -14.591
   31   1HD   LYS   5           HD2      LYS   5  -8.645 -14.799 -14.799
   32   2HD   LYS   5           HD1      LYS   5  -9.918 -14.715 -14.715
   33   1HE   LYS   5           HE2      LYS   5 -10.323 -16.498 -16.498
   34   2HE   LYS   5           HE1      LYS   5  -9.248 -17.038 -17.038
   35   1HZ   LYS   5           HZ2      LYS   5 -11.039 -16.640 -16.640
   36   2HZ   LYS   5           HZ1      LYS   5 -12.073 -16.184 -16.184
   37   3HZ   LYS   5           HZ3      LYS   5 -11.495 -17.775 -17.775
   38    H    SER   6           HN       SER   6  -9.183  -9.401  -9.401
   39    HA   SER   6           HA       SER   6  -8.179  -8.579  -8.579
   40   1HB   SER   6           HB2      SER   6  -9.526  -6.706  -6.706
   41   2HB   SER   6           HB1      SER   6  -9.385  -6.578  -6.578
   42    HG   SER   6           HG       SER   6 -10.842  -8.590  -8.590
   43    H    TYR   7           HN       TYR   7  -6.046  -8.108  -8.108
   44    HA   TYR   7           HA       TYR   7  -5.143  -6.404  -6.404
   45   1HB   TYR   7           HB2      TYR   7  -2.947  -7.911  -7.911
   46   2HB   TYR   7           HB1      TYR   7  -4.268  -8.346  -8.346
   47    HD1  TYR   7           HD2      TYR   7  -5.821 -10.152 -10.152
   48    HD2  TYR   7           HD1      TYR   7  -2.587  -9.104  -9.104
   49    HE1  TYR   7           HE2      TYR   7  -6.139 -12.275 -12.275
   50    HE2  TYR   7           HE1      TYR   7  -2.906 -11.228 -11.228
   51    HH   TYR   7           HH       TYR   7  -3.956 -13.200 -13.200
   52    H    ALA   8           HN       ALA   8  -3.584  -4.919  -4.919
   53    HA   ALA   8           HA       ALA   8  -2.621  -4.912  -4.912
   54   1HB   ALA   8           HB3      ALA   8  -4.061  -2.907  -2.907
   55   2HB   ALA   8           HB2      ALA   8  -2.432  -2.312  -2.312
   56   3HB   ALA   8           HB1      ALA   8  -3.454  -2.827  -2.827
   57    H    GLU   9           HN       GLU   9  -0.416  -5.265  -5.265
   58    HA   GLU   9           HA       GLU   9   1.178  -4.041  -4.041
   59   1HB   GLU   9           HB2      GLU   9   1.809  -6.836  -6.836
   60   2HB   GLU   9           HB1      GLU   9   2.284  -6.035  -6.035
   61   1HG   GLU   9           HG2      GLU   9  -0.374  -5.929  -5.929
   62   2HG   GLU   9           HG1      GLU   9  -0.296  -7.355  -7.355
   63    H    GLY  10           HN       GLY  10   3.221  -3.383  -3.383
   64   1HA   GLY  10           HA2      GLY  10   4.385  -4.180  -4.180
   65   2HA   GLY  10           HA1      GLY  10   3.756  -2.539  -2.539
   66    HA   PRO  11           HA       PRO  11   8.014  -2.486  -2.486
   67   1HB   PRO  11           HB2      PRO  11   9.347  -1.451  -1.451
   68   2HB   PRO  11           HB1      PRO  11   9.215  -3.191  -3.191
   69   1HG   PRO  11           HG2      PRO  11   7.788  -1.538  -1.538
   70   2HG   PRO  11           HG1      PRO  11   8.188  -3.264  -3.264
   71   1HD   PRO  11           HD2      PRO  11   5.653  -2.165  -2.165
   72   2HD   PRO  11           HD1      PRO  11   6.156  -3.843  -3.843
   73    H    GLY  12           HN       GLY  12   5.551  -0.639  -0.639
   74   1HA   GLY  12           HA2      GLY  12   6.907   1.964   1.964
   75   2HA   GLY  12           HA1      GLY  12   5.442   1.767   1.767
   76    H    LEU  13           HN       LEU  13   5.653   3.462   3.462
   77    HA   LEU  13           HA       LEU  13   4.036   3.989   3.989
   78   1HB   LEU  13           HB2      LEU  13   2.146   2.799   2.799
   79   2HB   LEU  13           HB1      LEU  13   2.824   1.909   1.909
   80    HG   LEU  13           HG       LEU  13   3.807   0.703   0.703
   81   1HD1  LEU  13          HD11      LEU  13   0.992   1.631   1.631
   82   2HD1  LEU  13          HD13      LEU  13   1.321  -0.012  -0.012
   83   3HD1  LEU  13          HD12      LEU  13   2.127   1.354   1.354
   84   1HD2  LEU  13          HD23      LEU  13   2.447   0.006   0.006
   85   2HD2  LEU  13          HD22      LEU  13   3.472  -1.002  -1.002
   86   3HD2  LEU  13          HD21      LEU  13   1.745  -0.872  -0.872
   87    H    ASP  14           HN       ASP  14   6.518   1.805   1.805
   88    HA   ASP  14           HA       ASP  14   6.422   0.962   0.962
   89   1HB   ASP  14           HB2      ASP  14   8.945   1.566   1.566
   90   2HB   ASP  14           HB1      ASP  14   8.682   0.329   0.329
   91    H    GLY  15           HN       GLY  15   7.105   3.887   3.887
   92   1HA   GLY  15           HA2      GLY  15   7.333   6.052   6.052
   93   2HA   GLY  15           HA1      GLY  15   7.530   5.279   5.279
   94    H    GLY  16           HN       GLY  16   9.370   5.978   5.978
   95   1HA   GLY  16           HA2      GLY  16  11.695   6.195   6.195
   96   2HA   GLY  16           HA1      GLY  16  11.883   5.157   5.157
   97    H    GLU  17           HN       GLU  17  11.949   6.146   6.146
   98    HA   GLU  17           HA       GLU  17  12.807   8.995   8.995
   99   1HB   GLU  17           HB2      GLU  17  13.515   6.718   6.718
  100   2HB   GLU  17           HB1      GLU  17  13.805   8.366   8.366
  101   1HG   GLU  17           HG2      GLU  17  15.298   8.779   8.779
  102   2HG   GLU  17           HG1      GLU  17  14.756   7.345   7.345
  103    H    CYS  18           HN       CYS  18  12.065  10.498  10.498
  104    HA   CYS  18           HA       CYS  18   9.461   9.936   9.936
  105   1HB   CYS  18           HB2      CYS  18  11.011  12.402  12.402
  106   2HB   CYS  18           HB1      CYS  18   9.969  12.461  12.461
  107    HG   CYS  18           HG       CYS  18   8.944  12.697  12.697
  108    H    PHE  19           HN       PHE  19  12.759  10.090  10.090
  109    HA   PHE  19           HA       PHE  19  12.105  10.670  10.670
  110   1HB   PHE  19           HB2      PHE  19  14.705  10.268  10.268
  111   2HB   PHE  19           HB1      PHE  19  14.630  10.379  10.379
  112    HD1  PHE  19           HD1      PHE  19  12.953  12.062  12.062
  113    HD2  PHE  19           HD2      PHE  19  15.067  12.536  12.536
  114    HE1  PHE  19           HE1      PHE  19  12.688  14.500  14.500
  115    HE2  PHE  19           HE2      PHE  19  14.809  15.001  15.001
  116    HZ   PHE  19           HZ       PHE  19  13.607  15.964  15.964
  117    H    GLN  20           HN       GLN  20  11.531   8.109   8.109
  118    HA   GLN  20           HA       GLN  20  12.732   6.152   6.152
  119   1HB   GLN  20           HB2      GLN  20  11.771   6.061   6.061
  120   2HB   GLN  20           HB1      GLN  20  11.087   4.769   4.769
  121   1HG   GLN  20           HG2      GLN  20  13.797   4.897   4.897
  122   2HG   GLN  20           HG1      GLN  20  13.786   5.049   5.049
  123   1HE2  GLN  20          HE22      GLN  20  13.769   1.432   1.432
  124   2HE2  GLN  20          HE21      GLN  20  14.853   2.737   2.737
  125    HA   PRO  21           HA       PRO  21   8.987   6.285   6.285
  126   1HB   PRO  21           HB2      PRO  21   9.076   3.759   3.759
  127   2HB   PRO  21           HB1      PRO  21  10.032   5.133   5.133
  128   1HG   PRO  21           HG2      PRO  21  10.907   2.801   2.801
  129   2HG   PRO  21           HG1      PRO  21  11.829   3.738   3.738
  130   1HD   PRO  21           HD2      PRO  21  12.058   4.049   4.049
  131   2HD   PRO  21           HD1      PRO  21  12.505   5.291   5.291
  132    H    SER  22           HN       SER  22   6.909   5.999   5.999
  133    HA   SER  22           HA       SER  22   6.538   3.794   3.794
  134   1HB   SER  22           HB2      SER  22   5.948   6.463   6.463
  135   2HB   SER  22           HB1      SER  22   4.402   5.743   5.743
  136    HG   SER  22           HG       SER  22   5.052   4.177   4.177
  137    H    LYS  23           HN       LYS  23   5.721   1.995   1.995
  138    HA   LYS  23           HA       LYS  23   3.288   2.301   2.301
  139   1HB   LYS  23           HB2      LYS  23   5.527   0.615   0.615
  140   2HB   LYS  23           HB1      LYS  23   4.135   1.280   1.280
  141   1HG   LYS  23           HG2      LYS  23   5.051   3.547   3.547
  142   2HG   LYS  23           HG1      LYS  23   6.433   2.908   2.908
  143   1HD   LYS  23           HD2      LYS  23   6.712   3.373   3.373
  144   2HD   LYS  23           HD1      LYS  23   7.310   1.842   1.842
  145   1HE   LYS  23           HE2      LYS  23   5.488   0.627   0.627
  146   2HE   LYS  23           HE1      LYS  23   4.512   2.079   2.079
  147   1HZ   LYS  23           HZ1      LYS  23   6.289   2.808   2.808
  148   2HZ   LYS  23           HZ3      LYS  23   6.853   1.208   1.208
  149   3HZ   LYS  23           HZ2      LYS  23   5.277   1.539   1.539
  150    H    PHE  24           HN       PHE  24   1.929   0.602   0.602
  151    HA   PHE  24           HA       PHE  24   3.042  -1.946  -1.946
  152   1HB   PHE  24           HB2      PHE  24   0.591  -1.495  -1.495
  153   2HB   PHE  24           HB1      PHE  24   2.197  -1.754  -1.754
  154    HD1  PHE  24           HD2      PHE  24   3.799   0.362   0.362
  155    HD2  PHE  24           HD1      PHE  24  -0.482   0.477   0.477
  156    HE1  PHE  24           HE2      PHE  24   3.906   2.728   2.728
  157    HE2  PHE  24           HE1      PHE  24  -0.377   2.849   2.849
  158    HZ   PHE  24           HZ       PHE  24   1.833   3.960   3.960
  159    H    LYS  25           HN       LYS  25   1.510  -3.749  -3.749
  160    HA   LYS  25           HA       LYS  25  -0.511  -3.169  -3.169
  161   1HB   LYS  25           HB2      LYS  25   1.276  -5.561  -5.561
  162   2HB   LYS  25           HB1      LYS  25  -0.149  -5.666  -5.666
  163   1HG   LYS  25           HG2      LYS  25   0.702  -4.035  -4.035
  164   2HG   LYS  25           HG1      LYS  25   1.969  -3.545  -3.545
  165   1HD   LYS  25           HD2      LYS  25   3.019  -4.932  -4.932
  166   2HD   LYS  25           HD1      LYS  25   2.894  -5.904  -5.904
  167   1HE   LYS  25           HE2      LYS  25   2.184  -7.249  -7.249
  168   2HE   LYS  25           HE1      LYS  25   0.779  -6.895  -6.895
  169   1HZ   LYS  25           HZ3      LYS  25   1.522  -5.196  -5.196
  170   2HZ   LYS  25           HZ2      LYS  25   0.531  -6.564  -6.564
  171   3HZ   LYS  25           HZ1      LYS  25   0.035  -5.277  -5.277
  172    H    ILE  26           HN       ILE  26  -2.593  -4.059  -4.059
  173    HA   ILE  26           HA       ILE  26  -3.029  -5.192  -5.192
  174    HB   ILE  26           HB       ILE  26  -5.157  -3.909  -3.909
  175   1HG1  ILE  26          HG12      ILE  26  -2.941  -2.620  -2.620
  176   2HG1  ILE  26          HG11      ILE  26  -3.532  -2.198  -2.198
  177   1HG2  ILE  26          HG22      ILE  26  -4.690  -4.170  -4.170
  178   2HG2  ILE  26          HG21      ILE  26  -6.088  -3.402  -3.402
  179   3HG2  ILE  26          HG23      ILE  26  -5.819  -5.132  -5.132
  180   1HD1  ILE  26          HD13      ILE  26  -5.773  -1.912  -1.912
  181   2HD1  ILE  26          HD12      ILE  26  -4.456  -1.284  -1.284
  182   3HD1  ILE  26          HD11      ILE  26  -4.760  -0.603  -0.603
  183    H    HIS  27           HN       HIS  27  -4.541  -6.872  -6.872
  184    HA   HIS  27           HA       HIS  27  -5.503  -8.197  -8.197
  185   1HB   HIS  27           HB2      HIS  27  -4.207  -9.860  -9.860
  186   2HB   HIS  27           HB1      HIS  27  -4.494 -10.265 -10.265
  187    HD1  HIS  27           HD1      HIS  27  -2.569  -7.522  -7.522
  188    HD2  HIS  27           HD2      HIS  27  -2.132 -10.097 -10.097
  189    HE1  HIS  27           HE1      HIS  27  -0.306  -7.029  -7.029
  190    H    ALA  28           HN       ALA  28  -7.625  -8.518  -8.518
  191    HA   ALA  28           HA       ALA  28  -8.654  -8.903  -8.903
  192   1HB   ALA  28           HB2      ALA  28  -9.730  -7.711  -7.711
  193   2HB   ALA  28           HB1      ALA  28 -10.882  -8.595  -8.595
  194   3HB   ALA  28           HB3      ALA  28  -9.990  -7.236  -7.236
  195    H    VAL  29           HN       VAL  29  -9.485 -10.896 -10.896
  196    HA   VAL  29           HA       VAL  29 -10.033 -12.829 -12.829
  197    HB   VAL  29           HB       VAL  29  -8.677 -13.175 -13.175
  198   1HG1  VAL  29          HG13      VAL  29 -10.439 -15.247 -15.247
  199   2HG1  VAL  29          HG12      VAL  29  -9.166 -15.668 -15.668
  200   3HG1  VAL  29          HG11      VAL  29 -10.531 -14.683 -14.683
  201   1HG2  VAL  29          HG23      VAL  29  -8.377 -14.184 -14.184
  202   2HG2  VAL  29          HG22      VAL  29  -7.251 -13.200 -13.200
  203   3HG2  VAL  29          HG21      VAL  29  -7.481 -14.903 -14.903
  204    H    ASP  30           HN       ASP  30 -12.097 -13.377 -13.377
  205    HA   ASP  30           HA       ASP  30 -13.973 -12.617 -12.617
  206   1HB   ASP  30           HB2      ASP  30 -15.556 -12.399 -12.399
  207   2HB   ASP  30           HB1      ASP  30 -14.115 -12.197 -12.197
  208    HA   PRO  31           HA       PRO  31 -14.930 -16.721 -16.721
  209   1HB   PRO  31           HB2      PRO  31 -17.655 -16.967 -16.967
  210   2HB   PRO  31           HB1      PRO  31 -16.862 -16.018 -16.018
  211   1HG   PRO  31           HG2      PRO  31 -18.291 -15.069 -15.069
  212   2HG   PRO  31           HG1      PRO  31 -18.028 -14.238 -14.238
  213   1HD   PRO  31           HD2      PRO  31 -16.598 -13.794 -13.794
  214   2HD   PRO  31           HD1      PRO  31 -16.151 -13.191 -13.191
  215    H    ASP  32           HN       ASP  32 -14.733 -16.232 -16.232
  216    HA   ASP  32           HA       ASP  32 -15.909 -18.911 -18.911
  217   1HB   ASP  32           HB2      ASP  32 -16.882 -16.850 -16.850
  218   2HB   ASP  32           HB1      ASP  32 -15.324 -16.712 -16.712
  219    H    GLY  33           HN       GLY  33 -13.088 -17.623 -17.623
  220   1HA   GLY  33           HA2      GLY  33 -10.868 -18.341 -18.341
  221   2HA   GLY  33           HA1      GLY  33 -11.502 -19.601 -19.601
  222    H    VAL  34           HN       VAL  34 -12.138 -16.161 -16.161
  223    HA   VAL  34           HA       VAL  34 -10.449 -15.874 -15.874
  224    HB   VAL  34           HB       VAL  34 -13.315 -15.010 -15.010
  225   1HG1  VAL  34          HG11      VAL  34 -10.992 -15.360 -15.360
  226   2HG1  VAL  34          HG13      VAL  34 -12.387 -16.229 -16.229
  227   3HG1  VAL  34          HG12      VAL  34 -12.498 -14.497 -14.497
  228   1HG2  VAL  34          HG21      VAL  34 -12.305 -17.857 -17.857
  229   2HG2  VAL  34          HG23      VAL  34 -13.667 -17.260 -17.260
  230   3HG2  VAL  34          HG22      VAL  34 -13.773 -17.311 -17.311
  231    H    HIS  35           HN       HIS  35 -10.869 -13.492 -13.492
  232    HA   HIS  35           HA       HIS  35 -10.569 -11.751 -11.751
  233   1HB   HIS  35           HB2      HIS  35 -10.128 -11.483 -11.483
  234   2HB   HIS  35           HB1      HIS  35 -10.340 -10.020 -10.020
  235    HD1  HIS  35           HD1      HIS  35  -7.931 -12.744 -12.744
  236    HD2  HIS  35           HD2      HIS  35  -8.340  -9.670  -9.670
  237    HE1  HIS  35           HE1      HIS  35  -5.682 -12.514 -12.514
  238    H    ARG  36           HN       ARG  36 -13.035 -12.688 -12.688
  239    HA   ARG  36           HA       ARG  36 -15.313 -12.186 -12.186
  240   1HB   ARG  36           HB2      ARG  36 -14.162 -10.105 -10.105
  241   2HB   ARG  36           HB1      ARG  36 -14.587  -9.300  -9.300
  242   1HG   ARG  36           HG2      ARG  36 -16.868 -10.759 -10.759
  243   2HG   ARG  36           HG1      ARG  36 -16.308 -10.087 -10.087
  244   1HD   ARG  36           HD2      ARG  36 -16.793  -7.947  -7.947
  245   2HD   ARG  36           HD1      ARG  36 -16.210  -8.199  -8.199
  246    HE   ARG  36           HE       ARG  36 -18.531  -9.612  -9.612
  247   1HH1  ARG  36          HH21      ARG  36 -18.544  -7.271  -7.271
  248   2HH1  ARG  36          HH22      ARG  36 -19.739  -6.256  -6.256
  249   1HH2  ARG  36          HH11      ARG  36 -19.721  -7.976  -7.976
  250   2HH2  ARG  36          HH12      ARG  36 -20.407  -6.657  -6.657
  251    H    THR  37           HN       THR  37 -14.948 -13.223 -13.223
  252    HA   THR  37           HA       THR  37 -15.241 -13.116 -13.116
  253    HB   THR  37           HB       THR  37 -17.274 -11.016 -11.016
  254    HG1  THR  37           HG1      THR  37 -17.420 -11.650 -11.650
  255   1HG2  THR  37          HG22      THR  37 -17.176 -13.957 -13.957
  256   2HG2  THR  37          HG21      THR  37 -18.680 -13.037 -13.037
  257   3HG2  THR  37          HG23      THR  37 -17.350 -12.592 -12.592
  258    H    ASP  38           HN       ASP  38 -13.122 -11.999 -11.999
  259    HA   ASP  38           HA       ASP  38 -12.509  -9.337  -9.337
  260   1HB   ASP  38           HB2      ASP  38 -11.402 -11.504 -11.504
  261   2HB   ASP  38           HB1      ASP  38 -11.707 -10.343 -10.343
  262    H    GLY  39           HN       GLY  39 -12.356  -7.672  -7.672
  263   1HA   GLY  39           HA2      GLY  39 -13.379  -6.811  -6.811
  264   2HA   GLY  39           HA1      GLY  39 -14.847  -7.689  -7.689
  265    H    GLY  40           HN       GLY  40 -15.180  -6.965  -6.965
  266   1HA   GLY  40           HA2      GLY  40 -15.029  -4.018  -4.018
  267   2HA   GLY  40           HA1      GLY  40 -16.648  -4.719  -4.719
  268    H    ASP  41           HN       ASP  41 -13.559  -4.889  -4.889
  269    HA   ASP  41           HA       ASP  41 -14.993  -6.044  -6.044
  270   1HB   ASP  41           HB2      ASP  41 -12.100  -5.377  -5.377
  271   2HB   ASP  41           HB1      ASP  41 -12.630  -5.747  -5.747
  272    H    GLY  42           HN       GLY  42 -15.646  -4.830  -4.830
  273   1HA   GLY  42           HA2      GLY  42 -15.676  -1.946  -1.946
  274   2HA   GLY  42           HA1      GLY  42 -16.182  -2.873  -2.873
  275    H    PHE  43           HN       PHE  43 -13.113  -2.306  -2.306
  276    HA   PHE  43           HA       PHE  43 -11.719  -2.203  -2.203
  277   1HB   PHE  43           HB2      PHE  43 -11.096  -3.278  -3.278
  278   2HB   PHE  43           HB1      PHE  43  -9.970  -1.955  -1.955
  279    HD1  PHE  43           HD2      PHE  43  -9.874  -2.134  -2.134
  280    HD2  PHE  43           HD1      PHE  43  -9.647  -5.129  -5.129
  281    HE1  PHE  43           HE2      PHE  43  -8.530  -3.595  -3.595
  282    HE2  PHE  43           HE1      PHE  43  -8.293  -6.567  -6.567
  283    HZ   PHE  43           HZ       PHE  43  -7.740  -5.802  -5.802
  284    H    VAL  44           HN       VAL  44 -11.574  -0.182  -0.182
