*HEADER    VIRUS/VIRAL PROTEIN                     17-OCT-05   2BBP              
*TITLE     NMR STRUCTURES OF THE PEPTIDE LINKED TO THE GENOME (VPG) OF           
*TITLE    2 POLIOVIRUS                                                           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GENOME LINKED PROTEIN VPG;                                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 1-22;                                             
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS SEQUENCE OCCURS NATURALLY IN HUMAN               
*SOURCE   4 POLIOVIRUS SEROTYPE 1.                                               
*KEYWDS    VPG, RNA TRANSCRIPTION PRIMER, FLEXIBLE STRUCTURE, VIRAL              
*KEYWDS   2 POLYMERASE, PICORNAVIRUS                                             
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    C.H.SCHEIN, N.OEZGUEN                                                 
*REVDAT   1   28-MAR-06 2BBP    0                                                

 12 ASN  
         HN     12 ASN  HA      3.95  0.50E+01
  3 TYR  
         HN      3 TYR  HA      5.00  0.50E+01
  8 ASN  
         HN      8 ASN  HA      3.88  0.50E+01
 10 LYS  
         HN      6 LEU  HA      5.00  0.50E+01
  9 LYS  
         HN      6 LEU  HA      3.24  0.50E+01
 10 LYS  
         HN     10 LYS  HA      4.04  0.50E+01
 15 THR  
         HN     14 PRO  HA      2.81  0.50E+01
  4 THR  
         HN     17 ARG  HA      3.56  0.50E+01
 17 ARG  
         HN     17 ARG  HA      4.38  0.50E+01
 18 THR  
         HN     17 ARG  HA      3.02  0.50E+01
 12 ASN  
         HN     11 PRO  HA      2.86  0.50E+01
  8 ASN  
         HN      7 PRO  HA      3.09  0.50E+01
  9 LYS  
         HN     11 PRO  HA      4.86  0.50E+01
  3 TYR  
         HN     18 THR  HA      4.62  0.50E+01
  8 ASN  
         HN      9 LYS  HA      3.55  0.50E+01
 10 LYS  
         HN      9 LYS  HA      2.81  0.50E+01
 18 THR  
         HN     18 THR  HA      3.79  0.50E+01
  6 LEU  
         HN      4 THR  HA      4.66  0.50E+01
  4 THR  
         HN      4 THR  HA      5.00  0.50E+01
 17 ARG  
         HN     15 THR  HA      4.25  0.50E+01
 16 ILE  
         HN     15 THR  HA      2.68  0.50E+01
  4 THR  
         HN      4 THR  HB      4.38  0.50E+01
  2 ALA  
         HN     18 THR  HB      3.86  0.50E+01
 18 THR  
         HN     18 THR  HB      3.92  0.50E+01
 17 ARG  
         HN     16 ILE  HA      2.78  0.50E+01
 16 ILE  
         HN     16 ILE  HA      4.08  0.50E+01
 15 THR  
         HN     15 THR  HB      3.57  0.50E+01
 20 LYS  
         HN     15 THR  HB      3.52  0.50E+01
 16 ILE  
         HN     15 THR  HB      4.46  0.50E+01
 21 VAL  
         HN     21 VAL  HA      3.74  0.50E+01
 22 GLN  
         HN     21 VAL  HA      3.54  0.50E+01
 10 LYS  
         HN     11 PRO  HD2     5.00  0.50E+01
 20 LYS  
         HN     14 PRO  HD3     5.00  0.50E+01
 12 ASN  
         HN     12 ASN  HB3     3.54  0.50E+01
         HN     11 PRO  HB2     4.82  0.50E+01
         HN     11 PRO  QG      5.28  0.50E+01
 21 VAL  
         HN     21 VAL  HB      4.41  0.50E+01
 16 ILE  
         HN     16 ILE  HB      3.24  0.50E+01
  9 LYS  
         HN      9 LYS  HB3     3.52  0.50E+01
  6 LEU  
         HN      6 LEU  HB3     3.19  0.50E+01
  4 THR  
         HN     17 ARG  HG2     3.52  0.50E+01
         HN     17 ARG  HG3     3.19  0.50E+01
 18 THR  
         HN     18 THR  QG2     5.35  0.50E+01
 13 VAL  
         HN     13 VAL  QG1     5.47  0.50E+01
  4 THR  
         HN     13 VAL  QG2     4.68  0.50E+01
 13 VAL  
         HN     13 VAL  QG2     4.74  0.50E+01
 16 ILE  
         HN     16 ILE  QG2     5.11  0.50E+01
  2 ALA  
         HN     16 ILE  QG2     6.00  0.50E+01
 17 ARG  
         HN     16 ILE  QG2     5.23  0.50E+01
         HN     17 ARG  HB3     3.55  0.50E+01
  9 LYS  
         HN      8 ASN  QB      5.65  0.50E+01
 13 VAL  
         HN     13 VAL  HB      3.64  0.50E+01
  4 THR  
         HN     13 VAL  HB      3.57  0.50E+01
  2 ALA  
         HN      2 ALA  QB      4.34  0.50E+01
 20 LYS  
         HN     20 LYS  QD      4.49  0.50E+01
  2 ALA  
         HN     17 ARG  HB2     4.06  0.50E+01
 15 THR  
         HN     14 PRO  HB3     5.00  0.50E+01
 21 VAL  
         HN     19 ALA  QB      6.00  0.50E+01
         HN     20 LYS  QB      5.15  0.50E+01
         HN     21 VAL  QG1     6.00  0.50E+01
 18 THR  
         HN     16 ILE  QG2     6.00  0.50E+01
  4 THR  
         HN      2 ALA  QB      6.00  0.50E+01
  8 ASN  
         HN      7 PRO  HG2     5.00  0.50E+01
         HN     11 PRO  HB3     5.00  0.50E+01
         HN      9 LYS  QD      5.88  0.50E+01
 17 ARG  
         HN     16 ILE  HG12    5.00  0.50E+01
 19 ALA  
         HN     18 THR  QG2     6.00  0.50E+01
 17 ARG  
         HN     18 THR  QG2     6.00  0.50E+01
 20 LYS  
         HN     18 THR  QG2     4.87  0.50E+01
 15 THR  
         HN     15 THR  QG2     5.01  0.50E+01
 18 THR  
         HN     17 ARG  HB2     4.43  0.50E+01
         HN     16 ILE  HB      4.43  0.50E+01
         HN     17 ARG  HB3     4.80  0.50E+01
  6 LEU  
         HN      7 PRO  QB      6.00  0.50E+01