  285    HA   VAL  44           HA       VAL  44 -10.884   2.021   2.021
  286    HB   VAL  44           HB       VAL  44 -12.819   2.993   2.993
  287   1HG1  VAL  44          HG12      VAL  44 -12.787   0.816   0.816
  288   2HG1  VAL  44          HG11      VAL  44 -13.742   2.237   2.237
  289   3HG1  VAL  44          HG13      VAL  44 -14.075   1.337   1.337
  290   1HG2  VAL  44          HG21      VAL  44 -10.970   4.171   4.171
  291   2HG2  VAL  44          HG23      VAL  44 -12.629   4.416   4.416
  292   3HG2  VAL  44          HG22      VAL  44 -11.580   3.282   3.282
  293    H    VAL  45           HN       VAL  45  -8.789   2.525   2.525
  294    HA   VAL  45           HA       VAL  45  -7.729   2.437   2.437
  295    HB   VAL  45           HB       VAL  45  -6.072   2.062   2.062
  296   1HG1  VAL  45          HG11      VAL  45  -5.509   2.349   2.349
  297   2HG1  VAL  45          HG13      VAL  45  -5.184   0.667   0.667
  298   3HG1  VAL  45          HG12      VAL  45  -4.375   1.966   1.966
  299   1HG2  VAL  45          HG21      VAL  45  -8.073   0.315   0.315
  300   2HG2  VAL  45          HG23      VAL  45  -6.714  -0.085  -0.085
  301   3HG2  VAL  45          HG22      VAL  45  -6.597  -0.350  -0.350
  302    H    THR  46           HN       THR  46  -6.289   4.141   4.141
  303    HA   THR  46           HA       THR  46  -5.647   6.198   6.198
  304    HB   THR  46           HB       THR  46  -6.988   7.685   7.685
  305    HG1  THR  46           HG1      THR  46  -9.142   6.692   6.692
  306   1HG2  THR  46          HG21      THR  46  -7.419   7.094   7.094
  307   2HG2  THR  46          HG23      THR  46  -8.513   8.157   8.157
  308   3HG2  THR  46          HG22      THR  46  -6.804   8.568   8.568
  309    H    ILE  47           HN       ILE  47  -3.865   7.281   7.281
  310    HA   ILE  47           HA       ILE  47  -3.027   7.173   7.173
  311    HB   ILE  47           HB       ILE  47  -1.436   6.649   6.649
  312   1HG1  ILE  47          HG12      ILE  47  -2.004   5.301   5.301
  313   2HG1  ILE  47          HG11      ILE  47  -1.710   4.599   4.599
  314   1HG2  ILE  47          HG23      ILE  47  -0.310   7.730   7.730
  315   2HG2  ILE  47          HG22      ILE  47   0.650   7.106   7.106
  316   3HG2  ILE  47          HG21      ILE  47  -0.302   8.563   8.563
  317   1HD1  ILE  47          HD11      ILE  47   0.721   5.382   5.382
  318   2HD1  ILE  47          HD13      ILE  47   0.331   5.633   5.633
  319   3HD1  ILE  47          HD12      ILE  47   0.221   4.018   4.018
  320    H    GLU  48           HN       GLU  48  -1.699   8.997   8.997
  321    HA   GLU  48           HA       GLU  48  -1.173  11.118  11.118
  322   1HB   GLU  48           HB2      GLU  48  -2.788  12.742  12.742
  323   2HB   GLU  48           HB1      GLU  48  -3.352  11.881  11.881
  324   1HG   GLU  48           HG2      GLU  48  -4.730  10.536  10.536
  325   2HG   GLU  48           HG1      GLU  48  -3.539  10.313  10.313
  326    H    GLY  49           HN       GLY  49  -0.068  12.886  12.886
  327   1HA   GLY  49           HA2      GLY  49   0.495  12.921  12.921
  328   2HA   GLY  49           HA1      GLY  49   1.862  12.454  12.454
  329    HA   PRO  50           HA       PRO  50   1.676  17.088  17.088
  330   1HB   PRO  50           HB2      PRO  50   4.247  17.424  17.424
  331   2HB   PRO  50           HB1      PRO  50   2.837  17.270  17.270
  332   1HG   PRO  50           HG2      PRO  50   4.958  15.264  15.264
  333   2HG   PRO  50           HG1      PRO  50   3.960  15.434  15.434
  334   1HD   PRO  50           HD2      PRO  50   3.557  13.541  13.541
  335   2HD   PRO  50           HD1      PRO  50   2.377  13.975  13.975
  336    H    ALA  51           HN       ALA  51   1.716  16.284  16.284
  337    HA   ALA  51           HA       ALA  51   4.148  17.358  17.358
  338   1HB   ALA  51           HB2      ALA  51   3.842  14.546  14.546
  339   2HB   ALA  51           HB1      ALA  51   3.621  14.885  14.885
  340   3HB   ALA  51           HB3      ALA  51   5.101  15.389  15.389
  341    HA   PRO  52           HA       PRO  52   1.365  18.311  18.311
  342   1HB   PRO  52           HB2      PRO  52   2.761  17.672  17.672
  343   2HB   PRO  52           HB1      PRO  52   3.138  19.070  19.070
  344   1HG   PRO  52           HG2      PRO  52   4.596  16.481  16.481
  345   2HG   PRO  52           HG1      PRO  52   5.210  18.074  18.074
  346   1HD   PRO  52           HD2      PRO  52   4.611  15.941  15.941
  347   2HD   PRO  52           HD1      PRO  52   4.907  17.629  17.629
  348    H    VAL  53           HN       VAL  53   2.930  15.242  15.242
  349    HA   VAL  53           HA       VAL  53   0.356  14.294  14.294
  350    HB   VAL  53           HB       VAL  53   2.942  12.732  12.732
  351   1HG1  VAL  53          HG12      VAL  53   0.891  11.551  11.551
  352   2HG1  VAL  53          HG11      VAL  53   0.619  12.767  12.767
  353   3HG1  VAL  53          HG13      VAL  53   2.025  11.707  11.707
  354   1HG2  VAL  53          HG23      VAL  53   2.881  15.227  15.227
  355   2HG2  VAL  53          HG22      VAL  53   3.873  13.920  13.920
  356   3HG2  VAL  53          HG21      VAL  53   2.309  14.281  14.281
  357    H    ASP  54           HN       ASP  54  -0.582  14.267  14.267
  358    HA   ASP  54           HA       ASP  54   0.494  12.127  12.127
  359   1HB   ASP  54           HB2      ASP  54  -1.809  14.052  14.052
  360   2HB   ASP  54           HB1      ASP  54  -1.260  12.881  12.881
  361    HA   PRO  55           HA       PRO  55  -3.780  10.271  10.271
  362   1HB   PRO  55           HB2      PRO  55  -5.265  11.445  11.445
  363   2HB   PRO  55           HB1      PRO  55  -5.371  11.919  11.919
  364   1HG   PRO  55           HG2      PRO  55  -4.095  13.363  13.363
  365   2HG   PRO  55           HG1      PRO  55  -4.727  14.004  14.004
  366   1HD   PRO  55           HD2      PRO  55  -1.990  13.526  13.526
  367   2HD   PRO  55           HD1      PRO  55  -2.655  13.959  13.959
  368    H    VAL  56           HN       VAL  56  -2.530   8.552   8.552
  369    HA   VAL  56           HA       VAL  56  -2.600   8.614   8.614
  370    HB   VAL  56           HB       VAL  56  -0.354   7.436   7.436
  371   1HG1  VAL  56          HG11      VAL  56  -0.888   8.116   8.116
  372   2HG1  VAL  56          HG13      VAL  56   0.768   7.954   7.954
  373   3HG1  VAL  56          HG12      VAL  56  -0.344   6.589   6.589
  374   1HG2  VAL  56          HG23      VAL  56  -0.895  10.269  10.269
  375   2HG2  VAL  56          HG22      VAL  56   0.105   9.611   9.611
  376   3HG2  VAL  56          HG21      VAL  56   0.734   9.688   9.688
  377    H    MET  57           HN       MET  57  -4.352   7.092   7.092
  378    HA   MET  57           HA       MET  57  -3.446   4.369   4.369
  379   1HB   MET  57           HB2      MET  57  -5.426   3.791   3.791
  380   2HB   MET  57           HB1      MET  57  -4.886   5.321   5.321
  381   1HG   MET  57           HG2      MET  57  -6.931   6.150   6.150
  382   2HG   MET  57           HG1      MET  57  -6.525   6.032   6.032
  383   1HE   MET  57           HE1      MET  57  -8.947   5.803   5.803
  384   2HE   MET  57           HE3      MET  57  -7.828   4.784   4.784
  385   3HE   MET  57           HE2      MET  57  -9.406   4.160   4.160
  386    H    VAL  58           HN       VAL  58  -3.978   2.862   2.862
  387    HA   VAL  58           HA       VAL  58  -5.957   3.645   3.645
  388    HB   VAL  58           HB       VAL  58  -3.786   1.910   1.910
  389   1HG1  VAL  58          HG13      VAL  58  -5.286   4.354   4.354
  390   2HG1  VAL  58          HG12      VAL  58  -3.818   3.865   3.865
  391   3HG1  VAL  58          HG11      VAL  58  -5.193   2.765   2.765
  392   1HG2  VAL  58          HG23      VAL  58  -3.207   4.647   4.647
  393   2HG2  VAL  58          HG22      VAL  58  -2.265   3.164   3.164
  394   3HG2  VAL  58          HG21      VAL  58  -2.282   4.034   4.034
  395    H    ASP  59           HN       ASP  59  -6.975   1.819   1.819
  396    HA   ASP  59           HA       ASP  59  -6.828  -0.725  -0.725
  397   1HB   ASP  59           HB2      ASP  59  -8.945   0.207   0.207
  398   2HB   ASP  59           HB1      ASP  59  -9.196   0.779   0.779
  399    H    ASN  60           HN       ASN  60  -6.266  -2.464  -2.464
  400    HA   ASN  60           HA       ASN  60  -6.112  -2.097  -2.097
  401   1HB   ASN  60           HB2      ASN  60  -5.212  -4.351  -4.351
  402   2HB   ASN  60           HB1      ASN  60  -4.957  -4.318  -4.318
  403   1HD2  ASN  60          HD22      ASN  60  -2.174  -2.617  -2.617
  404   2HD2  ASN  60          HD21      ASN  60  -3.152  -3.930  -3.930
  405    H    GLY  61           HN       GLY  61  -8.413  -3.338  -3.338
  406   1HA   GLY  61           HA2      GLY  61 -10.445  -4.414  -4.414
  407   2HA   GLY  61           HA1      GLY  61 -10.028  -4.309  -4.309
  408    H    ASP  62           HN       ASP  62  -7.585  -5.711  -5.711
  409    HA   ASP  62           HA       ASP  62  -8.416  -8.422  -8.422
  410   1HB   ASP  62           HB2      ASP  62  -6.012  -8.985  -8.985
  411   2HB   ASP  62           HB1      ASP  62  -6.319  -7.589  -7.589
  412    H    GLY  63           HN       GLY  63  -9.357  -7.252  -7.252
  413   1HA   GLY  63           HA2      GLY  63  -9.689  -7.940  -7.940
  414   2HA   GLY  63           HA1      GLY  63  -8.751  -9.376  -9.376
  415    H    THR  64           HN       THR  64  -6.875  -6.760  -6.760
  416    HA   THR  64           HA       THR  64  -5.671  -6.596  -6.596
  417    HB   THR  64           HB       THR  64  -3.442  -6.473  -6.473
  418    HG1  THR  64           HG1      THR  64  -3.475  -7.404  -7.404
  419   1HG2  THR  64          HG21      THR  64  -4.988  -8.651  -8.651
  420   2HG2  THR  64          HG23      THR  64  -4.067  -9.223  -9.223
  421   3HG2  THR  64          HG22      THR  64  -3.234  -8.467  -8.467
  422    H    TYR  65           HN       TYR  65  -4.784  -4.549  -4.549
  423    HA   TYR  65           HA       TYR  65  -5.199  -2.456  -2.456
  424   1HB   TYR  65           HB2      TYR  65  -5.791  -2.341  -2.341
  425   2HB   TYR  65           HB1      TYR  65  -5.814  -0.929  -0.929
  426    HD1  TYR  65           HD1      TYR  65  -7.070  -4.466  -4.466
  427    HD2  TYR  65           HD2      TYR  65  -7.879  -0.344  -0.344
  428    HE1  TYR  65           HE1      TYR  65  -9.296  -5.089  -5.089
  429    HE2  TYR  65           HE2      TYR  65 -10.121  -0.960  -0.960
  430    HH   TYR  65           HH       TYR  65 -11.028  -3.730  -3.730
  431    H    ASP  66           HN       ASP  66  -3.747  -0.634  -0.634
  432    HA   ASP  66           HA       ASP  66  -1.294  -1.143  -1.143
  433   1HB   ASP  66           HB2      ASP  66  -1.435  -0.210  -0.210
  434   2HB   ASP  66           HB1      ASP  66   0.043  -0.315  -0.315
  435    H    VAL  67           HN       VAL  67  -0.690   0.609   0.609
  436    HA   VAL  67           HA       VAL  67  -1.747   3.257   3.257
  437    HB   VAL  67           HB       VAL  67  -2.309   3.801   3.801
  438   1HG1  VAL  67          HG13      VAL  67  -3.240   1.364   1.364
  439   2HG1  VAL  67          HG12      VAL  67  -3.026   1.083   1.083
  440   3HG1  VAL  67          HG11      VAL  67  -4.070   2.389   2.389
  441   1HG2  VAL  67          HG21      VAL  67  -0.510   1.524   1.524
  442   2HG2  VAL  67          HG23      VAL  67  -0.380   3.220   3.220
  443   3HG2  VAL  67          HG22      VAL  67  -1.662   2.216   2.216
  444    H    GLU  68           HN       GLU  68  -0.212   5.041   5.041
  445    HA   GLU  68           HA       GLU  68   2.421   4.382   4.382
  446   1HB   GLU  68           HB2      GLU  68   2.379   5.420   5.420
  447   2HB   GLU  68           HB1      GLU  68   3.701   4.650   4.650
  448   1HG   GLU  68           HG2      GLU  68   2.913   2.987   2.987
  449   2HG   GLU  68           HG1      GLU  68   2.212   2.542   2.542
  450    H    PHE  69           HN       PHE  69   3.202   6.160   6.160
  451    HA   PHE  69           HA       PHE  69   2.685   8.819   8.819
  452   1HB   PHE  69           HB2      PHE  69   2.194   9.894   9.894
  453   2HB   PHE  69           HB1      PHE  69   1.087   8.532   8.532
  454    HD1  PHE  69           HD1      PHE  69   2.117   6.234   6.234
  455    HD2  PHE  69           HD2      PHE  69   3.289  10.186  10.186
  456    HE1  PHE  69           HE1      PHE  69   2.963   5.344   5.344
  457    HE2  PHE  69           HE2      PHE  69   4.135   9.289   9.289
  458    HZ   PHE  69           HZ       PHE  69   3.953   6.848   6.848
  459    H    GLU  70           HN       GLU  70   4.454  10.374  10.374
  460    HA   GLU  70           HA       GLU  70   6.780   9.218   9.218
  461   1HB   GLU  70           HB2      GLU  70   8.262   9.507   9.507
  462   2HB   GLU  70           HB1      GLU  70   6.991   8.323   8.323
  463   1HG   GLU  70           HG2      GLU  70   6.188   9.533   9.533
  464   2HG   GLU  70           HG1      GLU  70   6.066  10.971  10.971
  465    HA   PRO  71           HA       PRO  71   6.658  13.731  13.731
  466   1HB   PRO  71           HB2      PRO  71   7.465  13.581  13.581
  467   2HB   PRO  71           HB1      PRO  71   5.780  13.398  13.398
  468   1HG   PRO  71           HG2      PRO  71   7.691  11.312  11.312
  469   2HG   PRO  71           HG1      PRO  71   5.920  11.313  11.313
  470   1HD   PRO  71           HD2      PRO  71   7.555   9.939   9.939
  471   2HD   PRO  71           HD1      PRO  71   5.794  10.159  10.159
  472    H    LYS  72           HN       LYS  72   8.469  15.169  15.169
  473    HA   LYS  72           HA       LYS  72  11.203  14.014  14.014
  474   1HB   LYS  72           HB2      LYS  72  11.644  16.444  16.444
  475   2HB   LYS  72           HB1      LYS  72  11.159  15.089  15.089
  476   1HG   LYS  72           HG2      LYS  72   8.873  15.804  15.804
  477   2HG   LYS  72           HG1      LYS  72   9.154  16.967  16.967
  478   1HD   LYS  72           HD2      LYS  72   9.221  18.367  18.367
  479   2HD   LYS  72           HD1      LYS  72  10.928  17.951  17.951
  480   1HE   LYS  72           HE2      LYS  72  10.308  15.940  15.940
  481   2HE   LYS  72           HE1      LYS  72   8.909  16.930  16.930
  482   1HZ   LYS  72           HZ2      LYS  72  11.646  18.043  18.043
  483   2HZ   LYS  72           HZ1      LYS  72  11.016  17.204  17.204
  484   3HZ   LYS  72           HZ3      LYS  72  10.253  18.615  18.615
  485    H    GLU  73           HN       GLU  73   9.674  14.785  14.785
  486    HA   GLU  73           HA       GLU  73  11.751  16.534  16.534
  487   1HB   GLU  73           HB2      GLU  73  10.128  18.140  18.140
  488   2HB   GLU  73           HB1      GLU  73   9.999  18.100  18.100
  489   1HG   GLU  73           HG2      GLU  73   8.130  16.413  16.413
  490   2HG   GLU  73           HG1      GLU  73   8.172  16.747  16.747
  491    H    ALA  74           HN       ALA  74  10.028  16.958  16.958
  492    HA   ALA  74           HA       ALA  74  10.242  14.209  14.209
  493   1HB   ALA  74           HB1      ALA  74  11.115  16.567  16.567
  494   2HB   ALA  74           HB3      ALA  74   9.514  16.467  16.467
  495   3HB   ALA  74           HB2      ALA  74  10.681  15.171  15.171
  496    H    GLY  75           HN       GLY  75   8.368  13.045  13.045
  497   1HA   GLY  75           HA2      GLY  75   5.860  14.457  14.457
  498   2HA   GLY  75           HA1      GLY  75   5.953  13.771  13.771
  499    H    ASP  76           HN       ASP  76   4.047  13.024  13.024
  500    HA   ASP  76           HA       ASP  76   4.844  10.212  10.212
  501   1HB   ASP  76           HB2      ASP  76   2.848  10.325  10.325
  502   2HB   ASP  76           HB1      ASP  76   4.208  11.347  11.347
  503    H    TYR  77           HN       TYR  77   3.174   8.626   8.626
  504    HA   TYR  77           HA       TYR  77   1.450   9.600   9.600
  505   1HB   TYR  77           HB2      TYR  77   2.216   6.727   6.727
  506   2HB   TYR  77           HB1      TYR  77   1.703   7.556   7.556
  507    HD1  TYR  77           HD1      TYR  77   3.430  10.016  10.016
  508    HD2  TYR  77           HD2      TYR  77   4.268   5.832   5.832
  509    HE1  TYR  77           HE1      TYR  77   5.772  10.424  10.424
  510    HE2  TYR  77           HE2      TYR  77   6.609   6.226   6.226
  511    HH   TYR  77           HH       TYR  77   7.690   9.403   9.403
  512    H    VAL  78           HN       VAL  78  -0.643   9.167   9.167
  513    HA   VAL  78           HA       VAL  78  -1.683   7.448   7.448
  514    HB   VAL  78           HB       VAL  78  -2.578   9.578   9.578
  515   1HG1  VAL  78          HG11      VAL  78  -2.679   9.809   9.809
  516   2HG1  VAL  78          HG13      VAL  78  -3.682  10.856  10.856
  517   3HG1  VAL  78          HG12      VAL  78  -1.927  10.895  10.895
  518   1HG2  VAL  78          HG23      VAL  78  -4.236   7.533   7.533
  519   2HG2  VAL  78          HG22      VAL  78  -4.738   8.938   8.938
  520   3HG2  VAL  78          HG21      VAL  78  -4.852   8.966   8.966
  521    H    ILE  79           HN       ILE  79  -2.720   5.667   5.667
  522    HA   ILE  79           HA       ILE  79  -3.148   5.507   5.507
  523    HB   ILE  79           HB       ILE  79  -3.181   2.992   2.992
  524   1HG1  ILE  79          HG12      ILE  79  -0.484   3.294   3.294
  525   2HG1  ILE  79          HG11      ILE  79  -0.945   4.939   4.939
  526   1HG2  ILE  79          HG22      ILE  79  -3.137   3.333   3.333
  527   2HG2  ILE  79          HG21      ILE  79  -1.463   3.854   3.854
  528   3HG2  ILE  79          HG23      ILE  79  -1.935   2.217   2.217
  529   1HD1  ILE  79          HD13      ILE  79  -2.432   3.726   3.726
  530   2HD1  ILE  79          HD12      ILE  79  -1.289   2.407   2.407
  531   3HD1  ILE  79          HD11      ILE  79  -0.716   3.984   3.984
  532    H    ASN  80           HN       ASN  80  -4.844   4.286   4.286
  533    HA   ASN  80           HA       ASN  80  -7.169   3.769   3.769
  534   1HB   ASN  80           HB2      ASN  80  -7.544   5.439   5.439
  535   2HB   ASN  80           HB1      ASN  80  -8.624   5.233   5.233
  536   1HD2  ASN  80          HD22      ASN  80  -5.898   8.200   8.200
  537   2HD2  ASN  80          HD21      ASN  80  -6.136   7.234   7.234
  538    H    LEU  81           HN       LEU  81  -7.653   1.730   1.730