  4 THR  
         HN     17 ARG  HB2     5.00  0.50E+01
 10 LYS  
         HN     10 LYS  QG      5.02  0.50E+01
         HN      9 LYS  QG      5.12  0.50E+01
  4 THR  
         HN      4 THR  HG21    5.00  0.50E+01
 12 ASN  
         HN     13 VAL  HN      4.42  0.50E+01
 17 ARG  
         HN     16 ILE  HN      4.67  0.50E+01
         HN     18 THR  HN      4.73  0.50E+01
  8 ASN  
         HN      9 LYS  HN      4.94  0.50E+01
 10 LYS  
         HN      9 LYS  HN      4.69  0.50E+01
 21 VAL  
         HN     22 GLN  HN      5.00  0.50E+01
 18 THR  
         HN     20 LYS  HN      4.26  0.50E+01
 16 ILE  
         HN     10 LYS  HN      2.75  0.50E+01
 21 VAL  
         HN     20 LYS  HN      4.01  0.50E+01
 12 ASN  
         HN     12 ASN  HD21    5.00  0.50E+01
  8 ASN  
         HN      8 ASN  HD21    5.00  0.50E+01
  2 ALA  
         HN      3 TYR  HN      5.00  0.50E+01
  3 TYR  
         HA      3 TYR  HB2     3.45  0.50E+01
 14 PRO  
         HA     14 PRO  HB2     3.17  0.50E+01
 11 PRO  
         HA     11 PRO  HB2     2.87  0.50E+01
  7 PRO  
         HA      7 PRO  HG3     3.03  0.50E+01
 11 PRO  
         HA     11 PRO  QG      6.00  0.50E+01
 10 LYS  
         HA     11 PRO  HD3     2.99  0.50E+01
  6 LEU  
         HA      7 PRO  HD3     3.19  0.50E+01
 10 LYS  
         HA     11 PRO  HD2     2.93  0.50E+01
 17 ARG  
         HA     14 PRO  HD3     2.87  0.50E+01
 20 LYS  
         HA     20 LYS  QB      3.81  0.50E+01
 18 THR  
         HA      2 ALA  QB      4.02  0.50E+01
  9 LYS  
         HA      6 LEU  QD2     5.72  0.50E+01
         HA     16 ILE  QD1     5.71  0.50E+01
 15 THR  
         HB     18 THR  QG2     3.99  0.50E+01
 18 THR  
         HB     18 THR  QG2     4.02  0.50E+01
 21 VAL  
         HA     20 LYS  QG      5.83  0.50E+01
 22 GLN  
         HA     22 GLN  QB      5.21  0.50E+01
         HA     21 VAL  HB      4.21  0.50E+01
  2 ALA  
         HA     17 ARG  QD      5.18  0.50E+01
 20 LYS  
         HA     20 LYS  QE      6.00  0.50E+01
  4 THR  
         HA     17 ARG  QD      6.00  0.50E+01
         HA      4 THR  HG21    3.16  0.50E+01
 15 THR  
         HA     18 THR  QG2     4.26  0.50E+01
 14 PRO  
         HA     14 PRO  HG2     3.76  0.50E+01
 13 VAL  
         HA     14 PRO  HG2     3.72  0.50E+01
  6 LEU  
         HA      6 LEU  QD2     4.65  0.50E+01
         HA      6 LEU  HG      4.03  0.50E+01
 16 ILE  
         HA      6 LEU  HG      4.95  0.50E+01
 21 VAL  
         HA     21 VAL  QG1     5.13  0.50E+01
 16 ILE  
         HA     16 ILE  QG2     4.23  0.50E+01
 14 PRO  
         HD2    14 PRO  HB2     4.07  0.50E+01
         HD2    14 PRO  HG3     3.18  0.50E+01
         HD2    19 ALA  QB      5.55  0.50E+01
         HD2    13 VAL  QG1     4.75  0.50E+01
  7 PRO  
         HD2    16 ILE  QD1     5.30  0.50E+01
 11 PRO  
         HD2    11 PRO  QG      5.45  0.50E+01
         HD2    16 ILE  QD1     6.00  0.50E+01
         HD2    11 PRO  HB3     3.20  0.50E+01
 14 PRO  
         HD3    14 PRO  HB3     3.18  0.50E+01
 11 PRO  
         HD3    11 PRO  HB3     2.85  0.50E+01
         HD3    11 PRO  QG      4.12  0.50E+01
 14 PRO  
         HD3    14 PRO  HG2     3.79  0.50E+01
 11 PRO  
         HD3    10 LYS  QD      5.21  0.50E+01
 14 PRO  
         HD3    13 VAL  QG1     4.77  0.50E+01
 11 PRO  
         HD3    13 VAL  QG2     5.07  0.50E+01
         HD3    11 PRO  HB2     4.29  0.50E+01
 14 PRO  
         HD3    14 PRO  HB2     4.68  0.50E+01
 15 THR  
         HA     19 ALA  QB      5.06  0.50E+01
 17 ARG  
         HA     13 VAL  QG2     4.24  0.50E+01
         HA     13 VAL  QG1     4.28  0.50E+01
 11 PRO  
         HA      9 LYS  QG      5.66  0.50E+01
 17 ARG  
         HA      2 ALA  QB      5.54  0.50E+01
 14 PRO  
         HA     19 ALA  QB      5.60  0.50E+01
 10 LYS  
         HA     10 LYS  QB      4.02  0.50E+01
 17 ARG  
         HA     17 ARG  HB2     3.26  0.50E+01
 21 VAL  
         HA     17 ARG  HG2     5.00  0.50E+01
         HA     17 ARG  HB2     4.42  0.50E+01
  4 THR  
         HB     17 ARG  HB2     4.01  0.50E+01
 12 ASN  
         HD21   12 ASN  HD22    2.58  0.50E+01
  8 ASN  
         HD21    8 ASN  HD22    2.58  0.50E+01
  7 PRO  
         HD2     7 PRO  HD3     2.20  0.50E+01
 11 PRO  
         HD2    11 PRO  HD3     2.42  0.50E+01
 14 PRO  
         HD3    14 PRO  HD2     2.39  0.50E+01
  7 PRO  
         HD3     7 PRO  HD2     2.31  0.50E+01
 11 PRO  
         HD3    11 PRO  HD2     2.22  0.50E+01
  7 PRO  
         HD3     5 GLY  HA1     2.57  0.50E+01
 14 PRO  
         HD3    17 ARG  HA      2.99  0.50E+01
 11 PRO  
         HD3    10 LYS  HA      2.91  0.50E+01
         HD2    10 LYS  HA      2.84  0.50E+01
 16 ILE  
         HG12   16 ILE  HG13    2.75  0.50E+01
         HG12   16 ILE  QD1     4.46  0.50E+01
         HG13   16 ILE  QD1     6.00  0.50E+01
 13 VAL  
         HB     13 VAL  QG2     4.23  0.50E+01
 16 ILE  
         HB     16 ILE  HG13    4.51  0.50E+01
         HB     16 ILE  QG2     4.05  0.50E+01
 17 ARG  
         HG2    13 VAL  QG2     6.00  0.50E+01
         HB3    17 ARG  HG3     5.00  0.50E+01
         HG3    17 ARG  HB2     2.88  0.50E+01