  539    HA   LEU  81           HA       LEU  81  -7.765   1.053   1.053
  540   1HB   LEU  81           HB2      LEU  81  -5.669   0.096   0.096
  541   2HB   LEU  81           HB1      LEU  81  -6.417  -0.539  -0.539
  542    HG   LEU  81           HG       LEU  81  -5.945  -2.058  -2.058
  543   1HD1  LEU  81          HD13      LEU  81  -7.596  -2.157  -2.157
  544   2HD1  LEU  81          HD12      LEU  81  -8.465  -2.931  -2.931
  545   3HD1  LEU  81          HD11      LEU  81  -6.854  -3.493  -3.493
  546   1HD2  LEU  81          HD21      LEU  81  -7.826  -0.389  -0.389
  547   2HD2  LEU  81          HD23      LEU  81  -7.512  -2.030  -2.030
  548   3HD2  LEU  81          HD22      LEU  81  -8.826  -1.715  -1.715
  549    H    THR  82           HN       THR  82  -9.796   0.330   0.330
  550    HA   THR  82           HA       THR  82 -11.196  -1.069  -1.069
  551    HB   THR  82           HB       THR  82 -13.264   0.229   0.229
  552    HG1  THR  82           HG1      THR  82 -11.421   1.126   1.126
  553   1HG2  THR  82          HG22      THR  82 -11.072   1.013   1.013
  554   2HG2  THR  82          HG21      THR  82 -12.084   2.355   2.355
  555   3HG2  THR  82          HG23      THR  82 -12.811   0.981   0.981
  556    H    LEU  83           HN       LEU  83 -12.312  -2.848  -2.848
  557    HA   LEU  83           HA       LEU  83 -13.191  -3.219  -3.219
  558   1HB   LEU  83           HB2      LEU  83 -10.951  -4.375  -4.375
  559   2HB   LEU  83           HB1      LEU  83 -11.758  -5.442  -5.442
  560    HG   LEU  83           HG       LEU  83 -11.558  -6.259  -6.259
  561   1HD1  LEU  83          HD13      LEU  83 -13.116  -7.123  -7.123
  562   2HD1  LEU  83          HD12      LEU  83 -14.382  -6.171  -6.171
  563   3HD1  LEU  83          HD11      LEU  83 -13.591  -7.474  -7.474
  564   1HD2  LEU  83          HD23      LEU  83 -12.413  -3.942  -3.942
  565   2HD2  LEU  83          HD22      LEU  83 -13.094  -5.372  -5.372
  566   3HD2  LEU  83          HD21      LEU  83 -14.013  -4.518  -4.518
  567    H    ASP  84           HN       ASP  84 -15.215  -2.694  -2.694
  568    HA   ASP  84           HA       ASP  84 -17.174  -4.413  -4.413
  569   1HB   ASP  84           HB2      ASP  84 -15.397  -5.024  -5.024
  570   2HB   ASP  84           HB1      ASP  84 -17.143  -5.199  -5.199
  571    H    GLY  85           HN       GLY  85 -15.465  -1.926  -1.926
  572   1HA   GLY  85           HA2      GLY  85 -16.977   0.151   0.151
  573   2HA   GLY  85           HA1      GLY  85 -18.015  -0.910  -0.910
  574    H    ASP  86           HN       ASP  86 -14.812  -1.821  -1.821
  575    HA   ASP  86           HA       ASP  86 -14.556   0.096   0.096
  576   1HB   ASP  86           HB2      ASP  86 -15.059  -2.735  -2.735
  577   2HB   ASP  86           HB1      ASP  86 -13.450  -2.403  -2.403
  578    H    ASN  87           HN       ASN  87 -12.159  -0.241  -0.241
  579    HA   ASN  87           HA       ASN  87 -10.403  -0.277  -0.277
  580   1HB   ASN  87           HB2      ASN  87  -9.818   0.808   0.808
  581   2HB   ASN  87           HB1      ASN  87  -8.825   1.027   1.027
  582   1HD2  ASN  87          HD22      ASN  87 -12.211   3.273   3.273
  583   2HD2  ASN  87          HD21      ASN  87 -11.921   1.944   1.944
  584    H    VAL  88           HN       VAL  88  -8.410  -1.512  -1.512
  585    HA   VAL  88           HA       VAL  88  -8.671  -3.987  -3.987
  586    HB   VAL  88           HB       VAL  88  -6.575  -2.769  -2.769
  587   1HG1  VAL  88          HG13      VAL  88  -5.326  -3.784  -3.784
  588   2HG1  VAL  88          HG12      VAL  88  -6.136  -5.314  -5.314
  589   3HG1  VAL  88          HG11      VAL  88  -5.038  -4.618  -4.618
  590   1HG2  VAL  88          HG22      VAL  88  -8.032  -5.430  -5.430
  591   2HG2  VAL  88          HG21      VAL  88  -8.473  -4.049  -4.049
  592   3HG2  VAL  88          HG23      VAL  88  -6.954  -4.897  -4.897
  593    H    ASN  89           HN       ASN  89  -6.760  -4.775  -4.775
  594    HA   ASN  89           HA       ASN  89  -6.694  -2.893  -2.893
  595   1HB   ASN  89           HB2      ASN  89  -6.319  -5.728  -5.728
  596   2HB   ASN  89           HB1      ASN  89  -5.008  -5.066  -5.066
  597   1HD2  ASN  89          HD22      ASN  89  -8.790  -5.205  -5.205
  598   2HD2  ASN  89          HD21      ASN  89  -8.488  -5.643  -5.643
  599    H    GLY  90           HN       GLY  90  -5.042  -2.315  -2.315
  600   1HA   GLY  90           HA2      GLY  90  -2.598  -1.561  -1.561
  601   2HA   GLY  90           HA1      GLY  90  -2.372  -2.502  -2.502
  602    H    PHE  91           HN       PHE  91  -5.075  -0.417  -0.417
  603    HA   PHE  91           HA       PHE  91  -3.592   1.473   1.473
  604   1HB   PHE  91           HB2      PHE  91  -6.166   0.084   0.084
  605   2HB   PHE  91           HB1      PHE  91  -6.136   1.769   1.769
  606    HD1  PHE  91           HD2      PHE  91  -4.587  -1.556  -1.556
  607    HD2  PHE  91           HD1      PHE  91  -4.782   2.457   2.457
  608    HE1  PHE  91           HE2      PHE  91  -3.277  -2.204  -2.204
  609    HE2  PHE  91           HE1      PHE  91  -3.474   1.839   1.839
  610    HZ   PHE  91           HZ       PHE  91  -2.726  -0.513  -0.513
  611    HA   PRO  92           HA       PRO  92  -6.510   4.288   4.288
  612   1HB   PRO  92           HB2      PRO  92  -7.428   3.386   3.386
  613   2HB   PRO  92           HB1      PRO  92  -8.358   3.274   3.274
  614   1HG   PRO  92           HG2      PRO  92  -6.928   1.125   1.125
  615   2HG   PRO  92           HG1      PRO  92  -8.321   1.003   1.003
  616   1HD   PRO  92           HD2      PRO  92  -5.653   0.370   0.370
  617   2HD   PRO  92           HD1      PRO  92  -6.977   0.575   0.575
  618    H    LYS  93           HN       LYS  93  -3.776   2.808   2.808
  619    HA   LYS  93           HA       LYS  93  -2.997   4.124   4.124
  620   1HB   LYS  93           HB2      LYS  93  -2.475   1.635   1.635
  621   2HB   LYS  93           HB1      LYS  93  -1.258   2.320   2.320
  622   1HG   LYS  93           HG2      LYS  93   0.121   2.817   2.817
  623   2HG   LYS  93           HG1      LYS  93  -1.191   3.544   3.544
  624   1HD   LYS  93           HD2      LYS  93  -1.633   1.609   1.609
  625   2HD   LYS  93           HD1      LYS  93  -1.270   0.588   0.588
  626   1HE   LYS  93           HE2      LYS  93   1.094   2.004   2.004
  627   2HE   LYS  93           HE1      LYS  93   0.379   0.981   0.981
  628   1HZ   LYS  93           HZ3      LYS  93   0.283  -0.540  -0.540
  629   2HZ   LYS  93           HZ2      LYS  93   1.790   0.238   0.238
  630   3HZ   LYS  93           HZ1      LYS  93   1.407  -0.697  -0.697
  631    H    THR  94           HN       THR  94  -0.745   5.083   5.083
  632    HA   THR  94           HA       THR  94  -0.414   6.502   6.502
  633    HB   THR  94           HB       THR  94  -0.009   7.676   7.676
  634    HG1  THR  94           HG1      THR  94  -2.236   7.180   7.180
  635   1HG2  THR  94          HG21      THR  94   1.055   8.412   8.412
  636   2HG2  THR  94          HG23      THR  94  -0.369   9.442   9.442
  637   3HG2  THR  94          HG22      THR  94   0.865   9.471   9.471
  638    H    VAL  95           HN       VAL  95   1.579   6.354   6.354
  639    HA   VAL  95           HA       VAL  95   3.652   5.216   5.216
  640    HB   VAL  95           HB       VAL  95   3.305   5.235   5.235
  641   1HG1  VAL  95          HG12      VAL  95   5.649   6.060   6.060
  642   2HG1  VAL  95          HG11      VAL  95   5.899   4.488   4.488
  643   3HG1  VAL  95          HG13      VAL  95   5.563   4.589   4.589
  644   1HG2  VAL  95          HG23      VAL  95   2.959   3.389   3.389
  645   2HG2  VAL  95          HG22      VAL  95   2.990   3.033   3.033
  646   3HG2  VAL  95          HG21      VAL  95   4.470   2.912   2.912
  647    H    THR  96           HN       THR  96   5.819   6.268   6.268
  648    HA   THR  96           HA       THR  96   5.534   9.166   9.166
  649    HB   THR  96           HB       THR  96   6.917   7.905   7.905
  650    HG1  THR  96           HG1      THR  96   4.864   7.988   7.988
  651   1HG2  THR  96          HG22      THR  96   7.244  10.476  10.476
  652   2HG2  THR  96          HG21      THR  96   6.616  10.678  10.678
  653   3HG2  THR  96          HG23      THR  96   8.124   9.801   9.801
  654    H    VAL  97           HN       VAL  97   7.172  10.249  10.249
  655    HA   VAL  97           HA       VAL  97   9.787   8.894   8.894
  656    HB   VAL  97           HB       VAL  97   7.993  10.216  10.216
  657   1HG1  VAL  97          HG12      VAL  97  11.018  10.170  10.170
  658   2HG1  VAL  97          HG11      VAL  97  10.030  10.412  10.412
  659   3HG1  VAL  97          HG13      VAL  97   9.974  11.588  11.588
  660   1HG2  VAL  97          HG23      VAL  97   9.571   7.727   7.727
  661   2HG2  VAL  97          HG22      VAL  97   8.022   7.961   7.961
  662   3HG2  VAL  97          HG21      VAL  97   9.515   8.390   8.390
  663    H    LYS  98           HN       LYS  98  11.547  10.292  10.292
  664    HA   LYS  98           HA       LYS  98  10.878  12.852  12.852
  665   1HB   LYS  98           HB2      LYS  98  13.710  11.989  11.989
  666   2HB   LYS  98           HB1      LYS  98  12.819  12.570  12.570
  667   1HG   LYS  98           HG2      LYS  98  12.941  10.396  10.396
  668   2HG   LYS  98           HG1      LYS  98  11.573  10.183  10.183
  669   1HD   LYS  98           HD2      LYS  98  13.147   8.506   8.506
  670   2HD   LYS  98           HD1      LYS  98  13.309   9.772   9.772
  671   1HE   LYS  98           HE2      LYS  98  15.536   9.159   9.159
  672   2HE   LYS  98           HE1      LYS  98  15.192  10.736  10.736
  673   1HZ   LYS  98           HZ1      LYS  98  14.791   8.162   8.162
  674   2HZ   LYS  98           HZ3      LYS  98  16.198   9.102   9.102
  675   3HZ   LYS  98           HZ2      LYS  98  14.708   9.727   9.727
  676    HA   PRO  99           HA       PRO  99  12.488  15.496  15.496
  677   1HB   PRO  99           HB2      PRO  99  14.756  16.749  16.749
  678   2HB   PRO  99           HB1      PRO  99  13.107  17.161  17.161
  679   1HG   PRO  99           HG2      PRO  99  15.192  15.637  15.637
  680   2HG   PRO  99           HG1      PRO  99  13.854  16.616  16.616
  681   1HD   PRO  99           HD2      PRO  99  13.904  13.821  13.821
  682   2HD   PRO  99           HD1      PRO  99  12.441  14.805  14.805
  683    H    ALA 100           HN       ALA 100  12.975  13.848  13.848
  684    HA   ALA 100           HA       ALA 100  15.100  12.201  12.201
  685   1HB   ALA 100           HB2      ALA 100  13.195  13.518  13.518
  686   2HB   ALA 100           HB1      ALA 100  14.760  13.500  13.500
  687   3HB   ALA 100           HB3      ALA 100  14.029  11.989  11.989

  Start of MODEL   19
    1   1H    ALA   1           HT2      ALA   1 -17.533 -11.261 -11.261
    2   2H    ALA   1           HT1      ALA   1 -18.187  -9.799  -9.799
    3   3H    ALA   1           HT3      ALA   1 -18.966 -10.652 -10.652
    4    HA   ALA   1           HA       ALA   1 -17.247 -10.195 -10.195
    5   1HB   ALA   1           HB1      ALA   1 -17.844  -7.726  -7.726
    6   2HB   ALA   1           HB3      ALA   1 -17.267  -7.730  -7.730
    7   3HB   ALA   1           HB2      ALA   1 -18.865  -8.372  -8.372
    8    H    ASP   2           HN       ASP   2 -15.614 -11.457 -11.457
    9    HA   ASP   2           HA       ASP   2 -13.447 -11.522 -11.522
   10   1HB   ASP   2           HB2      ASP   2 -12.906 -10.819 -10.819
   11   2HB   ASP   2           HB1      ASP   2 -13.244  -9.145  -9.145
   12    HA   PRO   3           HA       PRO   3 -14.276  -7.757  -7.757
   13   1HB   PRO   3           HB2      PRO   3 -15.841  -8.892  -8.892
   14   2HB   PRO   3           HB1      PRO   3 -16.518  -8.089  -8.089
   15   1HG   PRO   3           HG2      PRO   3 -16.343 -11.004 -11.004
   16   2HG   PRO   3           HG1      PRO   3 -17.506 -10.137 -10.137
   17   1HD   PRO   3           HD2      PRO   3 -15.288 -11.636 -11.636
   18   2HD   PRO   3           HD1      PRO   3 -16.272 -10.507 -10.507
   19    H    GLU   4           HN       GLU   4 -12.953 -10.779 -10.779
   20    HA   GLU   4           HA       GLU   4 -11.524 -10.342 -10.342
   21   1HB   GLU   4           HB2      GLU   4 -13.486 -12.297 -12.297
   22   2HB   GLU   4           HB1      GLU   4 -11.929 -13.126 -13.126
   23   1HG   GLU   4           HG2      GLU   4 -11.640 -12.675 -12.675
   24   2HG   GLU   4           HG1      GLU   4 -12.431 -11.102 -11.102
   25    H    LYS   5           HN       LYS   5 -11.095 -10.695 -10.695
   26    HA   LYS   5           HA       LYS   5  -8.422 -11.893 -11.893
   27   1HB   LYS   5           HB2      LYS   5 -10.401 -12.788 -12.788
   28   2HB   LYS   5           HB1      LYS   5  -8.688 -13.214 -13.214
   29   1HG   LYS   5           HG2      LYS   5  -9.766 -13.738 -13.738
   30   2HG   LYS   5           HG1      LYS   5 -10.791 -14.512 -14.512
   31   1HD   LYS   5           HD2      LYS   5  -8.898 -15.968 -15.968
   32   2HD   LYS   5           HD1      LYS   5  -8.871 -15.643 -15.643
   33   1HE   LYS   5           HE2      LYS   5  -6.731 -14.977 -14.977
   34   2HE   LYS   5           HE1      LYS   5  -7.419 -13.530 -13.530
   35   1HZ   LYS   5           HZ3      LYS   5  -6.737 -16.035 -16.035
   36   2HZ   LYS   5           HZ2      LYS   5  -5.806 -14.614 -14.614
   37   3HZ   LYS   5           HZ1      LYS   5  -7.357 -14.620 -14.620
   38    H    SER   6           HN       SER   6  -9.126  -9.209  -9.209
   39    HA   SER   6           HA       SER   6  -8.174  -8.618  -8.618
   40   1HB   SER   6           HB2      SER   6  -9.430  -6.574  -6.574
   41   2HB   SER   6           HB1      SER   6  -9.347  -6.589  -6.589
   42    HG   SER   6           HG       SER   6 -11.347  -7.342  -7.342
   43    H    TYR   7           HN       TYR   7  -6.002  -8.209  -8.209
   44    HA   TYR   7           HA       TYR   7  -5.041  -6.474  -6.474
   45   1HB   TYR   7           HB2      TYR   7  -2.854  -7.979  -7.979
   46   2HB   TYR   7           HB1      TYR   7  -4.142  -8.438  -8.438
   47    HD1  TYR   7           HD2      TYR   7  -2.660  -9.060  -9.060
   48    HD2  TYR   7           HD1      TYR   7  -5.635 -10.281 -10.281
   49    HE1  TYR   7           HE2      TYR   7  -3.042 -11.142 -11.142
   50    HE2  TYR   7           HE1      TYR   7  -6.018 -12.363 -12.363
   51    HH   TYR   7           HH       TYR   7  -4.024 -13.629 -13.629
   52    H    ALA   8           HN       ALA   8  -3.474  -4.993  -4.993
   53    HA   ALA   8           HA       ALA   8  -2.606  -4.896  -4.896
   54   1HB   ALA   8           HB1      ALA   8  -3.980  -2.935  -2.935
   55   2HB   ALA   8           HB3      ALA   8  -2.356  -2.337  -2.337
   56   3HB   ALA   8           HB2      ALA   8  -3.423  -2.797  -2.797
   57    H    GLU   9           HN       GLU   9  -0.421  -5.328  -5.328
   58    HA   GLU   9           HA       GLU   9   1.282  -4.183  -4.183
   59   1HB   GLU   9           HB2      GLU   9   1.640  -7.000  -7.000
   60   2HB   GLU   9           HB1      GLU   9   2.481  -6.244  -6.244
   61   1HG   GLU   9           HG2      GLU   9  -0.522  -6.616  -6.616
   62   2HG   GLU   9           HG1      GLU   9   0.575  -7.824  -7.824
   63    H    GLY  10           HN       GLY  10   3.291  -3.503  -3.503
   64   1HA   GLY  10           HA2      GLY  10   4.357  -4.278  -4.278
   65   2HA   GLY  10           HA1      GLY  10   3.731  -2.635  -2.635
   66    HA   PRO  11           HA       PRO  11   8.047  -2.619  -2.619
   67   1HB   PRO  11           HB2      PRO  11   9.315  -1.541  -1.541
   68   2HB   PRO  11           HB1      PRO  11   9.179  -3.286  -3.286
   69   1HG   PRO  11           HG2      PRO  11   7.711  -1.581  -1.581
   70   2HG   PRO  11           HG1      PRO  11   8.080  -3.312  -3.312
   71   1HD   PRO  11           HD2      PRO  11   5.585  -2.165  -2.165
   72   2HD   PRO  11           HD1      PRO  11   6.057  -3.865  -3.865
   73    H    GLY  12           HN       GLY  12   5.579  -0.707  -0.707
   74   1HA   GLY  12           HA2      GLY  12   6.976   1.855   1.855
   75   2HA   GLY  12           HA1      GLY  12   5.549   1.730   1.730
   76    H    LEU  13           HN       LEU  13   5.715   3.343   3.343
   77    HA   LEU  13           HA       LEU  13   4.010   3.889   3.889
   78   1HB   LEU  13           HB2      LEU  13   2.130   2.690   2.690
   79   2HB   LEU  13           HB1      LEU  13   2.829   1.782   1.782
   80    HG   LEU  13           HG       LEU  13   3.770   0.642   0.642
   81   1HD1  LEU  13          HD13      LEU  13   1.758   1.785   1.785
   82   2HD1  LEU  13          HD12      LEU  13   0.770   0.858   0.858
   83   3HD1  LEU  13          HD11      LEU  13   1.702   0.026   0.026
   84   1HD2  LEU  13          HD23      LEU  13   2.462  -0.136  -0.136
   85   2HD2  LEU  13          HD22      LEU  13   3.569  -1.060  -1.060
   86   3HD2  LEU  13          HD21      LEU  13   1.843  -1.045  -1.045
   87    H    ASP  14           HN       ASP  14   6.501   1.716   1.716
   88    HA   ASP  14           HA       ASP  14   6.313   0.974   0.974
   89   1HB   ASP  14           HB2      ASP  14   8.913   1.492   1.492
   90   2HB   ASP  14           HB1      ASP  14   8.532   0.249   0.249
   91    H    GLY  15           HN       GLY  15   7.039   3.826   3.826
   92   1HA   GLY  15           HA2      GLY  15   7.294   6.021   6.021
   93   2HA   GLY  15           HA1      GLY  15   7.415   5.325   5.325
   94    H    GLY  16           HN       GLY  16   9.283   5.820   5.820
   95   1HA   GLY  16           HA2      GLY  16  11.598   6.055   6.055
   96   2HA   GLY  16           HA1      GLY  16  11.778   4.916   4.916
   97    H    GLU  17           HN       GLU  17  11.110   6.116   6.116
   98    HA   GLU  17           HA       GLU  17  12.460   8.777   8.777
   99   1HB   GLU  17           HB2      GLU  17  12.997   6.446   6.446
  100   2HB   GLU  17           HB1      GLU  17  13.418   8.077   8.077
  101   1HG   GLU  17           HG2      GLU  17  14.853   8.353   8.353
  102   2HG   GLU  17           HG1      GLU  17  14.298   6.830   6.830
  103    H    CYS  18           HN       CYS  18  11.671  10.304  10.304
  104    HA   CYS  18           HA       CYS  18   9.107   9.819   9.819