 16 ILE  
         HG12   10 LYS  QB      3.56  0.50E+01
 10 LYS  
         QG      9 LYS  QD      4.27  0.50E+01
 14 PRO  
         HG2    14 PRO  HB2     2.21  0.50E+01
  7 PRO  
         HG3     7 PRO  QB      4.80  0.50E+01
 

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1          1H        GLY   1   9.684  10.547   3.398
    2   1HA   GLY   1          1HA       GLY   1  10.643   8.036   4.639
    3   2HA   GLY   1          2HA       GLY   1   8.963   8.532   4.566
    4    H    ALA   2           H        ALA   2   7.728   7.811   2.873
    5    HA   ALA   2           HA       ALA   2   8.918   7.398   0.295
    6   1HB   ALA   2          1HB       ALA   2   7.926   4.930   0.425
    7   2HB   ALA   2          2HB       ALA   2   9.588   5.284   0.955
    8   3HB   ALA   2          3HB       ALA   2   8.285   5.127   2.157
    9    H    TYR   3           H        TYR   3   6.094   6.319   2.326
   10    HA   TYR   3           HA       TYR   3   3.907   6.403   1.932
   11   1HB   TYR   3          1HB       TYR   3   4.293   8.993   0.406
   12   2HB   TYR   3          2HB       TYR   3   3.206   8.675   1.744
   13    HD1  TYR   3           HD1      TYR   3   6.001  10.495   0.824
   14    HD2  TYR   3           HD2      TYR   3   4.581   8.055   4.039
   15    HE1  TYR   3           HE1      TYR   3   7.618  11.641   2.417
   16    HE2  TYR   3           HE2      TYR   3   6.202   9.209   5.621
   17    HH   TYR   3           HH       TYR   3   7.399  11.880   5.340
   18    H    THR   4           H        THR   4   3.647   4.693   0.426
   19    HA   THR   4           HA       THR   4   3.158   5.645  -2.307
   20    HB   THR   4           HB       THR   4   4.649   3.085  -1.520
   21    HG1  THR   4           HG1      THR   4   6.336   4.512  -1.598
   22   1HG2  THR   4          1HG2      THR   4   3.450   2.896  -3.704
   23   2HG2  THR   4          2HG2      THR   4   4.154   4.447  -4.221
   24   3HG2  THR   4          3HG2      THR   4   5.205   3.035  -3.959
   25    H    GLY   5           H        GLY   5   1.393   4.759  -3.351
   26   1HA   GLY   5          1HA       GLY   5  -0.546   3.638  -3.574
   27   2HA   GLY   5          2HA       GLY   5   0.049   2.443  -2.439
   28    H    LEU   6           H        LEU   6  -1.836   5.414  -2.849
   29    HA   LEU   6           HA       LEU   6  -2.960   4.958  -0.199
   30   1HB   LEU   6          1HB       LEU   6  -1.082   6.800  -0.350
   31   2HB   LEU   6          2HB       LEU   6  -2.377   7.768  -1.027
   32    HG   LEU   6           HG       LEU   6  -2.586   6.362   1.645
   33   1HD1  LEU   6          1HD1      LEU   6  -0.711   7.955   1.676
   34   2HD1  LEU   6          2HD1      LEU   6  -1.808   9.245   1.127
   35   3HD1  LEU   6          3HD1      LEU   6  -2.058   8.477   2.714
   36   1HD2  LEU   6          1HD2      LEU   6  -4.392   8.063   2.012
   37   2HD2  LEU   6          2HD2      LEU   6  -4.247   8.500   0.293
   38   3HD2  LEU   6          3HD2      LEU   6  -4.743   6.854   0.754
   39    HA   PRO   7           HA       PRO   7  -5.936   5.703  -3.588
   40   1HB   PRO   7          1HB       PRO   7  -7.075   3.223  -3.728
   41   2HB   PRO   7          2HB       PRO   7  -5.792   3.751  -4.800
   42   1HG   PRO   7          1HG       PRO   7  -5.642   1.893  -2.505
   43   2HG   PRO   7          2HG       PRO   7  -4.506   2.104  -3.824
   44   1HD   PRO   7          1HD       PRO   7  -4.222   3.079  -1.141
   45   2HD   PRO   7          2HD       PRO   7  -3.144   3.388  -2.488
   46    H    ASN   8           H        ASN   8  -6.015   4.405  -0.438
   47    HA   ASN   8           HA       ASN   8  -8.304   5.945   0.112
   48   1HB   ASN   8          1HB       ASN   8  -9.402   3.921  -0.902
   49   2HB   ASN   8          2HB       ASN   8  -8.577   2.896   0.256
   50   1HD2  ASN   8          1HD2      ASN   8 -10.759   5.675  -0.016
   51   2HD2  ASN   8          2HD2      ASN   8 -11.691   5.373   1.412
   52    H    LYS   9           H        LYS   9  -6.280   3.071   1.024
   53    HA   LYS   9           HA       LYS   9  -5.223   4.313   3.294
   54   1HB   LYS   9          1HB       LYS   9  -6.304   2.908   5.050
   55   2HB   LYS   9          2HB       LYS   9  -7.360   4.111   4.338
   56   1HG   LYS   9          1HG       LYS   9  -8.817   2.386   4.020
   57   2HG   LYS   9          2HG       LYS   9  -7.802   1.959   2.657
   58   1HD   LYS   9          1HD       LYS   9  -6.417   0.504   4.198
   59   2HD   LYS   9          2HD       LYS   9  -7.529   0.875   5.501
   60   1HE   LYS   9          1HE       LYS   9  -9.417  -0.083   4.132
   61   2HE   LYS   9          2HE       LYS   9  -8.270  -0.500   2.873
   62   1HZ   LYS   9          1HZ       LYS   9  -8.753  -2.341   4.473
   63   2HZ   LYS   9          2HZ       LYS   9  -7.164  -1.999   4.373
   64    H    LYS  10           H        LYS  10  -3.460   3.121   4.096
   65    HA   LYS  10           HA       LYS  10  -1.913   1.677   2.697
   66   1HB   LYS  10          1HB       LYS  10  -1.279   0.292   4.677