  105   1HB   CYS  18           HB2      CYS  18  10.619  12.271  12.271
  106   2HB   CYS  18           HB1      CYS  18   9.507  12.401  12.401
  107    HG   CYS  18           HG       CYS  18   7.899  11.070  11.070
  108    H    PHE  19           HN       PHE  19  12.452  10.185  10.185
  109    HA   PHE  19           HA       PHE  19  11.932  10.981  10.981
  110   1HB   PHE  19           HB2      PHE  19  14.435  10.491  10.491
  111   2HB   PHE  19           HB1      PHE  19  14.485  10.728  10.728
  112    HD1  PHE  19           HD1      PHE  19  13.323  12.761  12.761
  113    HD2  PHE  19           HD2      PHE  19  14.175  12.339  12.339
  114    HE1  PHE  19           HE1      PHE  19  12.973  15.193  15.193
  115    HE2  PHE  19           HE2      PHE  19  13.833  14.776  14.776
  116    HZ   PHE  19           HZ       PHE  19  13.222  16.175  16.175
  117    H    GLN  20           HN       GLN  20  11.475   8.181   8.181
  118    HA   GLN  20           HA       GLN  20  12.743   6.552   6.552
  119   1HB   GLN  20           HB2      GLN  20  11.886   6.032   6.032
  120   2HB   GLN  20           HB1      GLN  20  11.385   4.784   4.784
  121   1HG   GLN  20           HG2      GLN  20  13.998   5.335   5.335
  122   2HG   GLN  20           HG1      GLN  20  14.062   5.416   5.416
  123   1HE2  GLN  20          HE22      GLN  20  14.570   1.849   1.849
  124   2HE2  GLN  20          HE21      GLN  20  15.428   3.301   3.301
  125    HA   PRO  21           HA       PRO  21   8.921   6.307   6.307
  126   1HB   PRO  21           HB2      PRO  21   9.047   3.741   3.741
  127   2HB   PRO  21           HB1      PRO  21   9.961   5.105   5.105
  128   1HG   PRO  21           HG2      PRO  21  10.917   2.850   2.850
  129   2HG   PRO  21           HG1      PRO  21  11.801   3.788   3.788
  130   1HD   PRO  21           HD2      PRO  21  12.013   4.154   4.154
  131   2HD   PRO  21           HD1      PRO  21  12.497   5.346   5.346
  132    H    SER  22           HN       SER  22   6.879   6.036   6.036
  133    HA   SER  22           HA       SER  22   6.588   3.831   3.831
  134   1HB   SER  22           HB2      SER  22   6.003   6.506   6.506
  135   2HB   SER  22           HB1      SER  22   4.445   5.782   5.782
  136    HG   SER  22           HG       SER  22   4.886   4.316   4.316
  137    H    LYS  23           HN       LYS  23   5.770   2.032   2.032
  138    HA   LYS  23           HA       LYS  23   3.235   2.340   2.340
  139   1HB   LYS  23           HB2      LYS  23   5.475   0.703   0.703
  140   2HB   LYS  23           HB1      LYS  23   3.964   1.179   1.179
  141   1HG   LYS  23           HG2      LYS  23   5.318   2.757   2.757
  142   2HG   LYS  23           HG1      LYS  23   4.951   3.621   3.621
  143   1HD   LYS  23           HD2      LYS  23   7.218   3.747   3.747
  144   2HD   LYS  23           HD1      LYS  23   7.046   2.124   2.124
  145   1HE   LYS  23           HE2      LYS  23   7.044   1.928   1.928
  146   2HE   LYS  23           HE1      LYS  23   8.432   2.901   2.901
  147   1HZ   LYS  23           HZ1      LYS  23   8.194   0.747   0.747
  148   2HZ   LYS  23           HZ3      LYS  23   8.105   0.128   0.128
  149   3HZ   LYS  23           HZ2      LYS  23   9.443   1.065   1.065
  150    H    PHE  24           HN       PHE  24   1.906   0.602   0.602
  151    HA   PHE  24           HA       PHE  24   3.066  -1.925  -1.925
  152   1HB   PHE  24           HB2      PHE  24   0.631  -1.525  -1.525
  153   2HB   PHE  24           HB1      PHE  24   2.256  -1.722  -1.722
  154    HD1  PHE  24           HD1      PHE  24   3.783   0.422   0.422
  155    HD2  PHE  24           HD2      PHE  24  -0.500   0.438   0.438
  156    HE1  PHE  24           HE1      PHE  24   3.835   2.802   2.802
  157    HE2  PHE  24           HE2      PHE  24  -0.451   2.829   2.829
  158    HZ   PHE  24           HZ       PHE  24   1.728   3.998   3.998
  159    H    LYS  25           HN       LYS  25   1.578  -3.742  -3.742
  160    HA   LYS  25           HA       LYS  25  -0.494  -3.226  -3.226
  161   1HB   LYS  25           HB2      LYS  25   0.943  -5.846  -5.846
  162   2HB   LYS  25           HB1      LYS  25  -0.038  -5.410  -5.410
  163   1HG   LYS  25           HG2      LYS  25   2.015  -4.969  -4.969
  164   2HG   LYS  25           HG1      LYS  25   1.781  -3.420  -3.420
  165   1HD   LYS  25           HD2      LYS  25   3.260  -3.935  -3.935
  166   2HD   LYS  25           HD1      LYS  25   3.001  -5.673  -5.673
  167   1HE   LYS  25           HE2      LYS  25   4.087  -5.279  -5.279
  168   2HE   LYS  25           HE1      LYS  25   4.785  -3.868  -3.868
  169   1HZ   LYS  25           HZ2      LYS  25   4.906  -6.373  -6.373
  170   2HZ   LYS  25           HZ1      LYS  25   5.887  -6.275  -6.275
  171   3HZ   LYS  25           HZ3      LYS  25   6.061  -5.136  -5.136
  172    H    ILE  26           HN       ILE  26  -2.544  -4.081  -4.081
  173    HA   ILE  26           HA       ILE  26  -2.889  -5.267  -5.267
  174    HB   ILE  26           HB       ILE  26  -5.088  -3.968  -3.968
  175   1HG1  ILE  26          HG12      ILE  26  -2.880  -2.660  -2.660
  176   2HG1  ILE  26          HG11      ILE  26  -3.413  -2.273  -2.273
  177   1HG2  ILE  26          HG21      ILE  26  -4.503  -4.274  -4.274
  178   2HG2  ILE  26          HG23      ILE  26  -5.944  -3.525  -3.525
  179   3HG2  ILE  26          HG22      ILE  26  -5.642  -5.246  -5.246
  180   1HD1  ILE  26          HD12      ILE  26  -5.152  -1.951  -1.951
  181   2HD1  ILE  26          HD11      ILE  26  -4.223  -0.641  -0.641
  182   3HD1  ILE  26          HD13      ILE  26  -5.520  -1.417  -1.417
  183    H    HIS  27           HN       HIS  27  -4.486  -6.898  -6.898
  184    HA   HIS  27           HA       HIS  27  -5.467  -8.208  -8.208
  185   1HB   HIS  27           HB2      HIS  27  -4.169  -9.892  -9.892
  186   2HB   HIS  27           HB1      HIS  27  -4.490 -10.292 -10.292
  187    HD1  HIS  27           HD1      HIS  27  -2.377  -7.802  -7.802
  188    HD2  HIS  27           HD2      HIS  27  -2.276  -9.929  -9.929
  189    HE1  HIS  27           HE1      HIS  27  -0.143  -7.301  -7.301
  190    H    ALA  28           HN       ALA  28  -7.592  -8.381  -8.381
  191    HA   ALA  28           HA       ALA  28  -8.646  -8.754  -8.754
  192   1HB   ALA  28           HB2      ALA  28  -9.449  -7.158  -7.158
  193   2HB   ALA  28           HB1      ALA  28 -10.576  -8.511  -8.511
  194   3HB   ALA  28           HB3      ALA  28 -10.440  -7.566  -7.566
  195    H    VAL  29           HN       VAL  29  -9.614 -10.719 -10.719
  196    HA   VAL  29           HA       VAL  29 -10.047 -12.721 -12.721
  197    HB   VAL  29           HB       VAL  29  -8.833 -13.033 -13.033
  198   1HG1  VAL  29          HG13      VAL  29 -10.734 -14.898 -14.898
  199   2HG1  VAL  29          HG12      VAL  29  -9.247 -15.623 -15.623
  200   3HG1  VAL  29          HG11      VAL  29 -10.317 -14.748 -14.748
  201   1HG2  VAL  29          HG23      VAL  29  -7.629 -12.903 -12.903
  202   2HG2  VAL  29          HG22      VAL  29  -7.150 -14.175 -14.175
  203   3HG2  VAL  29          HG21      VAL  29  -8.225 -14.548 -14.548
  204    H    ASP  30           HN       ASP  30 -12.118 -13.121 -13.121
  205    HA   ASP  30           HA       ASP  30 -14.055 -12.442 -12.442
  206   1HB   ASP  30           HB2      ASP  30 -15.598 -12.225 -12.225
  207   2HB   ASP  30           HB1      ASP  30 -14.126 -11.944 -11.944
  208    HA   PRO  31           HA       PRO  31 -15.074 -16.594 -16.594
  209   1HB   PRO  31           HB2      PRO  31 -17.790 -16.808 -16.808
  210   2HB   PRO  31           HB1      PRO  31 -17.033 -15.894 -15.894
  211   1HG   PRO  31           HG2      PRO  31 -18.398 -14.879 -14.879
  212   2HG   PRO  31           HG1      PRO  31 -18.143 -14.076 -14.076
  213   1HD   PRO  31           HD2      PRO  31 -16.663 -13.649 -13.649
  214   2HD   PRO  31           HD1      PRO  31 -16.268 -13.015 -13.015
  215    H    ASP  32           HN       ASP  32 -14.722 -16.025 -16.025
  216    HA   ASP  32           HA       ASP  32 -15.993 -18.619 -18.619
  217   1HB   ASP  32           HB2      ASP  32 -15.771 -15.992 -15.992
  218   2HB   ASP  32           HB1      ASP  32 -15.394 -17.379 -17.379
  219    H    GLY  33           HN       GLY  33 -13.140 -17.454 -17.454
  220   1HA   GLY  33           HA2      GLY  33 -10.958 -18.341 -18.341
  221   2HA   GLY  33           HA1      GLY  33 -11.596 -19.505 -19.505
  222    H    VAL  34           HN       VAL  34 -12.070 -16.042 -16.042
  223    HA   VAL  34           HA       VAL  34 -10.171 -15.731 -15.731
  224    HB   VAL  34           HB       VAL  34 -12.963 -14.736 -14.736
  225   1HG1  VAL  34          HG11      VAL  34 -10.543 -15.013 -15.013
  226   2HG1  VAL  34          HG13      VAL  34 -11.749 -16.055 -16.055
  227   3HG1  VAL  34          HG12      VAL  34 -12.078 -14.336 -14.336
  228   1HG2  VAL  34          HG22      VAL  34 -13.262 -17.086 -17.086
  229   2HG2  VAL  34          HG21      VAL  34 -13.661 -16.889 -16.889
  230   3HG2  VAL  34          HG23      VAL  34 -12.123 -17.615 -17.615
  231    H    HIS  35           HN       HIS  35 -10.999 -13.245 -13.245
  232    HA   HIS  35           HA       HIS  35 -10.602 -11.623 -11.623
  233   1HB   HIS  35           HB2      HIS  35 -10.065 -11.144 -11.144
  234   2HB   HIS  35           HB1      HIS  35 -10.101  -9.811  -9.811
  235    HD1  HIS  35           HD1      HIS  35  -8.184 -12.952 -12.952
  236    HD2  HIS  35           HD2      HIS  35  -7.905  -9.704  -9.704
  237    HE1  HIS  35           HE1      HIS  35  -5.855 -13.034 -13.034
  238    H    ARG  36           HN       ARG  36 -13.120 -12.446 -12.446
  239    HA   ARG  36           HA       ARG  36 -15.352 -11.777 -11.777
  240   1HB   ARG  36           HB2      ARG  36 -13.737  -9.338  -9.338
  241   2HB   ARG  36           HB1      ARG  36 -15.329  -9.054  -9.054
  242   1HG   ARG  36           HG2      ARG  36 -16.104 -10.709 -10.709
  243   2HG   ARG  36           HG1      ARG  36 -14.623 -10.142 -10.142
  244   1HD   ARG  36           HD2      ARG  36 -15.818  -8.350  -8.350
  245   2HD   ARG  36           HD1      ARG  36 -15.779  -7.810  -7.810
  246    HE   ARG  36           HE       ARG  36 -18.008  -9.462  -9.462
  247   1HH1  ARG  36          HH11      ARG  36 -19.206  -9.596  -9.596
  248   2HH1  ARG  36          HH12      ARG  36 -19.634  -8.034  -8.034
  249   1HH2  ARG  36          HH21      ARG  36 -17.475  -6.323  -6.323
  250   2HH2  ARG  36          HH22      ARG  36 -18.655  -6.181  -6.181
  251    H    THR  37           HN       THR  37 -14.694 -12.882 -12.882
  252    HA   THR  37           HA       THR  37 -14.966 -12.821 -12.821
  253    HB   THR  37           HB       THR  37 -17.080 -10.739 -10.739
  254    HG1  THR  37           HG1      THR  37 -17.167 -12.564 -12.564
  255   1HG2  THR  37          HG22      THR  37 -16.328 -11.739 -11.739
  256   2HG2  THR  37          HG21      THR  37 -17.423 -13.030 -13.030
  257   3HG2  THR  37          HG23      THR  37 -18.014 -11.372 -11.372
  258    H    ASP  38           HN       ASP  38 -12.940 -11.763 -11.763
  259    HA   ASP  38           HA       ASP  38 -12.108  -9.190  -9.190
  260   1HB   ASP  38           HB2      ASP  38 -11.433 -11.280 -11.280
  261   2HB   ASP  38           HB1      ASP  38 -11.748  -9.907  -9.907
  262    H    GLY  39           HN       GLY  39 -12.324  -7.192  -7.192
  263   1HA   GLY  39           HA2      GLY  39 -13.413  -5.656  -5.656
  264   2HA   GLY  39           HA1      GLY  39 -14.479  -6.953  -6.953
  265    H    GLY  40           HN       GLY  40 -15.188  -7.675  -7.675
  266   1HA   GLY  40           HA2      GLY  40 -16.935  -5.305  -5.305
  267   2HA   GLY  40           HA1      GLY  40 -17.486  -6.965  -6.965
  268    H    ASP  41           HN       ASP  41 -14.600  -5.119  -5.119
  269    HA   ASP  41           HA       ASP  41 -15.228  -6.181  -6.181
  270   1HB   ASP  41           HB2      ASP  41 -12.577  -5.505  -5.505
  271   2HB   ASP  41           HB1      ASP  41 -12.746  -5.634  -5.634
  272    H    GLY  42           HN       GLY  42 -15.942  -4.623  -4.623
  273   1HA   GLY  42           HA2      GLY  42 -15.956  -1.826  -1.826
  274   2HA   GLY  42           HA1      GLY  42 -16.398  -2.468  -2.468
  275    H    PHE  43           HN       PHE  43 -13.469  -2.148  -2.148
  276    HA   PHE  43           HA       PHE  43 -11.852  -1.857  -1.857
  277   1HB   PHE  43           HB2      PHE  43 -11.426  -2.977  -2.977
  278   2HB   PHE  43           HB1      PHE  43 -10.397  -1.545  -1.545
  279    HD1  PHE  43           HD1      PHE  43 -11.364  -4.533  -4.533
  280    HD2  PHE  43           HD2      PHE  43  -8.344  -1.623  -1.623
  281    HE1  PHE  43           HE1      PHE  43  -9.752  -5.754  -5.754
  282    HE2  PHE  43           HE2      PHE  43  -6.733  -2.843  -2.843
  283    HZ   PHE  43           HZ       PHE  43  -7.438  -4.908  -4.908
  284    H    VAL  44           HN       VAL  44 -11.488   0.103   0.103
  285    HA   VAL  44           HA       VAL  44 -10.970   2.348   2.348
  286    HB   VAL  44           HB       VAL  44 -12.986   3.221   3.221
  287   1HG1  VAL  44          HG11      VAL  44 -12.851   1.087   1.087
  288   2HG1  VAL  44          HG13      VAL  44 -13.555   2.553   2.553
  289   3HG1  VAL  44          HG12      VAL  44 -14.258   1.818   1.818
  290   1HG2  VAL  44          HG23      VAL  44 -11.248   4.667   4.667
  291   2HG2  VAL  44          HG22      VAL  44 -12.791   4.706   4.706
  292   3HG2  VAL  44          HG21      VAL  44 -11.454   3.751   3.751
  293    H    VAL  45           HN       VAL  45  -8.871   2.817   2.817
  294    HA   VAL  45           HA       VAL  45  -7.857   2.641   2.641
  295    HB   VAL  45           HB       VAL  45  -6.165   2.432   2.432
  296   1HG1  VAL  45          HG11      VAL  45  -5.214   2.947   2.947
  297   2HG1  VAL  45          HG13      VAL  45  -5.666   1.292   1.292
  298   3HG1  VAL  45          HG12      VAL  45  -4.497   1.591   1.591
  299   1HG2  VAL  45          HG23      VAL  45  -8.110   0.558   0.558
  300   2HG2  VAL  45          HG22      VAL  45  -6.886   0.341   0.341
  301   3HG2  VAL  45          HG21      VAL  45  -6.527  -0.096  -0.096
  302    H    THR  46           HN       THR  46  -6.341   4.278   4.278
  303    HA   THR  46           HA       THR  46  -5.794   6.477   6.477
  304    HB   THR  46           HB       THR  46  -7.008   7.952   7.952
  305    HG1  THR  46           HG1      THR  46  -9.176   6.890   6.890
  306   1HG2  THR  46          HG21      THR  46  -7.318   7.392   7.392
  307   2HG2  THR  46          HG23      THR  46  -8.914   7.546   7.546
  308   3HG2  THR  46          HG22      THR  46  -7.743   8.859   8.859
  309    H    ILE  47           HN       ILE  47  -3.922   7.345   7.345
  310    HA   ILE  47           HA       ILE  47  -3.033   7.141   7.141
  311    HB   ILE  47           HB       ILE  47  -1.525   6.686   6.686
  312   1HG1  ILE  47          HG12      ILE  47  -2.135   5.233   5.233
  313   2HG1  ILE  47          HG11      ILE  47  -1.667   4.603   4.603
  314   1HG2  ILE  47          HG21      ILE  47  -0.328   7.713   7.713
  315   2HG2  ILE  47          HG23      ILE  47   0.605   7.080   7.080
  316   3HG2  ILE  47          HG22      ILE  47  -0.331   8.552   8.552
  317   1HD1  ILE  47          HD13      ILE  47   0.699   5.477   5.477
  318   2HD1  ILE  47          HD12      ILE  47   0.130   5.606   5.606
  319   3HD1  ILE  47          HD11      ILE  47   0.160   4.036   4.036
  320    H    GLU  48           HN       GLU  48  -1.681   8.932   8.932
  321    HA   GLU  48           HA       GLU  48  -1.183  11.120  11.120
  322   1HB   GLU  48           HB2      GLU  48  -2.797  12.650  12.650
  323   2HB   GLU  48           HB1      GLU  48  -3.310  11.968  11.968
  324   1HG   GLU  48           HG2      GLU  48  -4.691  10.439  10.439
  325   2HG   GLU  48           HG1      GLU  48  -3.598  10.174  10.174
  326    H    GLY  49           HN       GLY  49  -0.082  12.832  12.832
  327   1HA   GLY  49           HA2      GLY  49   0.517  12.830  12.830
  328   2HA   GLY  49           HA1      GLY  49   1.876  12.375  12.375
  329    HA   PRO  50           HA       PRO  50   1.651  17.004  17.004
  330   1HB   PRO  50           HB2      PRO  50   4.214  17.378  17.378
  331   2HB   PRO  50           HB1      PRO  50   2.809  17.195  17.195
  332   1HG   PRO  50           HG2      PRO  50   4.967  15.227  15.227
  333   2HG   PRO  50           HG1      PRO  50   3.962  15.376  15.376
  334   1HD   PRO  50           HD2      PRO  50   3.596  13.489  13.489
  335   2HD   PRO  50           HD1      PRO  50   2.418  13.881  13.881
  336    H    ALA  51           HN       ALA  51   1.711  16.222  16.222
  337    HA   ALA  51           HA       ALA  51   4.110  17.379  17.379
  338   1HB   ALA  51           HB2      ALA  51   4.206  14.663  14.663
  339   2HB   ALA  51           HB1      ALA  51   3.634  14.723  14.723
  340   3HB   ALA  51           HB3      ALA  51   5.155  15.501  15.501
  341    HA   PRO  52           HA       PRO  52   1.360  18.104  18.104
  342   1HB   PRO  52           HB2      PRO  52   2.903  17.592  17.592
  343   2HB   PRO  52           HB1      PRO  52   3.116  19.017  19.017
  344   1HG   PRO  52           HG2      PRO  52   4.796  16.559  16.559
  345   2HG   PRO  52           HG1      PRO  52   5.256  18.199  18.199
  346   1HD   PRO  52           HD2      PRO  52   4.773  16.031  16.031
  347   2HD   PRO  52           HD1      PRO  52   4.897  17.741  17.741
  348    H    VAL  53           HN       VAL  53   3.198  15.104  15.104
  349    HA   VAL  53           HA       VAL  53   0.864  13.950  13.950
  350    HB   VAL  53           HB       VAL  53   2.490  11.913  11.913
  351   1HG1  VAL  53          HG11      VAL  53   2.637  14.519  14.519
  352   2HG1  VAL  53          HG13      VAL  53   3.969  13.393  13.393
  353   3HG1  VAL  53          HG12      VAL  53   2.313  12.905  12.905
  354   1HG2  VAL  53          HG21      VAL  53   3.937  12.962  12.962
  355   2HG2  VAL  53          HG23      VAL  53   4.798  12.353  12.353
  356   3HG2  VAL  53          HG22      VAL  53   4.509  14.084  14.084
  357    H    ASP  54           HN       ASP  54  -0.422  14.105  14.105
  358    HA   ASP  54           HA       ASP  54   0.420  12.191  12.191