   67   2HB   LYS  10          2HB       LYS  10  -1.411   2.009   5.004
   68   1HG   LYS  10          1HG       LYS  10  -4.010   0.779   5.409
   69   2HG   LYS  10          2HG       LYS  10  -2.807  -0.143   6.291
   70   1HD   LYS  10          1HD       LYS  10  -1.984   1.946   7.378
   71   2HD   LYS  10          2HD       LYS  10  -3.155   2.888   6.475
   72   1HE   LYS  10          1HE       LYS  10  -5.020   1.622   7.557
   73   2HE   LYS  10          2HE       LYS  10  -3.856   0.661   8.449
   74   1HZ   LYS  10          1HZ       LYS  10  -4.748   2.616   9.700
   75   2HZ   LYS  10          2HZ       LYS  10  -3.122   2.621   9.608
   76    HA   PRO  11           HA       PRO  11  -4.599  -1.486   1.146
   77   1HB   PRO  11          1HB       PRO  11  -3.377  -1.755  -1.284
   78   2HB   PRO  11          2HB       PRO  11  -4.694  -0.636  -0.992
   79   1HG   PRO  11          1HG       PRO  11  -1.809  -0.066  -1.299
   80   2HG   PRO  11          2HG       PRO  11  -3.167   1.035  -1.432
   81   1HD   PRO  11          1HD       PRO  11  -1.362   0.795   0.785
   82   2HD   PRO  11          2HD       PRO  11  -2.786   1.812   0.698
   83    H    ASN  12           H        ASN  12  -1.331  -1.863  -0.124
   84    HA   ASN  12           HA       ASN  12  -1.391  -4.503   1.075
   85   1HB   ASN  12          1HB       ASN  12   0.420  -3.275  -1.071
   86   2HB   ASN  12          2HB       ASN  12   0.603  -4.909  -0.465
   87   1HD2  ASN  12          1HD2      ASN  12  -1.333  -2.709  -2.334
   88   2HD2  ASN  12          2HD2      ASN  12  -2.360  -3.867  -3.110
   89    H    VAL  13           H        VAL  13   0.261  -1.344   0.999
   90    HA   VAL  13           HA       VAL  13   2.631  -2.087   2.290
   91    HB   VAL  13           HB       VAL  13   3.034   0.199   2.475
   92   1HG1  VAL  13          1HG1      VAL  13   2.516  -0.759   0.109
   93   2HG1  VAL  13          2HG1      VAL  13   1.069   0.275   0.193
   94   3HG1  VAL  13          3HG1      VAL  13   2.690   1.001   0.315
   95   1HG2  VAL  13          1HG2      VAL  13   0.030   0.539   2.572
   96   2HG2  VAL  13          2HG2      VAL  13   1.243   0.996   3.793
   97   3HG2  VAL  13          3HG2      VAL  13   1.135   1.901   2.264
   98    HA   PRO  14           HA       PRO  14   1.437  -2.424   6.427
   99   1HB   PRO  14          1HB       PRO  14   3.552  -1.379   7.808
  100   2HB   PRO  14          2HB       PRO  14   3.562  -2.987   7.110
  101   1HG   PRO  14          1HG       PRO  14   4.924  -0.543   6.155
  102   2HG   PRO  14          2HG       PRO  14   5.250  -2.215   5.741
  103   1HD   PRO  14          1HD       PRO  14   3.874  -0.284   4.128
  104   2HD   PRO  14          2HD       PRO  14   4.098  -1.984   3.764
  105    H    THR  15           H        THR  15   2.926   0.771   6.121
  106    HA   THR  15           HA       THR  15   0.442   1.977   6.939
  107    HB   THR  15           HB       THR  15   2.934   2.045   8.721
  108    HG1  THR  15           HG1      THR  15   1.726   0.451   9.662
  109   1HG2  THR  15          1HG2      THR  15   1.384   3.343  10.260
  110   2HG2  THR  15          2HG2      THR  15   1.847   4.254   8.804
  111   3HG2  THR  15          3HG2      THR  15   0.241   3.493   8.904
  112    H    ILE  16           H        ILE  16   0.554   2.901   4.848
  113    HA   ILE  16           HA       ILE  16   1.314   4.272   3.257
  114    HB   ILE  16           HB       ILE  16   1.813   6.101   5.604
  115   1HG1  ILE  16          1HG1      ILE  16  -0.321   4.970   5.935
  116   2HG1  ILE  16          2HG1      ILE  16  -0.560   6.659   5.537
  117   1HG2  ILE  16          1HG2      ILE  16   2.438   7.372   3.826
  118   2HG2  ILE  16          2HG2      ILE  16   1.429   6.466   2.672
  119   3HG2  ILE  16          3HG2      ILE  16   0.681   7.660   3.762
  120   1HD1  ILE  16          1HD1      ILE  16  -2.121   5.639   4.124
  121   2HD1  ILE  16          2HD1      ILE  16  -0.714   5.757   3.040
  122   3HD1  ILE  16          3HD1      ILE  16  -1.090   4.215   3.844
  123    H    ARG  17           H        ARG  17   3.268   2.392   3.781
  124    HA   ARG  17           HA       ARG  17   5.431   2.017   3.945
  125   1HB   ARG  17          1HB       ARG  17   5.179   4.171   1.804
  126   2HB   ARG  17          2HB       ARG  17   6.716   3.386   2.108
  127   1HG   ARG  17          1HG       ARG  17   4.877   1.249   1.962
  128   2HG   ARG  17          2HG       ARG  17   4.342   2.354   0.711
  129   1HD   ARG  17          1HD       ARG  17   6.702   2.429  -0.189
  130   2HD   ARG  17          2HD       ARG  17   7.179   1.258   1.025
  131    HE   ARG  17           HE       ARG  17   4.925   0.197  -0.364
  132   1HH1  ARG  17          1HH1      ARG  17   8.323   0.986  -0.989
  133   2HH1  ARG  17          2HH1      ARG  17   8.502  -0.213  -2.227
  134   1HH2  ARG  17          1HH2      ARG  17   6.631  -1.595  -2.803
  135    H    THR  18           H        THR  18   5.561   2.951   6.214
  136    HA   THR  18           HA       THR  18   7.608   4.997   6.277
  137    HB   THR  18           HB       THR  18   5.301   6.159   6.287