  359   1HB   ASP  54           HB2      ASP  54  -1.587  14.401  14.401
  360   2HB   ASP  54           HB1      ASP  54  -1.783  13.166  13.166
  361    HA   PRO  55           HA       PRO  55  -3.754  10.139  10.139
  362   1HB   PRO  55           HB2      PRO  55  -5.399  11.288  11.288
  363   2HB   PRO  55           HB1      PRO  55  -5.467  11.675  11.675
  364   1HG   PRO  55           HG2      PRO  55  -4.280  13.268  13.268
  365   2HG   PRO  55           HG1      PRO  55  -5.045  13.832  13.832
  366   1HD   PRO  55           HD2      PRO  55  -2.286  13.746  13.746
  367   2HD   PRO  55           HD1      PRO  55  -3.082  13.776  13.776
  368    H    VAL  56           HN       VAL  56  -2.597   8.484   8.484
  369    HA   VAL  56           HA       VAL  56  -2.696   8.650   8.650
  370    HB   VAL  56           HB       VAL  56  -0.425   7.458   7.458
  371   1HG1  VAL  56          HG11      VAL  56  -0.948   8.197   8.197
  372   2HG1  VAL  56          HG13      VAL  56   0.692   7.946   7.946
  373   3HG1  VAL  56          HG12      VAL  56  -0.481   6.630   6.630
  374   1HG2  VAL  56          HG22      VAL  56  -0.829  10.026  10.026
  375   2HG2  VAL  56          HG21      VAL  56   0.787   9.480   9.480
  376   3HG2  VAL  56          HG23      VAL  56  -0.288  10.148  10.148
  377    H    MET  57           HN       MET  57  -4.410   7.093   7.093
  378    HA   MET  57           HA       MET  57  -3.497   4.371   4.371
  379   1HB   MET  57           HB2      MET  57  -5.541   3.803   3.803
  380   2HB   MET  57           HB1      MET  57  -4.944   5.295   5.295
  381   1HG   MET  57           HG2      MET  57  -7.054   6.060   6.060
  382   2HG   MET  57           HG1      MET  57  -6.461   6.284   6.284
  383   1HE   MET  57           HE1      MET  57  -8.797   6.485   6.485
  384   2HE   MET  57           HE3      MET  57  -9.781   5.162   5.162
  385   3HE   MET  57           HE2      MET  57  -9.850   5.565   5.565
  386    H    VAL  58           HN       VAL  58  -4.063   2.811   2.811
  387    HA   VAL  58           HA       VAL  58  -6.056   3.525   3.525
  388    HB   VAL  58           HB       VAL  58  -3.805   1.903   1.903
  389   1HG1  VAL  58          HG13      VAL  58  -5.246   4.396   4.396
  390   2HG1  VAL  58          HG12      VAL  58  -3.971   3.600   3.600
  391   3HG1  VAL  58          HG11      VAL  58  -5.477   2.748   2.748
  392   1HG2  VAL  58          HG22      VAL  58  -3.345   4.800   4.800
  393   2HG2  VAL  58          HG21      VAL  58  -2.530   3.397   3.397
  394   3HG2  VAL  58          HG23      VAL  58  -2.253   3.836   3.836
  395    H    ASP  59           HN       ASP  59  -6.984   1.622   1.622
  396    HA   ASP  59           HA       ASP  59  -6.777  -0.836  -0.836
  397   1HB   ASP  59           HB2      ASP  59  -9.005   0.033   0.033
  398   2HB   ASP  59           HB1      ASP  59  -9.063   0.321   0.321
  399    H    ASN  60           HN       ASN  60  -6.184  -2.731  -2.731
  400    HA   ASN  60           HA       ASN  60  -5.389  -2.530  -2.530
  401   1HB   ASN  60           HB2      ASN  60  -5.030  -4.721  -4.721
  402   2HB   ASN  60           HB1      ASN  60  -4.430  -4.816  -4.816
  403   1HD2  ASN  60          HD22      ASN  60  -2.159  -1.938  -1.938
  404   2HD2  ASN  60          HD21      ASN  60  -3.401  -2.271  -2.271
  405    H    GLY  61           HN       GLY  61  -8.075  -3.759  -3.759
  406   1HA   GLY  61           HA2      GLY  61 -10.033  -4.732  -4.732
  407   2HA   GLY  61           HA1      GLY  61  -9.335  -4.606  -4.606
  408    H    ASP  62           HN       ASP  62  -7.265  -6.114  -6.114
  409    HA   ASP  62           HA       ASP  62  -8.098  -8.805  -8.805
  410   1HB   ASP  62           HB2      ASP  62  -5.766  -9.450  -9.450
  411   2HB   ASP  62           HB1      ASP  62  -5.928  -7.933  -7.933
  412    H    GLY  63           HN       GLY  63  -9.005  -7.544  -7.544
  413   1HA   GLY  63           HA2      GLY  63  -9.424  -8.311  -8.311
  414   2HA   GLY  63           HA1      GLY  63  -8.367  -9.678  -9.678
  415    H    THR  64           HN       THR  64  -6.514  -7.143  -7.143
  416    HA   THR  64           HA       THR  64  -5.512  -6.723  -6.723
  417    HB   THR  64           HB       THR  64  -3.240  -6.873  -6.873
  418    HG1  THR  64           HG1      THR  64  -3.564  -7.760  -7.760
  419   1HG2  THR  64          HG22      THR  64  -4.724  -8.987  -8.987
  420   2HG2  THR  64          HG21      THR  64  -4.609  -9.197  -9.197
  421   3HG2  THR  64          HG23      THR  64  -3.146  -9.187  -9.187
  422    H    TYR  65           HN       TYR  65  -4.708  -4.620  -4.620
  423    HA   TYR  65           HA       TYR  65  -5.079  -2.652  -2.652
  424   1HB   TYR  65           HB2      TYR  65  -5.705  -2.259  -2.259
  425   2HB   TYR  65           HB1      TYR  65  -5.911  -1.048  -1.048
  426    HD1  TYR  65           HD2      TYR  65  -6.816  -4.606  -4.606
  427    HD2  TYR  65           HD1      TYR  65  -7.983  -0.896  -0.896
  428    HE1  TYR  65           HE2      TYR  65  -9.004  -5.591  -5.591
  429    HE2  TYR  65           HE1      TYR  65 -10.169  -1.881  -1.881
  430    HH   TYR  65           HH       TYR  65 -10.801  -5.252  -5.252
  431    H    ASP  66           HN       ASP  66  -3.687  -0.754  -0.754
  432    HA   ASP  66           HA       ASP  66  -1.278  -1.182  -1.182
  433   1HB   ASP  66           HB2      ASP  66   0.035  -0.214  -0.214
  434   2HB   ASP  66           HB1      ASP  66  -0.620  -1.833  -1.833
  435    H    VAL  67           HN       VAL  67  -0.675   0.601   0.601
  436    HA   VAL  67           HA       VAL  67  -1.762   3.227   3.227
  437    HB   VAL  67           HB       VAL  67  -2.330   3.800   3.800
  438   1HG1  VAL  67          HG13      VAL  67  -3.323   1.407   1.407
  439   2HG1  VAL  67          HG12      VAL  67  -3.141   1.094   1.094
  440   3HG1  VAL  67          HG11      VAL  67  -4.139   2.440   2.440
  441   1HG2  VAL  67          HG22      VAL  67  -0.579   1.488   1.488
  442   2HG2  VAL  67          HG21      VAL  67  -0.499   3.158   3.158
  443   3HG2  VAL  67          HG23      VAL  67  -1.786   2.095   2.095
  444    H    GLU  68           HN       GLU  68  -0.231   5.023   5.023
  445    HA   GLU  68           HA       GLU  68   2.329   4.403   4.403
  446   1HB   GLU  68           HB2      GLU  68   2.321   5.203   5.203
  447   2HB   GLU  68           HB1      GLU  68   3.728   4.818   4.818
  448   1HG   GLU  68           HG2      GLU  68   3.371   2.829   2.829
  449   2HG   GLU  68           HG1      GLU  68   2.565   2.502   2.502
  450    H    PHE  69           HN       PHE  69   3.171   6.171   6.171
  451    HA   PHE  69           HA       PHE  69   2.627   8.824   8.824
  452   1HB   PHE  69           HB2      PHE  69   2.168   9.886   9.886
  453   2HB   PHE  69           HB1      PHE  69   1.044   8.545   8.545
  454    HD1  PHE  69           HD1      PHE  69   2.174   6.190   6.190
  455    HD2  PHE  69           HD2      PHE  69   3.130  10.129  10.129
  456    HE1  PHE  69           HE1      PHE  69   3.019   5.237   5.237
  457    HE2  PHE  69           HE2      PHE  69   3.969   9.170   9.170
  458    HZ   PHE  69           HZ       PHE  69   3.896   6.706   6.706
  459    H    GLU  70           HN       GLU  70   4.371  10.414  10.414
  460    HA   GLU  70           HA       GLU  70   6.752   9.240   9.240
  461   1HB   GLU  70           HB2      GLU  70   7.039   8.550   8.550
  462   2HB   GLU  70           HB1      GLU  70   6.722  10.188  10.188
  463   1HG   GLU  70           HG2      GLU  70   8.776  10.442  10.442
  464   2HG   GLU  70           HG1      GLU  70   9.210   9.041   9.041
  465    HA   PRO  71           HA       PRO  71   6.398  13.672  13.672
  466   1HB   PRO  71           HB2      PRO  71   7.301  13.329  13.329
  467   2HB   PRO  71           HB1      PRO  71   5.611  13.111  13.111
  468   1HG   PRO  71           HG2      PRO  71   7.653  11.041  11.041
  469   2HG   PRO  71           HG1      PRO  71   5.889  10.956  10.956
  470   1HD   PRO  71           HD2      PRO  71   7.471   9.818   9.818
  471   2HD   PRO  71           HD1      PRO  71   5.706  10.014  10.014
  472    H    LYS  72           HN       LYS  72   8.153  15.106  15.106
  473    HA   LYS  72           HA       LYS  72  10.931  14.162  14.162
  474   1HB   LYS  72           HB2      LYS  72  11.047  16.797  16.797
  475   2HB   LYS  72           HB1      LYS  72  10.939  15.438  15.438
  476   1HG   LYS  72           HG2      LYS  72   8.694  15.795  15.795
  477   2HG   LYS  72           HG1      LYS  72   8.391  16.506  16.506
  478   1HD   LYS  72           HD2      LYS  72   8.280  18.212  18.212
  479   2HD   LYS  72           HD1      LYS  72   9.597  18.543  18.543
  480   1HE   LYS  72           HE2      LYS  72  10.964  18.614  18.614
  481   2HE   LYS  72           HE1      LYS  72  10.742  16.868  16.868
  482   1HZ   LYS  72           HZ3      LYS  72   8.560  18.376  18.376
  483   2HZ   LYS  72           HZ2      LYS  72  10.037  18.686  18.686
  484   3HZ   LYS  72           HZ1      LYS  72   9.443  17.097  17.097
  485    H    GLU  73           HN       GLU  73   9.454  14.664  14.664
  486    HA   GLU  73           HA       GLU  73  11.511  16.389  16.389
  487   1HB   GLU  73           HB2      GLU  73   9.938  17.932  17.932
  488   2HB   GLU  73           HB1      GLU  73   9.681  17.957  17.957
  489   1HG   GLU  73           HG2      GLU  73   7.634  16.931  16.931
  490   2HG   GLU  73           HG1      GLU  73   8.093  15.975  15.975
  491    H    ALA  74           HN       ALA  74  10.307  16.658  16.658
  492    HA   ALA  74           HA       ALA  74  10.308  13.846  13.846
  493   1HB   ALA  74           HB1      ALA  74  11.667  15.615  15.615
  494   2HB   ALA  74           HB3      ALA  74  10.153  16.396  16.396
  495   3HB   ALA  74           HB2      ALA  74  10.521  14.776  14.776
  496    H    GLY  75           HN       GLY  75   8.336  12.858  12.858
  497   1HA   GLY  75           HA2      GLY  75   6.009  14.322  14.322
  498   2HA   GLY  75           HA1      GLY  75   5.912  13.902  13.902
  499    H    ASP  76           HN       ASP  76   4.086  12.910  12.910
  500    HA   ASP  76           HA       ASP  76   4.878  10.035  10.035
  501   1HB   ASP  76           HB2      ASP  76   3.029   9.906   9.906
  502   2HB   ASP  76           HB1      ASP  76   4.266  11.067  11.067
  503    H    TYR  77           HN       TYR  77   3.198   8.499   8.499
  504    HA   TYR  77           HA       TYR  77   1.484   9.578   9.578
  505   1HB   TYR  77           HB2      TYR  77   2.241   6.692   6.692
  506   2HB   TYR  77           HB1      TYR  77   1.655   7.485   7.485
  507    HD1  TYR  77           HD2      TYR  77   3.397   9.991   9.991
  508    HD2  TYR  77           HD1      TYR  77   4.232   5.793   5.793
  509    HE1  TYR  77           HE2      TYR  77   5.704  10.411  10.411
  510    HE2  TYR  77           HE1      TYR  77   6.535   6.199   6.199
  511    HH   TYR  77           HH       TYR  77   7.587   8.413   8.413
  512    H    VAL  78           HN       VAL  78  -0.621   9.105   9.105
  513    HA   VAL  78           HA       VAL  78  -1.721   7.417   7.417
  514    HB   VAL  78           HB       VAL  78  -2.582   9.560   9.560
  515   1HG1  VAL  78          HG13      VAL  78  -2.624   9.804   9.804
  516   2HG1  VAL  78          HG12      VAL  78  -3.639  10.860  10.860
  517   3HG1  VAL  78          HG11      VAL  78  -1.888  10.878  10.878
  518   1HG2  VAL  78          HG23      VAL  78  -4.532   8.143   8.143
  519   2HG2  VAL  78          HG22      VAL  78  -4.372   7.922   7.922
  520   3HG2  VAL  78          HG21      VAL  78  -4.970   9.451   9.451
  521    H    ILE  79           HN       ILE  79  -2.790   5.672   5.672
  522    HA   ILE  79           HA       ILE  79  -3.155   5.500   5.500
  523    HB   ILE  79           HB       ILE  79  -3.434   2.944   2.944
  524   1HG1  ILE  79          HG12      ILE  79  -2.096   3.958   3.958
  525   2HG1  ILE  79          HG11      ILE  79  -1.187   2.719   2.719
  526   1HG2  ILE  79          HG23      ILE  79  -2.754   3.402   3.402
  527   2HG2  ILE  79          HG22      ILE  79  -1.243   4.094   4.094
  528   3HG2  ILE  79          HG21      ILE  79  -1.585   2.382   2.382
  529   1HD1  ILE  79          HD13      ILE  79  -0.647   5.047   5.047
  530   2HD1  ILE  79          HD12      ILE  79  -0.642   5.578   5.578
  531   3HD1  ILE  79          HD11      ILE  79   0.429   4.276   4.276
  532    H    ASN  80           HN       ASN  80  -4.839   4.345   4.345
  533    HA   ASN  80           HA       ASN  80  -7.225   3.835   3.835
  534   1HB   ASN  80           HB2      ASN  80  -7.510   5.592   5.592
  535   2HB   ASN  80           HB1      ASN  80  -8.633   5.353   5.353
  536   1HD2  ASN  80          HD22      ASN  80  -6.894   7.613   7.613
  537   2HD2  ASN  80          HD21      ASN  80  -7.834   6.200   6.200
  538    H    LEU  81           HN       LEU  81  -7.631   1.812   1.812
  539    HA   LEU  81           HA       LEU  81  -7.708   1.224   1.224
  540   1HB   LEU  81           HB2      LEU  81  -5.604   0.266   0.266
  541   2HB   LEU  81           HB1      LEU  81  -6.274  -0.362  -0.362
  542    HG   LEU  81           HG       LEU  81  -5.878  -1.978  -1.978
  543   1HD1  LEU  81          HD11      LEU  81  -7.273  -2.162  -2.162
  544   2HD1  LEU  81          HD13      LEU  81  -8.629  -2.213  -2.213
  545   3HD1  LEU  81          HD12      LEU  81  -7.348  -3.421  -3.421
  546   1HD2  LEU  81          HD21      LEU  81  -7.656  -0.198  -0.198
  547   2HD2  LEU  81          HD23      LEU  81  -7.207  -1.789  -1.789
  548   3HD2  LEU  81          HD22      LEU  81  -8.646  -1.596  -1.596
  549    H    THR  82           HN       THR  82  -9.789   0.724   0.724
  550    HA   THR  82           HA       THR  82 -11.175  -0.791  -0.791
  551    HB   THR  82           HB       THR  82 -13.229   0.510   0.510
  552    HG1  THR  82           HG1      THR  82 -11.451   1.343   1.343
  553   1HG2  THR  82          HG22      THR  82 -11.204   1.138   1.138
  554   2HG2  THR  82          HG21      THR  82 -11.885   2.617   2.617
  555   3HG2  THR  82          HG23      THR  82 -12.942   1.420   1.420
  556    H    LEU  83           HN       LEU  83 -12.296  -2.564  -2.564
  557    HA   LEU  83           HA       LEU  83 -13.101  -2.943  -2.943
  558   1HB   LEU  83           HB2      LEU  83 -10.927  -4.119  -4.119
  559   2HB   LEU  83           HB1      LEU  83 -11.590  -5.064  -5.064
  560    HG   LEU  83           HG       LEU  83 -11.603  -5.931  -5.931
  561   1HD1  LEU  83          HD13      LEU  83 -12.688  -6.720  -6.720
  562   2HD1  LEU  83          HD12      LEU  83 -14.061  -6.753  -6.753
  563   3HD1  LEU  83          HD11      LEU  83 -12.606  -7.680  -7.680
  564   1HD2  LEU  83          HD21      LEU  83 -13.194  -3.977  -3.977
  565   2HD2  LEU  83          HD23      LEU  83 -13.731  -5.584  -5.584
  566   3HD2  LEU  83          HD22      LEU  83 -14.406  -4.831  -4.831
  567    H    ASP  84           HN       ASP  84 -15.145  -2.396  -2.396
  568    HA   ASP  84           HA       ASP  84 -17.122  -4.116  -4.116
  569   1HB   ASP  84           HB2      ASP  84 -15.419  -4.657  -4.657
  570   2HB   ASP  84           HB1      ASP  84 -17.170  -4.816  -4.816
  571    H    GLY  85           HN       GLY  85 -15.443  -1.634  -1.634
  572   1HA   GLY  85           HA2      GLY  85 -16.985   0.461   0.461
  573   2HA   GLY  85           HA1      GLY  85 -18.007  -0.561  -0.561
  574    H    ASP  86           HN       ASP  86 -14.849  -1.470  -1.470
  575    HA   ASP  86           HA       ASP  86 -14.559   0.647   0.647
  576   1HB   ASP  86           HB2      ASP  86 -13.869  -1.134  -1.134
  577   2HB   ASP  86           HB1      ASP  86 -15.551  -1.304  -1.304
  578    H    ASN  87           HN       ASN  87 -12.204   0.266   0.266
  579    HA   ASN  87           HA       ASN  87 -10.395  -0.055  -0.055
  580   1HB   ASN  87           HB2      ASN  87  -8.816   0.997   0.997
  581   2HB   ASN  87           HB1      ASN  87  -9.669   1.956   1.956
  582   1HD2  ASN  87          HD22      ASN  87 -12.189   3.074   3.074
  583   2HD2  ASN  87          HD21      ASN  87 -11.874   2.792   2.792
  584    H    VAL  88           HN       VAL  88  -8.411  -1.272  -1.272
  585    HA   VAL  88           HA       VAL  88  -8.790  -3.696  -3.696
  586    HB   VAL  88           HB       VAL  88  -6.462  -2.506  -2.506
  587   1HG1  VAL  88          HG13      VAL  88  -6.480  -5.134  -5.134
  588   2HG1  VAL  88          HG12      VAL  88  -5.220  -4.607  -4.607
  589   3HG1  VAL  88          HG11      VAL  88  -5.487  -3.732  -3.732
  590   1HG2  VAL  88          HG23      VAL  88  -8.479  -3.610  -3.610
  591   2HG2  VAL  88          HG22      VAL  88  -6.908  -4.290  -4.290
  592   3HG2  VAL  88          HG21      VAL  88  -7.942  -5.121  -5.121
  593    H    ASN  89           HN       ASN  89  -7.019  -4.459  -4.459
  594    HA   ASN  89           HA       ASN  89  -7.069  -2.525  -2.525
  595   1HB   ASN  89           HB2      ASN  89  -5.550  -5.119  -5.119
  596   2HB   ASN  89           HB1      ASN  89  -6.352  -4.282  -4.282
  597   1HD2  ASN  89          HD22      ASN  89  -8.436  -6.922  -6.922
  598   2HD2  ASN  89          HD21      ASN  89  -6.767  -6.688  -6.688
  599    H    GLY  90           HN       GLY  90  -5.202  -2.202  -2.202
  600   1HA   GLY  90           HA2      GLY  90  -2.870  -1.354  -1.354
  601   2HA   GLY  90           HA1      GLY  90  -2.581  -2.303  -2.303
  602    H    PHE  91           HN       PHE  91  -5.278  -0.317  -0.317
  603    HA   PHE  91           HA       PHE  91  -3.669   1.579   1.579
  604   1HB   PHE  91           HB2      PHE  91  -6.270   0.261   0.261
  605   2HB   PHE  91           HB1      PHE  91  -6.161   1.937   1.937
  606    HD1  PHE  91           HD1      PHE  91  -4.599  -1.404  -1.404
  607    HD2  PHE  91           HD2      PHE  91  -4.797   2.529   2.529
  608    HE1  PHE  91           HE1      PHE  91  -3.191  -2.123  -2.123
  609    HE2  PHE  91           HE2      PHE  91  -3.405   1.838   1.838
  610    HZ   PHE  91           HZ       PHE  91  -2.606  -0.514  -0.514
  611    HA   PRO  92           HA       PRO  92  -6.646   4.449   4.449
  612   1HB   PRO  92           HB2      PRO  92  -7.646   3.552   3.552
  613   2HB   PRO  92           HB1      PRO  92  -8.530   3.442   3.442
  614   1HG   PRO  92           HG2      PRO  92  -7.148   1.290   1.290
  615   2HG   PRO  92           HG1      PRO  92  -8.516   1.171   1.171
  616   1HD   PRO  92           HD2      PRO  92  -5.841   0.518   0.518
  617   2HD   PRO  92           HD1      PRO  92  -7.133   0.749   0.749
  618    H    LYS  93           HN       LYS  93  -3.963   2.872   2.872
  619    HA   LYS  93           HA       LYS  93  -3.241   4.243   4.243
  620   1HB   LYS  93           HB2      LYS  93  -2.790   1.736   1.736
  621   2HB   LYS  93           HB1      LYS  93  -1.563   2.287   2.287
  622   1HG   LYS  93           HG2      LYS  93  -0.167   3.039   3.039
  623   2HG   LYS  93           HG1      LYS  93  -1.503   3.566   3.566
  624   1HD   LYS  93           HD2      LYS  93  -1.817   0.812   0.812
  625   2HD   LYS  93           HD1      LYS  93  -0.065   1.015   1.015
  626   1HE   LYS  93           HE2      LYS  93  -2.017   2.364   2.364
  627   2HE   LYS  93           HE1      LYS  93  -1.093   0.913   0.913
  628   1HZ   LYS  93           HZ2      LYS  93   0.099   3.511   3.511
  629   2HZ   LYS  93           HZ1      LYS  93  -0.034   2.966   2.966
  630   3HZ   LYS  93           HZ3      LYS  93   0.942   2.124   2.124
  631    H    THR  94           HN       THR  94  -0.895   5.066   5.066
  632    HA   THR  94           HA       THR  94  -0.468   6.421   6.421
  633    HB   THR  94           HB       THR  94  -0.147   7.647   7.647
  634    HG1  THR  94           HG1      THR  94  -2.334   7.261   7.261
  635   1HG2  THR  94          HG21      THR  94   1.378   8.391   8.391
  636   2HG2  THR  94          HG23      THR  94  -0.076   9.000   9.000
  637   3HG2  THR  94          HG22      THR  94   0.420   9.653   9.653
  638    H    VAL  95           HN       VAL  95   1.546   6.259   6.259
  639    HA   VAL  95           HA       VAL  95   3.555   5.085   5.085
  640    HB   VAL  95           HB       VAL  95   3.317   5.115   5.115
  641   1HG1  VAL  95          HG13      VAL  95   5.652   5.884   5.884
  642   2HG1  VAL  95          HG12      VAL  95   5.834   4.313   4.313
  643   3HG1  VAL  95          HG11      VAL  95   5.579   4.410   4.410
  644   1HG2  VAL  95          HG23      VAL  95   3.314   3.190   3.190
  645   2HG2  VAL  95          HG22      VAL  95   2.556   3.073   3.073
  646   3HG2  VAL  95          HG21      VAL  95   4.268   2.689   2.689
  647    H    THR  96           HN       THR  96   5.747   6.096   6.096
  648    HA   THR  96           HA       THR  96   5.512   9.011   9.011
  649    HB   THR  96           HB       THR  96   7.045   7.734   7.734
  650    HG1  THR  96           HG1      THR  96   5.223   7.767   7.767
  651   1HG2  THR  96          HG21      THR  96   7.678  10.059  10.059
  652   2HG2  THR  96          HG23      THR  96   6.218  10.614  10.614
  653   3HG2  THR  96          HG22      THR  96   7.536   9.901   9.901
  654    H    VAL  97           HN       VAL  97   7.114  10.064  10.064
  655    HA   VAL  97           HA       VAL  97   9.716   8.695   8.695
  656    HB   VAL  97           HB       VAL  97   7.887  10.086  10.086
  657   1HG1  VAL  97          HG11      VAL  97  10.905  10.042  10.042
  658   2HG1  VAL  97          HG13      VAL  97   9.906  10.309  10.309
  659   3HG1  VAL  97          HG12      VAL  97   9.853  11.457  11.457
  660   1HG2  VAL  97          HG21      VAL  97   9.619   7.639   7.639
  661   2HG2  VAL  97          HG23      VAL  97   7.919   7.763   7.763
  662   3HG2  VAL  97          HG22      VAL  97   9.162   8.322   8.322
  663    H    LYS  98           HN       LYS  98  11.462  10.006  10.006
  664    HA   LYS  98           HA       LYS  98  10.805  12.848  12.848
  665   1HB   LYS  98           HB2      LYS  98  11.951  10.750  10.750
  666   2HB   LYS  98           HB1      LYS  98  12.927  12.219  12.219
  667   1HG   LYS  98           HG2      LYS  98  10.704  13.478  13.478
  668   2HG   LYS  98           HG1      LYS  98  10.034  11.903  11.903
  669   1HD   LYS  98           HD2      LYS  98  12.526  12.187  12.187
  670   2HD   LYS  98           HD1      LYS  98  11.590  13.658  13.658
  671   1HE   LYS  98           HE2      LYS  98  10.232  10.994  10.994
  672   2HE   LYS  98           HE1      LYS  98  11.237  11.573  11.573
  673   1HZ   LYS  98           HZ2      LYS  98   9.012  13.100  13.100
  674   2HZ   LYS  98           HZ1      LYS  98   8.906  12.243  12.243
  675   3HZ   LYS  98           HZ3      LYS  98   9.940  13.582  13.582
  676    HA   PRO  99           HA       PRO  99  15.361  13.116  13.116
  677   1HB   PRO  99           HB2      PRO  99  16.769  10.822  10.822
  678   2HB   PRO  99           HB1      PRO  99  16.655  11.551  11.551
  679   1HG   PRO  99           HG2      PRO  99  15.282   9.127   9.127
  680   2HG   PRO  99           HG1      PRO  99  15.736   9.516   9.516
  681   1HD   PRO  99           HD2      PRO  99  13.155   9.733   9.733
  682   2HD   PRO  99           HD1      PRO  99  13.698  10.467  10.467
  683    H    ALA 100           HN       ALA 100  14.064  13.807  13.807
  684    HA   ALA 100           HA       ALA 100  14.369  12.007  12.007
  685   1HB   ALA 100           HB3      ALA 100  12.143  13.271  13.271
  686   2HB   ALA 100           HB2      ALA 100  12.910  14.624  14.624
  687   3HB   ALA 100           HB1      ALA 100  12.588  13.124  13.124

  Start of MODEL   20
    1   1H    ALA   1           HT2      ALA   1 -18.132  -8.019  -8.019
    2   2H    ALA   1           HT1      ALA   1 -19.390  -8.674  -8.674
    3   3H    ALA   1           HT3      ALA   1 -18.534  -9.663  -9.663
    4    HA   ALA   1           HA       ALA   1 -17.647 -10.209 -10.209
    5   1HB   ALA   1           HB3      ALA   1 -18.721  -8.119  -8.119
    6   2HB   ALA   1           HB2      ALA   1 -17.249  -7.268  -7.268
    7   3HB   ALA   1           HB1      ALA   1 -17.164  -8.623  -8.623
    8    H    ASP   2           HN       ASP   2 -15.922 -11.023 -11.023
    9    HA   ASP   2           HA       ASP   2 -13.788 -11.131 -11.131
   10   1HB   ASP   2           HB2      ASP   2 -13.128 -10.413 -10.413
   11   2HB   ASP   2           HB1      ASP   2 -13.442  -8.736  -8.736
   12    HA   PRO   3           HA       PRO   3 -14.616  -7.432  -7.432
   13   1HB   PRO   3           HB2      PRO   3 -16.247  -8.613  -8.613
   14   2HB   PRO   3           HB1      PRO   3 -16.875  -7.741  -7.741
   15   1HG   PRO   3           HG2      PRO   3 -16.764 -10.683 -10.683
   16   2HG   PRO   3           HG1      PRO   3 -17.891  -9.755  -9.755
   17   1HD   PRO   3           HD2      PRO   3 -15.686 -11.254 -11.254
   18   2HD   PRO   3           HD1      PRO   3 -16.618 -10.052 -10.052
   19    H    GLU   4           HN       GLU   4 -13.358 -10.485 -10.485
   20    HA   GLU   4           HA       GLU   4 -11.911 -10.152 -10.152
   21   1HB   GLU   4           HB2      GLU   4 -13.948 -12.050 -12.050
   22   2HB   GLU   4           HB1      GLU   4 -12.415 -12.906 -12.906
   23   1HG   GLU   4           HG2      GLU   4 -12.521 -12.709 -12.709
   24   2HG   GLU   4           HG1      GLU   4 -12.550 -10.952 -10.952
   25    H    LYS   5           HN       LYS   5 -11.482 -10.380 -10.380
   26    HA   LYS   5           HA       LYS   5  -8.913 -11.826 -11.826
   27   1HB   LYS   5           HB2      LYS   5 -10.835 -12.331 -12.331
   28   2HB   LYS   5           HB1      LYS   5  -9.247 -13.070 -13.070
   29   1HG   LYS   5           HG2      LYS   5 -10.618 -14.723 -14.723
   30   2HG   LYS   5           HG1      LYS   5 -10.221 -13.796 -13.796
   31   1HD   LYS   5           HD2      LYS   5 -12.412 -13.411 -13.411
   32   2HD   LYS   5           HD1      LYS   5 -12.464 -12.534 -12.534
   33   1HE   LYS   5           HE2      LYS   5 -13.954 -14.176 -14.176
   34   2HE   LYS   5           HE1      LYS   5 -12.482 -15.075 -15.075
   35   1HZ   LYS   5           HZ2      LYS   5 -12.728 -15.510 -15.510
   36   2HZ   LYS   5           HZ1      LYS   5 -14.364 -15.412 -15.412
   37   3HZ   LYS   5           HZ3      LYS   5 -13.348 -16.548 -16.548
   38    H    SER   6           HN       SER   6  -9.448  -9.075  -9.075
   39    HA   SER   6           HA       SER   6  -8.409  -8.345  -8.345
   40   1HB   SER   6           HB2      SER   6  -9.628  -6.386  -6.386
   41   2HB   SER   6           HB1      SER   6  -9.474  -6.257  -6.257
   42    HG   SER   6           HG       SER   6 -11.353  -7.154  -7.154
   43    H    TYR   7           HN       TYR   7  -6.262  -7.897  -7.897
   44    HA   TYR   7           HA       TYR   7  -5.194  -6.391  -6.391
   45   1HB   TYR   7           HB2      TYR   7  -3.163  -7.932  -7.932
   46   2HB   TYR   7           HB1      TYR   7  -4.644  -8.645  -8.645
   47    HD1  TYR   7           HD1      TYR   7  -6.080 -10.086 -10.086
   48    HD2  TYR   7           HD2      TYR   7  -2.156  -8.766  -8.766
   49    HE1  TYR   7           HE1      TYR   7  -6.008 -11.831 -11.831
   50    HE2  TYR   7           HE2      TYR   7  -2.086 -10.512 -10.512
   51    HH   TYR   7           HH       TYR   7  -3.811 -13.095 -13.095
   52    H    ALA   8           HN       ALA   8  -3.424  -5.060  -5.060
   53    HA   ALA   8           HA       ALA   8  -2.544  -4.959  -4.959
   54   1HB   ALA   8           HB1      ALA   8  -3.826  -2.903  -2.903
   55   2HB   ALA   8           HB3      ALA   8  -2.217  -2.390  -2.390
   56   3HB   ALA   8           HB2      ALA   8  -3.407  -2.875  -2.875
   57    H    GLU   9           HN       GLU   9  -0.324  -5.067  -5.067
   58    HA   GLU   9           HA       GLU   9   1.335  -4.065  -4.065
   59   1HB   GLU   9           HB2      GLU   9   2.635  -6.398  -6.398
   60   2HB   GLU   9           HB1      GLU   9   1.363  -6.191  -6.191
   61   1HG   GLU   9           HG2      GLU   9  -0.241  -7.289  -7.289
   62   2HG   GLU   9           HG1      GLU   9   0.684  -7.052  -7.052
   63    H    GLY  10           HN       GLY  10   3.338  -3.389  -3.389
   64   1HA   GLY  10           HA2      GLY  10   4.490  -4.232  -4.232
   65   2HA   GLY  10           HA1      GLY  10   3.848  -2.594  -2.594
   66    HA   PRO  11           HA       PRO  11   8.100  -2.462  -2.462
   67   1HB   PRO  11           HB2      PRO  11   9.431  -1.444  -1.444
   68   2HB   PRO  11           HB1      PRO  11   9.316  -3.180  -3.180
   69   1HG   PRO  11           HG2      PRO  11   7.896  -1.579  -1.579
   70   2HG   PRO  11           HG1      PRO  11   8.287  -3.307  -3.307
   71   1HD   PRO  11           HD2      PRO  11   5.755  -2.161  -2.161
   72   2HD   PRO  11           HD1      PRO  11   6.235  -3.847  -3.847
   73    H    GLY  12           HN       GLY  12   5.634  -0.629  -0.629
   74   1HA   GLY  12           HA2      GLY  12   6.972   1.978   1.978
   75   2HA   GLY  12           HA1      GLY  12   5.570   1.783   1.783
   76    H    LEU  13           HN       LEU  13   5.691   3.493   3.493
   77    HA   LEU  13           HA       LEU  13   3.961   4.114   4.114
   78   1HB   LEU  13           HB2      LEU  13   2.061   2.969   2.969
   79   2HB   LEU  13           HB1      LEU  13   2.862   1.784   1.784
   80    HG   LEU  13           HG       LEU  13   3.048   1.626   1.626
   81   1HD1  LEU  13          HD12      LEU  13   0.644   1.761   1.761
   82   2HD1  LEU  13          HD11      LEU  13   0.983   0.047   0.047
   83   3HD1  LEU  13          HD13      LEU  13   0.978   0.727   0.727
   84   1HD2  LEU  13          HD22      LEU  13   3.081  -0.458  -0.458
   85   2HD2  LEU  13          HD21      LEU  13   4.493   0.118   0.118
   86   3HD2  LEU  13          HD23      LEU  13   3.243  -0.803  -0.803
   87    H    ASP  14           HN       ASP  14   6.085   1.458   1.458
   88    HA   ASP  14           HA       ASP  14   5.935   1.034   1.034
   89   1HB   ASP  14           HB2      ASP  14   8.594   1.377   1.377
   90   2HB   ASP  14           HB1      ASP  14   8.126   0.207   0.207
   91    H    GLY  15           HN       GLY  15   6.918   3.791   3.791
   92   1HA   GLY  15           HA2      GLY  15   7.307   5.996   5.996
   93   2HA   GLY  15           HA1      GLY  15   7.191   5.391   5.391
   94    H    GLY  16           HN       GLY  16   8.993   5.944   5.944
   95   1HA   GLY  16           HA2      GLY  16  11.276   5.997   5.997
   96   2HA   GLY  16           HA1      GLY  16  11.529   4.804   4.804
   97    H    GLU  17           HN       GLU  17  11.172   5.924   5.924
   98    HA   GLU  17           HA       GLU  17  12.706   8.489   8.489
   99   1HB   GLU  17           HB2      GLU  17  13.068   6.099   6.099
  100   2HB   GLU  17           HB1      GLU  17  13.736   7.666   7.666
  101   1HG   GLU  17           HG2      GLU  17  15.234   7.641   7.641
  102   2HG   GLU  17           HG1      GLU  17  14.233   6.547   6.547
  103    H    CYS  18           HN       CYS  18  12.182  10.050  10.050
  104    HA   CYS  18           HA       CYS  18   9.593   9.750   9.750
  105   1HB   CYS  18           HB2      CYS  18  11.328  12.076  12.076
  106   2HB   CYS  18           HB1      CYS  18  10.351  12.218  12.218
  107    HG   CYS  18           HG       CYS  18   8.491  11.225  11.225
  108    H    PHE  19           HN       PHE  19  12.974   9.696   9.696
  109    HA   PHE  19           HA       PHE  19  12.404  10.251  10.251
  110   1HB   PHE  19           HB2      PHE  19  14.964   9.827   9.827
  111   2HB   PHE  19           HB1      PHE  19  14.936   9.814   9.814
  112    HD1  PHE  19           HD1      PHE  19  12.894  11.708  11.708
  113    HD2  PHE  19           HD2      PHE  19  15.797  11.936  11.936
  114    HE1  PHE  19           HE1      PHE  19  12.652  14.166  14.166
  115    HE2  PHE  19           HE2      PHE  19  15.559  14.406  14.406
  116    HZ   PHE  19           HZ       PHE  19  13.953  15.500  15.500
  117    H    GLN  20           HN       GLN  20  11.630   7.782   7.782
  118    HA   GLN  20           HA       GLN  20  12.742   5.735   5.735
  119   1HB   GLN  20           HB2      GLN  20  12.177   5.648   5.648
  120   2HB   GLN  20           HB1      GLN  20  10.828   4.790   4.790
  121   1HG   GLN  20           HG2      GLN  20  12.253   3.209   3.209
  122   2HG   GLN  20           HG1      GLN  20  13.681   4.212   4.212
  123   1HE2  GLN  20          HE22      GLN  20  12.442   3.029   3.029
  124   2HE2  GLN  20          HE21      GLN  20  11.551   4.134   4.134
  125    HA   PRO  21           HA       PRO  21   9.033   6.222   6.222
  126   1HB   PRO  21           HB2      PRO  21   9.030   3.771   3.771
  127   2HB   PRO  21           HB1      PRO  21  10.047   5.137   5.137
  128   1HG   PRO  21           HG2      PRO  21  10.807   2.670   2.670
  129   2HG   PRO  21           HG1      PRO  21  11.779   3.640   3.640
  130   1HD   PRO  21           HD2      PRO  21  11.998   3.770   3.770
  131   2HD   PRO  21           HD1      PRO  21  12.506   5.063   5.063
  132    H    SER  22           HN       SER  22   6.900   5.931   5.931
  133    HA   SER  22           HA       SER  22   6.490   3.659   3.659
  134   1HB   SER  22           HB2      SER  22   5.886   6.344   6.344
  135   2HB   SER  22           HB1      SER  22   4.348   5.576   5.576
  136    HG   SER  22           HG       SER  22   5.803   5.527   5.527
  137    H    LYS  23           HN       LYS  23   5.747   1.924   1.924
  138    HA   LYS  23           HA       LYS  23   3.278   2.240   2.240
  139   1HB   LYS  23           HB2      LYS  23   5.642   0.697   0.697
  140   2HB   LYS  23           HB1      LYS  23   4.120   1.011   1.011
  141   1HG   LYS  23           HG2      LYS  23   5.323   2.696   2.696
  142   2HG   LYS  23           HG1      LYS  23   4.875   3.548   3.548
  143   1HD   LYS  23           HD2      LYS  23   7.188   3.881   3.881
  144   2HD   LYS  23           HD1      LYS  23   7.044   2.474   2.474
  145   1HE   LYS  23           HE2      LYS  23   7.105   1.426   1.426
  146   2HE   LYS  23           HE1      LYS  23   8.334   2.690   2.690
  147   1HZ   LYS  23           HZ3      LYS  23   9.039   1.644   1.644
  148   2HZ   LYS  23           HZ2      LYS  23   8.126   0.297   0.297
  149   3HZ   LYS  23           HZ1      LYS  23   9.442   0.821   0.821
  150    H    PHE  24           HN       PHE  24   1.949   0.541   0.541
  151    HA   PHE  24           HA       PHE  24   3.102  -1.982  -1.982
  152   1HB   PHE  24           HB2      PHE  24   0.686  -1.547  -1.547
  153   2HB   PHE  24           HB1      PHE  24   2.318  -1.728  -1.728
  154    HD1  PHE  24           HD2      PHE  24   3.838   0.424   0.424
  155    HD2  PHE  24           HD1      PHE  24  -0.443   0.420   0.420
  156    HE1  PHE  24           HE2      PHE  24   3.887   2.817   2.817
  157    HE2  PHE  24           HE1      PHE  24  -0.396   2.818   2.818
  158    HZ   PHE  24           HZ       PHE  24   1.775   4.003   4.003
  159    H    LYS  25           HN       LYS  25   1.558  -3.790  -3.790
  160    HA   LYS  25           HA       LYS  25  -0.460  -3.271  -3.271
  161   1HB   LYS  25           HB2      LYS  25   1.064  -5.816  -5.816
  162   2HB   LYS  25           HB1      LYS  25  -0.148  -5.658  -5.658
  163   1HG   LYS  25           HG2      LYS  25   1.452  -4.928  -4.928
  164   2HG   LYS  25           HG1      LYS  25   1.694  -3.528  -3.528
  165   1HD   LYS  25           HD2      LYS  25   3.567  -4.403  -4.403
  166   2HD   LYS  25           HD1      LYS  25   2.919  -6.044  -6.044
  167   1HE   LYS  25           HE2      LYS  25   3.214  -5.872  -5.872
  168   2HE   LYS  25           HE1      LYS  25   4.342  -4.575  -4.575
  169   1HZ   LYS  25           HZ2      LYS  25   4.736  -6.850  -6.850
  170   2HZ   LYS  25           HZ1      LYS  25   4.868  -7.267  -7.267
  171   3HZ   LYS  25           HZ3      LYS  25   5.847  -6.041  -6.041
  172    H    ILE  26           HN       ILE  26  -2.545  -3.968  -3.968
  173    HA   ILE  26           HA       ILE  26  -3.078  -4.985  -4.985
  174    HB   ILE  26           HB       ILE  26  -5.112  -3.805  -3.805
  175   1HG1  ILE  26          HG12      ILE  26  -3.210  -2.366  -2.366
  176   2HG1  ILE  26          HG11      ILE  26  -3.318  -2.169  -2.169
  177   1HG2  ILE  26          HG23      ILE  26  -5.755  -5.023  -5.023
  178   2HG2  ILE  26          HG22      ILE  26  -4.934  -3.736  -3.736
  179   3HG2  ILE  26          HG21      ILE  26  -6.333  -3.363  -3.363