  138    HG1  THR  18           HG1      THR  18   6.458   7.577   7.548
  139   1HG2  THR  18          1HG2      THR  18   4.262   4.387   7.879
  140   2HG2  THR  18          2HG2      THR  18   5.249   5.127   9.161
  141   3HG2  THR  18          3HG2      THR  18   4.009   6.091   8.326
  142    H    ALA  19           H        ALA  19   5.525   2.585   7.889
  143    HA   ALA  19           HA       ALA  19   7.185   2.538  10.225
  144   1HB   ALA  19          1HB       ALA  19   4.780   2.069  10.344
  145   2HB   ALA  19          2HB       ALA  19   4.972   0.699   9.224
  146   3HB   ALA  19          3HB       ALA  19   5.709   0.635  10.843
  147    H    LYS  20           H        LYS  20   6.499   0.252   7.479
  148    HA   LYS  20           HA       LYS  20   9.229  -0.750   7.847
  149   1HB   LYS  20          1HB       LYS  20   6.661  -2.305   7.766
  150   2HB   LYS  20          2HB       LYS  20   8.121  -3.018   7.113
  151   1HG   LYS  20          1HG       LYS  20   9.288  -2.789   9.235
  152   2HG   LYS  20          2HG       LYS  20   8.016  -1.782   9.898
  153   1HD   LYS  20          1HD       LYS  20   6.429  -3.661   9.862
  154   2HD   LYS  20          2HD       LYS  20   7.584  -4.675   9.023
  155   1HE   LYS  20          1HE       LYS  20   9.123  -4.588  10.969
  156   2HE   LYS  20          2HE       LYS  20   8.039  -3.493  11.805
  157   1HZ   LYS  20          1HZ       LYS  20   7.469  -6.312  11.074
  158   2HZ   LYS  20          2HZ       LYS  20   7.585  -5.696  12.577
  159    H    VAL  21           H        VAL  21   9.760   0.793   6.138
  160    HA   VAL  21           HA       VAL  21   8.461   0.727   3.651
  161    HB   VAL  21           HB       VAL  21  11.169   1.664   4.590
  162   1HG1  VAL  21          1HG1      VAL  21  11.556   1.172   2.304
  163   2HG1  VAL  21          2HG1      VAL  21   9.961   1.794   1.817
  164   3HG1  VAL  21          3HG1      VAL  21  11.223   2.920   2.371
  165   1HG2  VAL  21          1HG2      VAL  21  10.214   3.879   4.406
  166   2HG2  VAL  21          2HG2      VAL  21   8.717   3.220   3.703
  167   3HG2  VAL  21          3HG2      VAL  21   9.137   2.865   5.397
  168    H    GLN  22           H        GLN  22  11.193  -1.110   5.077
  169    HA   GLN  22           HA       GLN  22  11.962  -2.277   2.651
  170   1HB   GLN  22          1HB       GLN  22  13.404  -2.116   4.696
  171   2HB   GLN  22          2HB       GLN  22  12.378  -3.287   5.501
  172   1HG   GLN  22          1HG       GLN  22  12.924  -4.996   3.799
  173   2HG   GLN  22          2HG       GLN  22  13.853  -3.830   2.880
  174   1HE2  GLN  22          1HE2      GLN  22  15.685  -2.791   3.965
  175   2HE2  GLN  22          2HE2      GLN  22  16.643  -3.705   5.082
  Start of MODEL    2
    1   1H    GLY   1          1H        GLY   1   9.615   8.852   4.751
    2   1HA   GLY   1          1HA       GLY   1   6.705   9.072   4.290
    3   2HA   GLY   1          2HA       GLY   1   7.885  10.342   4.028
    4    H    ALA   2           H        ALA   2   7.045   6.980   2.958
    5    HA   ALA   2           HA       ALA   2   8.117   7.705   0.317
    6   1HB   ALA   2          1HB       ALA   2   8.360   5.199   0.046
    7   2HB   ALA   2          2HB       ALA   2   9.415   5.920   1.285
    8   3HB   ALA   2          3HB       ALA   2   7.947   5.038   1.770
    9    H    TYR   3           H        TYR   3   5.337   6.929   2.243
   10    HA   TYR   3           HA       TYR   3   3.370   5.862   1.521
   11   1HB   TYR   3          1HB       TYR   3   2.245   7.977   0.347
   12   2HB   TYR   3          2HB       TYR   3   2.862   8.169   1.976
   13    HD1  TYR   3           HD1      TYR   3   5.020   9.355   2.370
   14    HD2  TYR   3           HD2      TYR   3   3.255   9.122  -1.520
   15    HE1  TYR   3           HE1      TYR   3   6.503  11.260   1.576
   16    HE2  TYR   3           HE2      TYR   3   4.745  11.029  -2.301
   17    HH   TYR   3           HH       TYR   3   6.016  13.108  -0.658
   18    H    THR   4           H        THR   4   3.792   4.143   0.047
   19    HA   THR   4           HA       THR   4   3.691   4.952  -2.786
   20    HB   THR   4           HB       THR   4   4.846   2.429  -1.482
   21    HG1  THR   4           HG1      THR   4   6.843   3.603  -2.066
   22   1HG2  THR   4          1HG2      THR   4   5.149   3.570  -4.309
   23   2HG2  THR   4          2HG2      THR   4   5.906   2.085  -3.687
   24   3HG2  THR   4          3HG2      THR   4   4.141   2.161  -3.901
   25    H    GLY   5           H        GLY   5   1.320   5.220  -2.385
   26   1HA   GLY   5          1HA       GLY   5  -0.443   3.936  -3.524
   27   2HA   GLY   5          2HA       GLY   5  -0.008   2.578  -2.505
   28    H    LEU   6           H        LEU   6  -1.727   5.641  -2.711
   29    HA   LEU   6           HA       LEU   6  -2.904   5.058  -0.102
   30   1HB   LEU   6          1HB       LEU   6  -1.017   6.927  -0.221
   31   2HB   LEU   6          2HB       LEU   6  -2.357   7.904  -0.787
   32    HG   LEU   6           HG       LEU   6  -2.303   6.377   1.830
   33   1HD1  LEU   6          1HD1      LEU   6  -2.070   8.575   2.897
   34   2HD1  LEU   6          2HD1      LEU   6  -0.683   8.193   1.849
   35   3HD1  LEU   6          3HD1      LEU   6  -1.930   9.337   1.294
   36   1HD2  LEU   6          1HD2      LEU   6  -4.313   7.754   2.362
   37   2HD2  LEU   6          2HD2      LEU   6  -4.335   8.298   0.668
   38   3HD2  LEU   6          3HD2      LEU   6  -4.564   6.575   1.053
   39    HA   PRO   7           HA       PRO   7  -5.855   5.937  -3.478
   40   1HB   PRO   7          1HB       PRO   7  -7.008   3.468  -3.705
   41   2HB   PRO   7          2HB       PRO   7  -5.716   4.022  -4.751
   42   1HG   PRO   7          1HG       PRO   7  -5.592   2.092  -2.517
   43   2HG   PRO   7          2HG       PRO   7  -4.446   2.337  -3.820
   44   1HD   PRO   7          1HD       PRO   7  -4.173   3.225  -1.105
   45   2HD   PRO   7          2HD       PRO   7  -3.085   3.569  -2.435
   46    H    ASN   8           H        ASN   8  -5.976   4.501  -0.381
   47    HA   ASN   8           HA       ASN   8  -8.247   6.056   0.216
   48   1HB   ASN   8          1HB       ASN   8  -9.387   4.115  -0.878
   49   2HB   ASN   8          2HB       ASN   8  -8.555   3.006   0.194
   50   1HD2  ASN   8          1HD2      ASN   8 -10.709   5.821   0.148
   51   2HD2  ASN   8          2HD2      ASN   8 -11.623   5.431   1.566
   52    H    LYS   9           H        LYS   9  -6.277   3.113   1.026
   53    HA   LYS   9           HA       LYS   9  -5.267   4.266   3.383
   54   1HB   LYS   9          1HB       LYS   9  -6.332   2.711   5.017
   55   2HB   LYS   9          2HB       LYS   9  -7.419   3.918   4.361
   56   1HG   LYS   9          1HG       LYS   9  -8.799   2.151   3.918
   57   2HG   LYS   9          2HG       LYS   9  -7.761   1.881   2.532
   58   1HD   LYS   9          1HD       LYS   9  -6.314   0.372   3.962
   59   2HD   LYS   9          2HD       LYS   9  -7.450   0.583   5.280
   60   1HE   LYS   9          1HE       LYS   9  -9.283  -0.345   3.818
   61   2HE   LYS   9          2HE       LYS   9  -8.109  -0.606   2.543
   62   1HZ   LYS   9          1HZ       LYS   9  -8.517  -2.591   3.985
   63   2HZ   LYS   9          2HZ       LYS   9  -6.945  -2.169   3.930
   64    H    LYS  10           H        LYS  10  -3.544   3.000   4.247
   65    HA   LYS  10           HA       LYS  10  -1.895   1.729   2.748
   66   1HB   LYS  10          1HB       LYS  10  -1.249   0.254   4.655
   67   2HB   LYS  10          2HB       LYS  10  -1.454   1.940   5.084
   68   1HG   LYS  10          1HG       LYS  10  -4.018   0.636   5.364
   69   2HG   LYS  10          2HG       LYS  10  -2.819  -0.355   6.171
   70   1HD   LYS  10          1HD       LYS  10  -2.019   1.643   7.445
   71   2HD   LYS  10          2HD       LYS  10  -3.207   2.642   6.630
   72   1HE   LYS  10          1HE       LYS  10  -5.046   1.239   7.587
   73   2HE   LYS  10          2HE       LYS  10  -3.861   0.234   8.396
   74   1HZ   LYS  10          1HZ       LYS  10  -4.366   3.112   8.911
   75   2HZ   LYS  10          2HZ       LYS  10  -4.600   1.879   9.948
   76    HA   PRO  11           HA       PRO  11  -4.428  -1.421   0.946
   77   1HB   PRO  11          1HB       PRO  11  -3.104  -1.543  -1.443
   78   2HB   PRO  11          2HB       PRO  11  -4.456  -0.466  -1.150
   79   1HG   PRO  11          1HG       PRO  11  -1.575   0.176  -1.310
   80   2HG   PRO  11          2HG       PRO  11  -2.950   1.255  -1.444
   81   1HD   PRO  11          1HD       PRO  11  -1.231   0.941   0.830
   82   2HD   PRO  11          2HD       PRO  11  -2.672   1.932   0.735
   83    H    ASN  12           H        ASN  12  -1.077  -1.634  -0.144
   84    HA   ASN  12           HA       ASN  12  -1.129  -4.334   0.932
   85   1HB   ASN  12          1HB       ASN  12   0.702  -4.817  -0.640
   86   2HB   ASN  12          2HB       ASN  12  -0.600  -4.042  -1.520
   87   1HD2  ASN  12          1HD2      ASN  12   2.648  -3.866  -0.445
   88   2HD2  ASN  12          2HD2      ASN  12   3.101  -2.360  -1.173
   89    H    VAL  13           H        VAL  13   0.391  -1.128   1.041
   90    HA   VAL  13           HA       VAL  13   2.794  -1.833   2.299
   91    HB   VAL  13           HB       VAL  13   3.067   0.466   2.656
   92   1HG1  VAL  13          1HG1      VAL  13   2.700   1.398   0.529
   93   2HG1  VAL  13          2HG1      VAL  13   2.770  -0.356   0.234
   94   3HG1  VAL  13          3HG1      VAL  13   1.198   0.477   0.281
   95   1HG2  VAL  13          1HG2      VAL  13   1.124   2.083   2.493
   96   2HG2  VAL  13          2HG2      VAL  13   0.044   0.671   2.580
   97   3HG2  VAL  13          3HG2      VAL  13   1.138   1.038   3.935
   98    HA   PRO  14           HA       PRO  14   1.592  -2.480   6.398
   99   1HB   PRO  14          1HB       PRO  14   3.665  -1.448   7.851
  100   2HB   PRO  14          2HB       PRO  14   3.734  -3.009   7.056
  101   1HG   PRO  14          1HG       PRO  14   5.011  -0.464   6.261
  102   2HG   PRO  14          2HG       PRO  14   5.397  -2.093   5.745