  180   1HD1  ILE  26          HD11      ILE  26  -5.928  -1.746  -1.746
  181   2HD1  ILE  26          HD13      ILE  26  -4.903  -0.916  -0.916
  182   3HD1  ILE  26          HD12      ILE  26  -4.795  -0.509  -0.509
  183    H    HIS  27           HN       HIS  27  -4.612  -6.659  -6.659
  184    HA   HIS  27           HA       HIS  27  -5.428  -8.143  -8.143
  185   1HB   HIS  27           HB2      HIS  27  -4.205  -9.598  -9.598
  186   2HB   HIS  27           HB1      HIS  27  -4.502 -10.201 -10.201
  187    HD1  HIS  27           HD1      HIS  27  -2.549  -7.283  -7.283
  188    HD2  HIS  27           HD2      HIS  27  -2.162 -10.207 -10.207
  189    HE1  HIS  27           HE1      HIS  27  -0.300  -6.918  -6.918
  190    H    ALA  28           HN       ALA  28  -7.585  -8.265  -8.265
  191    HA   ALA  28           HA       ALA  28  -8.749  -8.609  -8.609
  192   1HB   ALA  28           HB2      ALA  28  -9.679  -7.419  -7.419
  193   2HB   ALA  28           HB1      ALA  28 -10.899  -8.199  -8.199
  194   3HB   ALA  28           HB3      ALA  28  -9.944  -6.867  -6.867
  195    H    VAL  29           HN       VAL  29 -10.028 -10.439 -10.439
  196    HA   VAL  29           HA       VAL  29 -10.372 -12.425 -12.425
  197    HB   VAL  29           HB       VAL  29  -9.129 -12.802 -12.802
  198   1HG1  VAL  29          HG13      VAL  29 -11.136 -14.595 -14.595
  199   2HG1  VAL  29          HG12      VAL  29  -9.649 -15.378 -15.378
  200   3HG1  VAL  29          HG11      VAL  29 -10.635 -14.477 -14.477
  201   1HG2  VAL  29          HG23      VAL  29  -7.888 -12.699 -12.699
  202   2HG2  VAL  29          HG22      VAL  29  -7.579 -14.137 -14.137
  203   3HG2  VAL  29          HG21      VAL  29  -8.672 -14.224 -14.224
  204    H    ASP  30           HN       ASP  30 -12.436 -12.994 -12.994
  205    HA   ASP  30           HA       ASP  30 -14.343 -12.374 -12.374
  206   1HB   ASP  30           HB2      ASP  30 -15.914 -11.897 -11.897
  207   2HB   ASP  30           HB1      ASP  30 -14.456 -11.524 -11.524
  208    HA   PRO  31           HA       PRO  31 -15.434 -16.616 -16.616
  209   1HB   PRO  31           HB2      PRO  31 -18.156 -16.750 -16.750
  210   2HB   PRO  31           HB1      PRO  31 -17.382 -16.044 -16.044
  211   1HG   PRO  31           HG2      PRO  31 -18.741 -14.672 -14.672
  212   2HG   PRO  31           HG1      PRO  31 -18.480 -14.107 -14.107
  213   1HD   PRO  31           HD2      PRO  31 -16.999 -13.342 -13.342
  214   2HD   PRO  31           HD1      PRO  31 -16.588 -12.969 -12.969
  215    H    ASP  32           HN       ASP  32 -15.017 -15.652 -15.652
  216    HA   ASP  32           HA       ASP  32 -16.301 -18.086 -18.086
  217   1HB   ASP  32           HB2      ASP  32 -17.271 -15.998 -15.998
  218   2HB   ASP  32           HB1      ASP  32 -15.657 -15.452 -15.452
  219    H    GLY  33           HN       GLY  33 -13.493 -17.206 -17.206
  220   1HA   GLY  33           HA2      GLY  33 -11.298 -17.976 -17.976
  221   2HA   GLY  33           HA1      GLY  33 -11.932 -18.898 -18.898
  222    H    VAL  34           HN       VAL  34 -12.486 -15.503 -15.503
  223    HA   VAL  34           HA       VAL  34 -10.547 -14.729 -14.729
  224    HB   VAL  34           HB       VAL  34 -13.330 -13.709 -13.709
  225   1HG1  VAL  34          HG13      VAL  34 -10.891 -13.698 -13.698
  226   2HG1  VAL  34          HG12      VAL  34 -11.939 -14.778 -14.778
  227   3HG1  VAL  34          HG11      VAL  34 -12.449 -13.121 -13.121
  228   1HG2  VAL  34          HG22      VAL  34 -12.486 -16.559 -16.559
  229   2HG2  VAL  34          HG21      VAL  34 -13.892 -16.020 -16.020
  230   3HG2  VAL  34          HG23      VAL  34 -13.826 -15.768 -15.768
  231    H    HIS  35           HN       HIS  35 -10.986 -12.188 -12.188
  232    HA   HIS  35           HA       HIS  35 -11.042 -11.047 -11.047
  233   1HB   HIS  35           HB2      HIS  35 -10.338  -9.582  -9.582
  234   2HB   HIS  35           HB1      HIS  35  -9.880  -9.165  -9.165
  235    HD1  HIS  35           HD1      HIS  35  -7.453  -9.652  -9.652
  236    HD2  HIS  35           HD2      HIS  35  -9.228 -12.507 -12.507
  237    HE1  HIS  35           HE1      HIS  35  -5.648 -11.331 -11.331
  238    H    ARG  36           HN       ARG  36 -13.452 -11.793 -11.793
  239    HA   ARG  36           HA       ARG  36 -15.661 -11.113 -11.113
  240   1HB   ARG  36           HB2      ARG  36 -14.831  -9.123  -9.123
  241   2HB   ARG  36           HB1      ARG  36 -14.538  -8.309  -8.309
  242   1HG   ARG  36           HG2      ARG  36 -16.947  -8.780  -8.780
  243   2HG   ARG  36           HG1      ARG  36 -17.182  -9.318  -9.318
  244   1HD   ARG  36           HD2      ARG  36 -16.272  -7.053  -7.053
  245   2HD   ARG  36           HD1      ARG  36 -16.401  -6.552  -6.552
  246    HE   ARG  36           HE       ARG  36 -18.629  -6.925  -6.925
  247   1HH1  ARG  36          HH21      ARG  36 -20.264  -8.219  -8.219
  248   2HH1  ARG  36          HH22      ARG  36 -20.642  -7.282  -7.282
  249   1HH2  ARG  36          HH11      ARG  36 -17.947  -5.133  -5.133
  250   2HH2  ARG  36          HH12      ARG  36 -19.329  -5.536  -5.536
  251    H    THR  37           HN       THR  37 -15.107 -12.220 -12.220
  252    HA   THR  37           HA       THR  37 -15.266 -12.197 -12.197
  253    HB   THR  37           HB       THR  37 -17.220 -11.105 -11.105
  254    HG1  THR  37           HG1      THR  37 -18.082  -9.446  -9.446
  255   1HG2  THR  37          HG23      THR  37 -17.310 -12.652 -12.652
  256   2HG2  THR  37          HG22      THR  37 -18.143 -11.204 -11.204
  257   3HG2  THR  37          HG21      THR  37 -18.743 -12.069 -12.069
  258    H    ASP  38           HN       ASP  38 -13.108 -11.395 -11.395
  259    HA   ASP  38           HA       ASP  38 -12.045  -8.877  -8.877
  260   1HB   ASP  38           HB2      ASP  38 -11.442 -11.155 -11.155
  261   2HB   ASP  38           HB1      ASP  38 -11.626  -9.894  -9.894
  262    H    GLY  39           HN       GLY  39 -11.975  -7.003  -7.003
  263   1HA   GLY  39           HA2      GLY  39 -12.873  -5.551  -5.551
  264   2HA   GLY  39           HA1      GLY  39 -14.079  -6.779  -6.779
  265    H    GLY  40           HN       GLY  40 -15.051  -7.161  -7.161
  266   1HA   GLY  40           HA2      GLY  40 -16.299  -4.481  -4.481
  267   2HA   GLY  40           HA1      GLY  40 -17.224  -5.979  -5.979
  268    H    ASP  41           HN       ASP  41 -14.139  -4.761  -4.761
  269    HA   ASP  41           HA       ASP  41 -14.857  -6.135  -6.135
  270   1HB   ASP  41           HB2      ASP  41 -12.287  -4.655  -4.655
  271   2HB   ASP  41           HB1      ASP  41 -12.572  -6.035  -6.035
  272    H    GLY  42           HN       GLY  42 -15.752  -4.898  -4.898
  273   1HA   GLY  42           HA2      GLY  42 -15.982  -2.018  -2.018
  274   2HA   GLY  42           HA1      GLY  42 -16.426  -2.956  -2.956
  275    H    PHE  43           HN       PHE  43 -13.447  -2.118  -2.118
  276    HA   PHE  43           HA       PHE  43 -12.037  -1.958  -1.958
  277   1HB   PHE  43           HB2      PHE  43 -11.366  -3.149  -3.149
  278   2HB   PHE  43           HB1      PHE  43 -10.343  -1.717  -1.717
  279    HD1  PHE  43           HD2      PHE  43 -10.266  -1.628  -1.628
  280    HD2  PHE  43           HD1      PHE  43  -9.641  -4.778  -4.778
  281    HE1  PHE  43           HE2      PHE  43  -8.793  -2.804  -2.804
  282    HE2  PHE  43           HE1      PHE  43  -8.168  -5.953  -5.953
  283    HZ   PHE  43           HZ       PHE  43  -7.746  -4.966  -4.966
  284    H    VAL  44           HN       VAL  44 -11.421  -0.048  -0.048
  285    HA   VAL  44           HA       VAL  44 -10.944   2.210   2.210
  286    HB   VAL  44           HB       VAL  44 -13.002   3.010   3.010
  287   1HG1  VAL  44          HG11      VAL  44 -12.665   0.990   0.990
  288   2HG1  VAL  44          HG13      VAL  44 -13.507   2.434   2.434
  289   3HG1  VAL  44          HG12      VAL  44 -14.129   1.527   1.527
  290   1HG2  VAL  44          HG22      VAL  44 -10.962   4.279   4.279
  291   2HG2  VAL  44          HG21      VAL  44 -12.641   4.764   4.764
  292   3HG2  VAL  44          HG23      VAL  44 -11.842   3.745   3.745
  293    H    VAL  45           HN       VAL  45  -8.830   2.679   2.679
  294    HA   VAL  45           HA       VAL  45  -7.901   2.631   2.631
  295    HB   VAL  45           HB       VAL  45  -6.265   1.976   1.976
  296   1HG1  VAL  45          HG12      VAL  45  -5.658   1.966   1.966
  297   2HG1  VAL  45          HG11      VAL  45  -4.629   1.192   1.192
  298   3HG1  VAL  45          HG13      VAL  45  -4.874   2.938   2.938
  299   1HG2  VAL  45          HG22      VAL  45  -8.122   0.396   0.396
  300   2HG2  VAL  45          HG21      VAL  45  -6.968  -0.152  -0.152
  301   3HG2  VAL  45          HG23      VAL  45  -6.519  -0.149  -0.149
  302    H    THR  46           HN       THR  46  -6.394   4.258   4.258
  303    HA   THR  46           HA       THR  46  -5.709   6.321   6.321
  304    HB   THR  46           HB       THR  46  -6.975   7.871   7.871
  305    HG1  THR  46           HG1      THR  46  -9.110   6.453   6.453
  306   1HG2  THR  46          HG23      THR  46  -6.834   8.211   8.211
  307   2HG2  THR  46          HG22      THR  46  -8.098   6.996   6.996
  308   3HG2  THR  46          HG21      THR  46  -8.445   8.501   8.501
  309    H    ILE  47           HN       ILE  47  -3.832   7.197   7.197
  310    HA   ILE  47           HA       ILE  47  -3.037   7.089   7.089
  311    HB   ILE  47           HB       ILE  47  -1.443   6.623   6.623
  312   1HG1  ILE  47          HG12      ILE  47  -2.055   5.208   5.208
  313   2HG1  ILE  47          HG11      ILE  47  -1.698   4.549   4.549
  314   1HG2  ILE  47          HG23      ILE  47  -0.328   7.637   7.637
  315   2HG2  ILE  47          HG22      ILE  47   0.640   7.048   7.048
  316   3HG2  ILE  47          HG21      ILE  47  -0.315   8.511   8.511
  317   1HD1  ILE  47          HD13      ILE  47   0.722   5.398   5.398
  318   2HD1  ILE  47          HD12      ILE  47   0.235   5.479   5.479
  319   3HD1  ILE  47          HD11      ILE  47   0.203   3.936   3.936
  320    H    GLU  48           HN       GLU  48  -1.743   8.913   8.913
  321    HA   GLU  48           HA       GLU  48  -1.174  11.067  11.067
  322   1HB   GLU  48           HB2      GLU  48  -2.945  12.568  12.568
  323   2HB   GLU  48           HB1      GLU  48  -3.244  11.993  11.993
  324   1HG   GLU  48           HG2      GLU  48  -4.644  10.293  10.293
  325   2HG   GLU  48           HG1      GLU  48  -3.841  10.135  10.135
  326    H    GLY  49           HN       GLY  49  -0.203  12.880  12.880
  327   1HA   GLY  49           HA2      GLY  49   0.161  12.886  12.886
  328   2HA   GLY  49           HA1      GLY  49   1.604  12.389  12.389
  329    HA   PRO  50           HA       PRO  50   1.492  17.020  17.020
  330   1HB   PRO  50           HB2      PRO  50   3.960  17.312  17.312
  331   2HB   PRO  50           HB1      PRO  50   2.444  17.189  17.189
  332   1HG   PRO  50           HG2      PRO  50   4.584  15.142  15.142
  333   2HG   PRO  50           HG1      PRO  50   3.428  15.331  15.331
  334   1HD   PRO  50           HD2      PRO  50   3.235  13.449  13.449
  335   2HD   PRO  50           HD1      PRO  50   1.936  13.885  13.885
  336    H    ALA  51           HN       ALA  51   1.772  16.183  16.183
  337    HA   ALA  51           HA       ALA  51   4.324  17.244  17.244
  338   1HB   ALA  51           HB3      ALA  51   4.175  14.514  14.514
  339   2HB   ALA  51           HB2      ALA  51   3.790  14.647  14.647
  340   3HB   ALA  51           HB1      ALA  51   5.306  15.304  15.304
  341    HA   PRO  52           HA       PRO  52   1.921  18.162  18.162
  342   1HB   PRO  52           HB2      PRO  52   3.440  17.343  17.343
  343   2HB   PRO  52           HB1      PRO  52   3.813  18.766  18.766
  344   1HG   PRO  52           HG2      PRO  52   5.150  16.103  16.103
  345   2HG   PRO  52           HG1      PRO  52   5.804  17.681  17.681
  346   1HD   PRO  52           HD2      PRO  52   4.950  15.639  15.639
  347   2HD   PRO  52           HD1      PRO  52   5.311  17.320  17.320
  348    H    VAL  53           HN       VAL  53   3.363  15.022  15.022
  349    HA   VAL  53           HA       VAL  53   0.758  14.224  14.224
  350    HB   VAL  53           HB       VAL  53   3.394  12.722  12.722
  351   1HG1  VAL  53          HG12      VAL  53   0.999  11.603  11.603
  352   2HG1  VAL  53          HG11      VAL  53   1.280  12.229  12.229
  353   3HG1  VAL  53          HG13      VAL  53   2.428  11.102  11.102
  354   1HG2  VAL  53          HG22      VAL  53   2.330  14.848  14.848
  355   2HG2  VAL  53          HG21      VAL  53   4.000  14.374  14.374
  356   3HG2  VAL  53          HG23      VAL  53   3.020  13.459  13.459
  357    H    ASP  54           HN       ASP  54  -0.360  14.109  14.109
  358    HA   ASP  54           HA       ASP  54   0.625  11.978  11.978
  359   1HB   ASP  54           HB2      ASP  54  -1.569  14.037  14.037
  360   2HB   ASP  54           HB1      ASP  54  -1.219  12.805  12.805
  361    HA   PRO  55           HA       PRO  55  -3.657  10.214  10.214
  362   1HB   PRO  55           HB2      PRO  55  -5.100  11.459  11.459
  363   2HB   PRO  55           HB1      PRO  55  -5.207  11.903  11.903
  364   1HG   PRO  55           HG2      PRO  55  -3.901  13.368  13.368
  365   2HG   PRO  55           HG1      PRO  55  -4.504  13.987  13.987
  366   1HD   PRO  55           HD2      PRO  55  -1.782  13.432  13.432
  367   2HD   PRO  55           HD1      PRO  55  -2.417  13.887  13.887
  368    H    VAL  56           HN       VAL  56  -2.684   8.397   8.397
  369    HA   VAL  56           HA       VAL  56  -2.686   8.540   8.540
  370    HB   VAL  56           HB       VAL  56  -0.433   7.363   7.363
  371   1HG1  VAL  56          HG13      VAL  56  -1.105   7.767   7.767
  372   2HG1  VAL  56          HG12      VAL  56   0.589   7.918   7.918
  373   3HG1  VAL  56          HG11      VAL  56  -0.282   6.416   6.416
  374   1HG2  VAL  56          HG23      VAL  56  -0.683  10.115  10.115
  375   2HG2  VAL  56          HG22      VAL  56  -0.416   9.755   9.755
  376   3HG2  VAL  56          HG21      VAL  56   0.848   9.412   9.412
  377    H    MET  57           HN       MET  57  -4.394   6.987   6.987
  378    HA   MET  57           HA       MET  57  -3.515   4.270   4.270
  379   1HB   MET  57           HB2      MET  57  -5.561   3.690   3.690
  380   2HB   MET  57           HB1      MET  57  -5.018   5.200   5.200
  381   1HG   MET  57           HG2      MET  57  -6.920   5.192   5.192
  382   2HG   MET  57           HG1      MET  57  -7.507   5.028   5.028
  383   1HE   MET  57           HE2      MET  57  -8.911   6.976   6.976
  384   2HE   MET  57           HE1      MET  57  -8.401   8.662   8.662
  385   3HE   MET  57           HE3      MET  57  -8.031   7.587   7.587
  386    H    VAL  58           HN       VAL  58  -4.017   2.721   2.721
  387    HA   VAL  58           HA       VAL  58  -5.971   3.416   3.416
  388    HB   VAL  58           HB       VAL  58  -3.583   1.930   1.930
  389   1HG1  VAL  58          HG13      VAL  58  -5.593   2.827   2.827
  390   2HG1  VAL  58          HG12      VAL  58  -4.834   4.410   4.410
  391   3HG1  VAL  58          HG11      VAL  58  -3.981   3.109   3.109
  392   1HG2  VAL  58          HG23      VAL  58  -2.530   3.607   3.607
  393   2HG2  VAL  58          HG22      VAL  58  -2.205   3.976   3.976
  394   3HG2  VAL  58          HG21      VAL  58  -3.430   4.889   4.889
  395    H    ASP  59           HN       ASP  59  -6.770   1.517   1.517
  396    HA   ASP  59           HA       ASP  59  -6.608  -0.971  -0.971
  397   1HB   ASP  59           HB2      ASP  59  -8.867  -0.297  -0.297
  398   2HB   ASP  59           HB1      ASP  59  -8.775   0.234   0.234
  399    H    ASN  60           HN       ASN  60  -5.915  -2.851  -2.851
  400    HA   ASN  60           HA       ASN  60  -4.827  -2.620  -2.620
  401   1HB   ASN  60           HB2      ASN  60  -4.579  -4.666  -4.666
  402   2HB   ASN  60           HB1      ASN  60  -4.012  -5.008  -5.008
  403   1HD2  ASN  60          HD22      ASN  60  -1.242  -2.766  -2.766
  404   2HD2  ASN  60          HD21      ASN  60  -2.241  -3.636  -3.636
  405    H    GLY  61           HN       GLY  61  -7.598  -4.049  -4.049
  406   1HA   GLY  61           HA2      GLY  61  -9.479  -4.934  -4.934
  407   2HA   GLY  61           HA1      GLY  61  -8.558  -4.899  -4.899
  408    H    ASP  62           HN       ASP  62  -6.761  -6.354  -6.354
  409    HA   ASP  62           HA       ASP  62  -7.606  -9.061  -9.061
  410   1HB   ASP  62           HB2      ASP  62  -5.291  -9.783  -9.783
  411   2HB   ASP  62           HB1      ASP  62  -5.342  -8.359  -8.359
  412    H    GLY  63           HN       GLY  63  -8.609  -7.580  -7.580
  413   1HA   GLY  63           HA2      GLY  63  -9.286  -8.324  -8.324
  414   2HA   GLY  63           HA1      GLY  63  -8.231  -9.723  -9.723
  415    H    THR  64           HN       THR  64  -6.249  -7.296  -7.296
  416    HA   THR  64           HA       THR  64  -5.469  -6.744  -6.744
  417    HB   THR  64           HB       THR  64  -3.082  -6.743  -6.743
  418    HG1  THR  64           HG1      THR  64  -3.209  -6.768  -6.768
  419   1HG2  THR  64          HG23      THR  64  -4.468  -8.679  -8.679
  420   2HG2  THR  64          HG22      THR  64  -4.241  -9.471  -9.471
  421   3HG2  THR  64          HG21      THR  64  -2.840  -8.967  -8.967
  422    H    TYR  65           HN       TYR  65  -4.654  -4.633  -4.633
  423    HA   TYR  65           HA       TYR  65  -4.853  -2.766  -2.766
  424   1HB   TYR  65           HB2      TYR  65  -5.749  -2.292  -2.292
  425   2HB   TYR  65           HB1      TYR  65  -5.800  -1.094  -1.094
  426    HD1  TYR  65           HD1      TYR  65  -6.818  -4.657  -4.657
  427    HD2  TYR  65           HD2      TYR  65  -7.770  -0.902  -0.902
  428    HE1  TYR  65           HE1      TYR  65  -8.923  -5.611  -5.611
  429    HE2  TYR  65           HE2      TYR  65  -9.882  -1.851  -1.851
  430    HH   TYR  65           HH       TYR  65 -10.515  -4.983  -4.983
  431    H    ASP  66           HN       ASP  66  -3.485  -0.847  -0.847
  432    HA   ASP  66           HA       ASP  66  -1.196  -1.234  -1.234
  433   1HB   ASP  66           HB2      ASP  66  -1.108  -0.361  -0.361