  103   1HD   PRO  14          1HD       PRO  14   3.958  -0.116   4.247
  104   2HD   PRO  14          2HD       PRO  14   4.243  -1.781   3.781
  105    H    THR  15           H        THR  15   2.973   0.778   6.305
  106    HA   THR  15           HA       THR  15   0.439   1.814   7.242
  107    HB   THR  15           HB       THR  15   3.012   1.974   8.898
  108    HG1  THR  15           HG1      THR  15   1.967   0.259   9.823
  109   1HG2  THR  15          1HG2      THR  15   0.239   3.216   9.286
  110   2HG2  THR  15          2HG2      THR  15   1.469   3.102  10.567
  111   3HG2  THR  15          3HG2      THR  15   1.777   4.096   9.123
  112    H    ILE  16           H        ILE  16   0.392   2.820   5.186
  113    HA   ILE  16           HA       ILE  16   0.912   4.339   3.652
  114    HB   ILE  16           HB       ILE  16   1.708   6.032   6.017
  115   1HG1  ILE  16          1HG1      ILE  16  -0.401   4.761   6.447
  116   2HG1  ILE  16          2HG1      ILE  16  -0.590   6.503   6.437
  117   1HG2  ILE  16          1HG2      ILE  16   0.462   7.758   4.533
  118   2HG2  ILE  16          2HG2      ILE  16   2.127   7.290   4.115
  119   3HG2  ILE  16          3HG2      ILE  16   0.757   6.593   3.220
  120   1HD1  ILE  16          1HD1      ILE  16  -1.102   4.799   3.964
  121   2HD1  ILE  16          2HD1      ILE  16  -2.371   5.185   5.150
  122   3HD1  ILE  16          3HD1      ILE  16  -1.578   6.491   4.238
  123    H    ARG  17           H        ARG  17   3.000   2.401   4.202
  124    HA   ARG  17           HA       ARG  17   5.152   2.067   4.044
  125   1HB   ARG  17          1HB       ARG  17   4.199   3.517   1.749
  126   2HB   ARG  17          2HB       ARG  17   5.830   4.077   2.057
  127   1HG   ARG  17          1HG       ARG  17   5.786   1.202   2.383
  128   2HG   ARG  17          2HG       ARG  17   5.000   1.591   0.867
  129   1HD   ARG  17          1HD       ARG  17   6.988   3.032   0.250
  130   2HD   ARG  17          2HD       ARG  17   7.779   2.529   1.731
  131    HE   ARG  17           HE       ARG  17   6.988   0.158   0.401
  132   1HH1  ARG  17          1HH1      ARG  17   9.183   2.876  -0.189
  133   2HH1  ARG  17          2HH1      ARG  17  10.272   1.946  -1.163
  134   1HH2  ARG  17          1HH2      ARG  17   9.806  -0.371  -1.558
  135    H    THR  18           H        THR  18   5.285   3.238   6.297
  136    HA   THR  18           HA       THR  18   7.387   5.243   6.070
  137    HB   THR  18           HB       THR  18   5.060   6.370   6.232
  138    HG1  THR  18           HG1      THR  18   6.459   7.829   7.128
  139   1HG2  THR  18          1HG2      THR  18   4.008   6.428   8.417
  140   2HG2  THR  18          2HG2      THR  18   4.195   4.706   8.009
  141   3HG2  THR  18          3HG2      THR  18   5.327   5.479   9.143
  142    H    ALA  19           H        ALA  19   5.489   2.884   7.961
  143    HA   ALA  19           HA       ALA  19   7.265   2.979  10.187
  144   1HB   ALA  19          1HB       ALA  19   4.902   2.328  10.394
  145   2HB   ALA  19          2HB       ALA  19   5.179   0.937   9.317
  146   3HB   ALA  19          3HB       ALA  19   5.964   0.997  10.913
  147    H    LYS  20           H        LYS  20   6.649   0.554   7.545
  148    HA   LYS  20           HA       LYS  20   9.442  -0.282   7.903
  149   1HB   LYS  20          1HB       LYS  20   6.944  -1.940   7.635
  150   2HB   LYS  20          2HB       LYS  20   8.480  -2.566   7.070
  151   1HG   LYS  20          1HG       LYS  20   9.485  -2.338   9.274
  152   2HG   LYS  20          2HG       LYS  20   8.119  -1.415   9.871
  153   1HD   LYS  20          1HD       LYS  20   6.638  -3.372   9.668
  154   2HD   LYS  20          2HD       LYS  20   7.907  -4.302   8.896
  155   1HE   LYS  20          1HE       LYS  20   9.288  -4.183  10.957
  156   2HE   LYS  20          2HE       LYS  20   8.084  -3.173  11.732
  157   1HZ   LYS  20          1HZ       LYS  20   7.903  -5.590  12.283
  158   2HZ   LYS  20          2HZ       LYS  20   6.521  -4.983  11.671
  159    H    VAL  21           H        VAL  21   9.921   1.384   6.274
  160    HA   VAL  21           HA       VAL  21   8.724   1.330   3.740
  161    HB   VAL  21           HB       VAL  21  11.313   2.405   4.840
  162   1HG1  VAL  21          1HG1      VAL  21  10.291   2.502   1.993
  163   2HG1  VAL  21          2HG1      VAL  21  11.428   3.706   2.645
  164   3HG1  VAL  21          3HG1      VAL  21  11.889   1.988   2.583
  165   1HG2  VAL  21          1HG2      VAL  21   9.141   3.453   5.512
  166   2HG2  VAL  21          2HG2      VAL  21  10.239   4.554   4.645
  167   3HG2  VAL  21          3HG2      VAL  21   8.847   3.836   3.799
  168    H    GLN  22           H        GLN  22  11.499  -0.403   5.203
  169    HA   GLN  22           HA       GLN  22  12.432  -1.425   2.771
  170   1HB   GLN  22          1HB       GLN  22  13.774  -1.266   4.885
  171   2HB   GLN  22          2HB       GLN  22  12.789  -2.532   5.591
  172   1HG   GLN  22          1HG       GLN  22  13.501  -4.115   3.813