  434   2HB   ASP  66           HB1      ASP  66   0.278  -0.365  -0.365
  435    H    VAL  67           HN       VAL  67  -0.702   0.540   0.540
  436    HA   VAL  67           HA       VAL  67  -1.783   3.152   3.152
  437    HB   VAL  67           HB       VAL  67  -2.443   3.698   3.698
  438   1HG1  VAL  67          HG11      VAL  67  -3.703   1.759   1.759
  439   2HG1  VAL  67          HG13      VAL  67  -2.941   0.727   0.727
  440   3HG1  VAL  67          HG12      VAL  67  -4.030   2.021   2.021
  441   1HG2  VAL  67          HG21      VAL  67  -0.539   1.542   1.542
  442   2HG2  VAL  67          HG23      VAL  67  -0.706   3.166   3.166
  443   3HG2  VAL  67          HG22      VAL  67  -1.875   1.915   1.915
  444    H    GLU  68           HN       GLU  68  -0.265   4.951   4.951
  445    HA   GLU  68           HA       GLU  68   2.319   4.328   4.328
  446   1HB   GLU  68           HB2      GLU  68   2.261   5.243   5.243
  447   2HB   GLU  68           HB1      GLU  68   3.673   4.779   4.779
  448   1HG   GLU  68           HG2      GLU  68   3.302   2.825   2.825
  449   2HG   GLU  68           HG1      GLU  68   2.352   2.489   2.489
  450    H    PHE  69           HN       PHE  69   3.128   6.078   6.078
  451    HA   PHE  69           HA       PHE  69   2.602   8.751   8.751
  452   1HB   PHE  69           HB2      PHE  69   2.117   9.796   9.796
  453   2HB   PHE  69           HB1      PHE  69   1.014   8.435   8.435
  454    HD1  PHE  69           HD2      PHE  69   2.184   6.111   6.111
  455    HD2  PHE  69           HD1      PHE  69   3.094  10.069  10.069
  456    HE1  PHE  69           HE2      PHE  69   3.067   5.180   5.180
  457    HE2  PHE  69           HE1      PHE  69   3.968   9.129   9.129
  458    HZ   PHE  69           HZ       PHE  69   3.940   6.663   6.663
  459    H    GLU  70           HN       GLU  70   4.352  10.320  10.320
  460    HA   GLU  70           HA       GLU  70   6.734   9.100   9.100
  461   1HB   GLU  70           HB2      GLU  70   7.030   8.487   8.487
  462   2HB   GLU  70           HB1      GLU  70   6.661  10.127  10.127
  463   1HG   GLU  70           HG2      GLU  70   8.718  10.535  10.535
  464   2HG   GLU  70           HG1      GLU  70   9.180   9.018   9.018
  465    HA   PRO  71           HA       PRO  71   6.504  13.445  13.445
  466   1HB   PRO  71           HB2      PRO  71   7.839  13.030  13.030
  467   2HB   PRO  71           HB1      PRO  71   6.107  12.731  12.731
  468   1HG   PRO  71           HG2      PRO  71   8.335  10.769  10.769
  469   2HG   PRO  71           HG1      PRO  71   6.619  10.561  10.561
  470   1HD   PRO  71           HD2      PRO  71   7.943   9.653   9.653
  471   2HD   PRO  71           HD1      PRO  71   6.188   9.693   9.693
  472    H    LYS  72           HN       LYS  72   8.628  14.486  14.486
  473    HA   LYS  72           HA       LYS  72  11.121  13.989  13.989
  474   1HB   LYS  72           HB2      LYS  72  11.218  16.680  16.680
  475   2HB   LYS  72           HB1      LYS  72  10.563  15.771  15.771
  476   1HG   LYS  72           HG2      LYS  72   8.325  16.130  16.130
  477   2HG   LYS  72           HG1      LYS  72   8.814  16.627  16.627
  478   1HD   LYS  72           HD2      LYS  72   9.433  18.743  18.743
  479   2HD   LYS  72           HD1      LYS  72   9.851  18.209  18.209
  480   1HE   LYS  72           HE2      LYS  72   7.188  17.683  17.683
  481   2HE   LYS  72           HE1      LYS  72   7.233  19.067  19.067
  482   1HZ   LYS  72           HZ1      LYS  72   8.722  20.101  20.101
  483   2HZ   LYS  72           HZ3      LYS  72   8.089  18.907  18.907
  484   3HZ   LYS  72           HZ2      LYS  72   7.050  20.030  20.030
  485    H    GLU  73           HN       GLU  73   9.850  16.272  16.272
  486    HA   GLU  73           HA       GLU  73  12.419  16.033  16.033
  487   1HB   GLU  73           HB2      GLU  73  11.469  17.893  17.893
  488   2HB   GLU  73           HB1      GLU  73  11.501  18.265  18.265
  489   1HG   GLU  73           HG2      GLU  73   9.167  17.849  17.849
  490   2HG   GLU  73           HG1      GLU  73   9.061  17.066  17.066
  491    H    ALA  74           HN       ALA  74  10.493  16.752  16.752
  492    HA   ALA  74           HA       ALA  74  10.340  13.942  13.942
  493   1HB   ALA  74           HB3      ALA  74  10.860  16.454  16.454
  494   2HB   ALA  74           HB2      ALA  74   9.411  15.761  15.761
  495   3HB   ALA  74           HB1      ALA  74  10.919  14.844  14.844
  496    H    GLY  75           HN       GLY  75   8.424  12.865  12.865
  497   1HA   GLY  75           HA2      GLY  75   5.916  14.363  14.363
  498   2HA   GLY  75           HA1      GLY  75   6.143  13.515  13.515
  499    H    ASP  76           HN       ASP  76   4.079  12.981  12.981
  500    HA   ASP  76           HA       ASP  76   4.808  10.220  10.220
  501   1HB   ASP  76           HB2      ASP  76   3.143  10.395  10.395
  502   2HB   ASP  76           HB1      ASP  76   4.074  11.889  11.889
  503    H    TYR  77           HN       TYR  77   3.146   8.622   8.622
  504    HA   TYR  77           HA       TYR  77   1.495   9.462   9.462
  505   1HB   TYR  77           HB2      TYR  77   2.354   6.646   6.646
  506   2HB   TYR  77           HB1      TYR  77   1.712   7.285   7.285
  507    HD1  TYR  77           HD1      TYR  77   3.409   9.932   9.932
  508    HD2  TYR  77           HD2      TYR  77   4.304   5.739   5.739
  509    HE1  TYR  77           HE1      TYR  77   5.686  10.410  10.410
  510    HE2  TYR  77           HE2      TYR  77   6.574   6.207   6.207
  511    HH   TYR  77           HH       TYR  77   7.487   8.883   8.883
  512    H    VAL  78           HN       VAL  78  -0.589   9.033   9.033
  513    HA   VAL  78           HA       VAL  78  -1.720   7.407   7.407
  514    HB   VAL  78           HB       VAL  78  -2.548   9.560   9.560
  515   1HG1  VAL  78          HG13      VAL  78  -2.537   9.807   9.807
  516   2HG1  VAL  78          HG12      VAL  78  -3.576  10.866  10.866
  517   3HG1  VAL  78          HG11      VAL  78  -1.831  10.884  10.884
  518   1HG2  VAL  78          HG23      VAL  78  -4.283   7.654   7.654
  519   2HG2  VAL  78          HG22      VAL  78  -4.844   9.299   9.299
  520   3HG2  VAL  78          HG21      VAL  78  -4.692   8.707   8.707
  521    H    ILE  79           HN       ILE  79  -2.650   5.623   5.623
  522    HA   ILE  79           HA       ILE  79  -3.139   5.515   5.515
  523    HB   ILE  79           HB       ILE  79  -3.336   2.943   2.943
  524   1HG1  ILE  79          HG12      ILE  79  -0.714   4.442   4.442
  525   2HG1  ILE  79          HG11      ILE  79  -1.794   3.991   3.991
  526   1HG2  ILE  79          HG21      ILE  79  -2.823   3.688   3.688
  527   2HG2  ILE  79          HG23      ILE  79  -1.160   3.815   3.815
  528   3HG2  ILE  79          HG22      ILE  79  -2.005   2.270   2.270
  529   1HD1  ILE  79          HD12      ILE  79  -1.063   1.772   1.772
  530   2HD1  ILE  79          HD11      ILE  79   0.275   2.440   2.440
  531   3HD1  ILE  79          HD13      ILE  79  -1.148   1.811   1.811
  532    H    ASN  80           HN       ASN  80  -4.867   4.378   4.378
  533    HA   ASN  80           HA       ASN  80  -7.193   3.887   3.887
  534   1HB   ASN  80           HB2      ASN  80  -7.528   5.643   5.643
  535   2HB   ASN  80           HB1      ASN  80  -8.625   5.411   5.411
  536   1HD2  ASN  80          HD22      ASN  80  -6.740   7.586   7.586
  537   2HD2  ASN  80          HD21      ASN  80  -7.626   6.139   6.139
  538    H    LEU  81           HN       LEU  81  -7.693   1.887   1.887
  539    HA   LEU  81           HA       LEU  81  -8.004   1.332   1.332
  540   1HB   LEU  81           HB2      LEU  81  -5.903   0.300   0.300
  541   2HB   LEU  81           HB1      LEU  81  -6.254  -0.167  -0.167
  542    HG   LEU  81           HG       LEU  81  -7.990  -1.284  -1.284
  543   1HD1  LEU  81          HD12      LEU  81  -5.093  -1.742  -1.742
  544   2HD1  LEU  81          HD11      LEU  81  -6.076  -3.207  -3.207
  545   3HD1  LEU  81          HD13      LEU  81  -6.149  -2.071  -2.071
  546   1HD2  LEU  81          HD22      LEU  81  -7.223  -1.762  -1.762
  547   2HD2  LEU  81          HD21      LEU  81  -8.709  -2.196  -2.196
  548   3HD2  LEU  81          HD23      LEU  81  -7.285  -3.225  -3.225
  549    H    THR  82           HN       THR  82  -9.978   0.496   0.496
  550    HA   THR  82           HA       THR  82 -11.174  -0.997  -0.997
  551    HB   THR  82           HB       THR  82 -13.329   0.271   0.271
  552    HG1  THR  82           HG1      THR  82 -11.592   1.319   1.319
  553   1HG2  THR  82          HG23      THR  82 -11.482   0.724   0.724
  554   2HG2  THR  82          HG22      THR  82 -11.307   2.222   2.222
  555   3HG2  THR  82          HG21      THR  82 -12.869   1.788   1.788
  556    H    LEU  83           HN       LEU  83 -12.408  -2.726  -2.726
  557    HA   LEU  83           HA       LEU  83 -13.258  -3.068  -3.068
  558   1HB   LEU  83           HB2      LEU  83 -11.059  -4.305  -4.305
  559   2HB   LEU  83           HB1      LEU  83 -11.992  -5.347  -5.347
  560    HG   LEU  83           HG       LEU  83 -11.675  -6.166  -6.166
  561   1HD1  LEU  83          HD11      LEU  83 -13.421  -6.961  -6.961
  562   2HD1  LEU  83          HD13      LEU  83 -14.550  -5.850  -5.850
  563   3HD1  LEU  83          HD12      LEU  83 -13.848  -7.175  -7.175
  564   1HD2  LEU  83          HD21      LEU  83 -12.442  -3.681  -3.681
  565   2HD2  LEU  83          HD23      LEU  83 -12.748  -5.080  -5.080
  566   3HD2  LEU  83          HD22      LEU  83 -14.026  -4.455  -4.455
  567    H    ASP  84           HN       ASP  84 -15.284  -2.433  -2.433
  568    HA   ASP  84           HA       ASP  84 -17.329  -4.056  -4.056
  569   1HB   ASP  84           HB2      ASP  84 -15.615  -4.828  -4.828
  570   2HB   ASP  84           HB1      ASP  84 -17.371  -4.913  -4.913
  571    H    GLY  85           HN       GLY  85 -15.515  -1.716  -1.716
  572   1HA   GLY  85           HA2      GLY  85 -16.984   0.412   0.412
  573   2HA   GLY  85           HA1      GLY  85 -17.991  -0.640  -0.640
  574    H    ASP  86           HN       ASP  86 -14.922  -1.775  -1.775
  575    HA   ASP  86           HA       ASP  86 -14.389   0.175   0.175
  576   1HB   ASP  86           HB2      ASP  86 -15.209  -2.493  -2.493
  577   2HB   ASP  86           HB1      ASP  86 -13.464  -2.530  -2.530
  578    H    ASN  87           HN       ASN  87 -11.951  -0.251  -0.251
  579    HA   ASN  87           HA       ASN  87 -10.388  -0.585  -0.585
  580   1HB   ASN  87           HB2      ASN  87  -8.614   0.646   0.646
  581   2HB   ASN  87           HB1      ASN  87  -9.878   1.569   1.569
  582   1HD2  ASN  87          HD22      ASN  87 -10.951   2.835   2.835
  583   2HD2  ASN  87          HD21      ASN  87 -10.573   3.140   3.140
  584    H    VAL  88           HN       VAL  88  -8.286  -1.602  -1.602
  585    HA   VAL  88           HA       VAL  88  -8.484  -4.040  -4.040
  586    HB   VAL  88           HB       VAL  88  -6.390  -2.750  -2.750
  587   1HG1  VAL  88          HG13      VAL  88  -5.144  -3.688  -3.688
  588   2HG1  VAL  88          HG12      VAL  88  -5.899  -5.251  -5.251
  589   3HG1  VAL  88          HG11      VAL  88  -4.803  -4.551  -4.551
  590   1HG2  VAL  88          HG21      VAL  88  -7.796  -5.429  -5.429
  591   2HG2  VAL  88          HG23      VAL  88  -8.185  -4.085  -4.085
  592   3HG2  VAL  88          HG22      VAL  88  -6.650  -4.936  -4.936
  593    H    ASN  89           HN       ASN  89  -6.589  -4.713  -4.713
  594    HA   ASN  89           HA       ASN  89  -6.629  -2.760  -2.760
  595   1HB   ASN  89           HB2      ASN  89  -5.534  -5.558  -5.558
  596   2HB   ASN  89           HB1      ASN  89  -5.287  -4.591  -4.591
  597   1HD2  ASN  89          HD22      ASN  89  -8.371  -5.898  -5.898
  598   2HD2  ASN  89          HD21      ASN  89  -6.693  -5.812  -5.812
  599    H    GLY  90           HN       GLY  90  -4.983  -2.167  -2.167
  600   1HA   GLY  90           HA2      GLY  90  -2.563  -1.351  -1.351
  601   2HA   GLY  90           HA1      GLY  90  -2.300  -2.358  -2.358
  602    H    PHE  91           HN       PHE  91  -5.005  -0.195  -0.195
  603    HA   PHE  91           HA       PHE  91  -3.523   1.539   1.539
  604   1HB   PHE  91           HB2      PHE  91  -6.127   0.206   0.206
  605   2HB   PHE  91           HB1      PHE  91  -6.078   1.873   1.873
  606    HD1  PHE  91           HD1      PHE  91  -4.273  -1.369  -1.369
  607    HD2  PHE  91           HD2      PHE  91  -5.036   2.388   2.388
  608    HE1  PHE  91           HE1      PHE  91  -2.958  -2.097  -2.097
  609    HE2  PHE  91           HE2      PHE  91  -3.730   1.673   1.673
  610    HZ   PHE  91           HZ       PHE  91  -2.694  -0.591  -0.591
  611    HA   PRO  92           HA       PRO  92  -6.355   4.584   4.584
  612   1HB   PRO  92           HB2      PRO  92  -7.552   3.800   3.800
  613   2HB   PRO  92           HB1      PRO  92  -8.348   3.750   3.750
  614   1HG   PRO  92           HG2      PRO  92  -7.235   1.504   1.504
  615   2HG   PRO  92           HG1      PRO  92  -8.541   1.488   1.488
  616   1HD   PRO  92           HD2      PRO  92  -5.909   0.613   0.613
  617   2HD   PRO  92           HD1      PRO  92  -7.095   0.952   0.952
  618    H    LYS  93           HN       LYS  93  -3.782   2.926   2.926
  619    HA   LYS  93           HA       LYS  93  -3.156   4.297   4.297
  620   1HB   LYS  93           HB2      LYS  93  -2.685   1.770   1.770
  621   2HB   LYS  93           HB1      LYS  93  -1.356   2.367   2.367
  622   1HG   LYS  93           HG2      LYS  93  -0.597   3.703   3.703
  623   2HG   LYS  93           HG1      LYS  93  -1.782   2.796   2.796
  624   1HD   LYS  93           HD2      LYS  93  -0.591   0.726   0.726
  625   2HD   LYS  93           HD1      LYS  93   0.758   1.862   1.862
  626   1HE   LYS  93           HE2      LYS  93   1.127   1.736   1.736
  627   2HE   LYS  93           HE1      LYS  93  -0.594   1.840   1.840
  628   1HZ   LYS  93           HZ3      LYS  93   0.399  -0.628  -0.628
  629   2HZ   LYS  93           HZ2      LYS  93   0.771  -0.348  -0.348
  630   3HZ   LYS  93           HZ1      LYS  93  -0.850  -0.403  -0.403
  631    H    THR  94           HN       THR  94  -1.068   5.399   5.399
  632    HA   THR  94           HA       THR  94  -0.444   6.663   6.663
  633    HB   THR  94           HB       THR  94  -0.087   7.849   7.849
  634    HG1  THR  94           HG1      THR  94  -2.310   7.383   7.383
  635   1HG2  THR  94          HG22      THR  94   0.036   8.993   8.993
  636   2HG2  THR  94          HG21      THR  94   0.102   9.954   9.954
  637   3HG2  THR  94          HG23      THR  94   1.385   8.799   8.799
  638    H    VAL  95           HN       VAL  95   1.542   6.349   6.349
  639    HA   VAL  95           HA       VAL  95   3.542   5.272   5.272
  640    HB   VAL  95           HB       VAL  95   3.316   5.134   5.134
  641   1HG1  VAL  95          HG12      VAL  95   5.707   5.759   5.759
  642   2HG1  VAL  95          HG11      VAL  95   5.730   4.080   4.080
  643   3HG1  VAL  95          HG13      VAL  95   5.523   4.464   4.464
  644   1HG2  VAL  95          HG22      VAL  95   2.269   3.427   3.427
  645   2HG2  VAL  95          HG21      VAL  95   3.424   2.768   2.768
  646   3HG2  VAL  95          HG23      VAL  95   3.901   3.007   3.007
  647    H    THR  96           HN       THR  96   5.736   6.312   6.312
  648    HA   THR  96           HA       THR  96   5.485   9.141   9.141
  649    HB   THR  96           HB       THR  96   6.865   8.124   8.124
  650    HG1  THR  96           HG1      THR  96   5.020   8.444   8.444
  651   1HG2  THR  96          HG23      THR  96   7.750  10.232  10.232
  652   2HG2  THR  96          HG22      THR  96   6.243  10.987  10.987
  653   3HG2  THR  96          HG21      THR  96   7.379  10.369  10.369
  654    H    VAL  97           HN       VAL  97   7.112  10.090  10.090
  655    HA   VAL  97           HA       VAL  97   9.706   8.636   8.636
  656    HB   VAL  97           HB       VAL  97   8.013  10.101  10.101
  657   1HG1  VAL  97          HG11      VAL  97  11.028   9.857   9.857
  658   2HG1  VAL  97          HG13      VAL  97  10.078  10.161  10.161
  659   3HG1  VAL  97          HG12      VAL  97  10.075  11.338  11.338
  660   1HG2  VAL  97          HG22      VAL  97   9.594   7.544   7.544
  661   2HG2  VAL  97          HG21      VAL  97   7.916   7.771   7.771
  662   3HG2  VAL  97          HG23      VAL  97   9.223   8.249   8.249
  663    H    LYS  98           HN       LYS  98  11.558   9.982   9.982
  664    HA   LYS  98           HA       LYS  98  10.986  12.514  12.514
  665   1HB   LYS  98           HB2      LYS  98  13.775  11.514  11.514
  666   2HB   LYS  98           HB1      LYS  98  12.980  12.178  12.178
  667   1HG   LYS  98           HG2      LYS  98  11.542   9.931   9.931
  668   2HG   LYS  98           HG1      LYS  98  13.031   9.372   9.372
  669   1HD   LYS  98           HD2      LYS  98  14.095  10.607  10.607
  670   2HD   LYS  98           HD1      LYS  98  12.529  10.166  10.166
  671   1HE   LYS  98           HE2      LYS  98  14.612   8.328   8.328
  672   2HE   LYS  98           HE1      LYS  98  13.978   8.319   8.319
  673   1HZ   LYS  98           HZ1      LYS  98  11.728   7.990   7.990
  674   2HZ   LYS  98           HZ3      LYS  98  12.751   7.348   7.348
  675   3HZ   LYS  98           HZ2      LYS  98  12.734   6.670   6.670
  676    HA   PRO  99           HA       PRO  99  12.539  15.268  15.268
  677   1HB   PRO  99           HB2      PRO  99  14.863  16.437  16.437
  678   2HB   PRO  99           HB1      PRO  99  13.235  16.855  16.855
  679   1HG   PRO  99           HG2      PRO  99  15.333  15.223  15.223
  680   2HG   PRO  99           HG1      PRO  99  14.038  16.203  16.203
  681   1HD   PRO  99           HD2      PRO  99  14.019  13.420  13.420
  682   2HD   PRO  99           HD1      PRO  99  12.580  14.420  14.420
  683    H    ALA 100           HN       ALA 100  12.957  13.907  13.907
  684    HA   ALA 100           HA       ALA 100  15.084  12.214  12.214
  685   1HB   ALA 100           HB2      ALA 100  12.937  12.945  12.945
  686   2HB   ALA 100           HB1      ALA 100  14.101  13.972  13.972
  687   3HB   ALA 100           HB3      ALA 100  14.327  12.223  12.223