  173   2HG   GLN  22          2HG       GLN  22  14.431  -2.850   3.034
  174   1HE2  GLN  22          1HE2      GLN  22  16.132  -1.800   4.308
  175   2HE2  GLN  22          2HE2      GLN  22  17.059  -2.742   5.428
  Start of MODEL    3
    1   1H    GLY   1          1H        GLY   1  10.120   9.554   4.575
    2   1HA   GLY   1          1HA       GLY   1   9.809   6.635   4.915
    3   2HA   GLY   1          2HA       GLY   1   8.504   7.803   4.867
    4    H    ALA   2           H        ALA   2   7.705   6.240   3.133
    5    HA   ALA   2           HA       ALA   2   8.896   7.005   0.555
    6   1HB   ALA   2          1HB       ALA   2   9.424   4.681   0.993
    7   2HB   ALA   2          2HB       ALA   2   7.738   4.337   1.451
    8   3HB   ALA   2          3HB       ALA   2   8.139   4.738  -0.236
    9    H    TYR   3           H        TYR   3   5.946   5.991   2.385
   10    HA   TYR   3           HA       TYR   3   3.783   6.340   2.001
   11   1HB   TYR   3          1HB       TYR   3   4.782   8.919   0.660
   12   2HB   TYR   3          2HB       TYR   3   3.299   8.726   1.573
   13    HD1  TYR   3           HD1      TYR   3   6.757   9.657   1.714
   14    HD2  TYR   3           HD2      TYR   3   3.499   8.248   4.102
   15    HE1  TYR   3           HE1      TYR   3   7.941  10.460   3.816
   16    HE2  TYR   3           HE2      TYR   3   4.693   9.056   6.196
   17    HH   TYR   3           HH       TYR   3   7.665   9.536   6.501
   18    H    THR   4           H        THR   4   3.848   4.582   0.321
   19    HA   THR   4           HA       THR   4   3.160   5.731  -2.303
   20    HB   THR   4           HB       THR   4   4.761   3.187  -1.697
   21    HG1  THR   4           HG1      THR   4   6.068   5.058  -1.469
   22   1HG2  THR   4          1HG2      THR   4   4.036   4.592  -4.324
   23   2HG2  THR   4          2HG2      THR   4   5.195   3.250  -4.172
   24   3HG2  THR   4          3HG2      THR   4   3.472   2.981  -3.817
   25    H    GLY   5           H        GLY   5   1.382   4.891  -3.353
   26   1HA   GLY   5          1HA       GLY   5  -0.510   3.696  -3.631
   27   2HA   GLY   5          2HA       GLY   5   0.107   2.488  -2.522
   28    H    LEU   6           H        LEU   6  -1.750   5.511  -2.832
   29    HA   LEU   6           HA       LEU   6  -2.947   4.923  -0.241
   30   1HB   LEU   6          1HB       LEU   6  -1.015   6.751  -0.286
   31   2HB   LEU   6          2HB       LEU   6  -2.325   7.772  -0.845
   32    HG   LEU   6           HG       LEU   6  -2.319   6.186   1.739
   33   1HD1  LEU   6          1HD1      LEU   6  -0.698   8.070   1.689
   34   2HD1  LEU   6          2HD1      LEU   6  -2.048   9.178   1.346
   35   3HD1  LEU   6          3HD1      LEU   6  -2.001   8.280   2.882
   36   1HD2  LEU   6          1HD2      LEU   6  -4.347   8.102   0.566
   37   2HD2  LEU   6          2HD2      LEU   6  -4.572   6.385   0.974
   38   3HD2  LEU   6          3HD2      LEU   6  -4.332   7.583   2.269
   39    HA   PRO   7           HA       PRO   7  -5.838   5.929  -3.624
   40   1HB   PRO   7          1HB       PRO   7  -7.086   3.508  -3.850
   41   2HB   PRO   7          2HB       PRO   7  -5.764   4.006  -4.888
   42   1HG   PRO   7          1HG       PRO   7  -5.736   2.082  -2.643
   43   2HG   PRO   7          2HG       PRO   7  -4.570   2.275  -3.937
   44   1HD   PRO   7          1HD       PRO   7  -4.286   3.163  -1.225
   45   2HD   PRO   7          2HD       PRO   7  -3.174   3.458  -2.547
   46    H    ASN   8           H        ASN   8  -6.041   4.518  -0.521
   47    HA   ASN   8           HA       ASN   8  -8.237   6.170   0.065
   48   1HB   ASN   8          1HB       ASN   8  -9.185   3.979  -1.127
   49   2HB   ASN   8          2HB       ASN   8  -8.856   3.215   0.415
   50   1HD2  ASN   8          1HD2      ASN   8  -9.838   4.047   2.325
   51   2HD2  ASN   8          2HD2      ASN   8 -11.359   4.875   2.266
   52    H    LYS   9           H        LYS   9  -6.414   3.132   0.850
   53    HA   LYS   9           HA       LYS   9  -5.396   4.198   3.246
   54   1HB   LYS   9          1HB       LYS   9  -6.542   2.692   4.845
   55   2HB   LYS   9          2HB       LYS   9  -7.601   3.904   4.152
   56   1HG   LYS   9          1HG       LYS   9  -8.991   2.167   3.652
   57   2HG   LYS   9          2HG       LYS   9  -7.887   1.827   2.336
   58   1HD   LYS   9          1HD       LYS   9  -6.558   0.333   3.885
   59   2HD   LYS   9          2HD       LYS   9  -7.747   0.621   5.139
   60   1HE   LYS   9          1HE       LYS   9  -9.536  -0.315   3.630
   61   2HE   LYS   9          2HE       LYS   9  -8.315  -0.648   2.416
   62   1HZ   LYS   9          1HZ       LYS   9  -7.204  -2.115   4.028
   63   2HZ   LYS   9          2HZ       LYS   9  -8.340  -1.806   5.153
   64    H    LYS  10           H        LYS  10  -3.643   2.960   3.970
   65    HA   LYS  10           HA       LYS  10  -2.116   1.584   2.425
   66   1HB   LYS  10          1HB       LYS  10  -1.344   0.224   4.351
   67   2HB   LYS  10          2HB       LYS  10  -1.546   1.922   4.732
   68   1HG   LYS  10          1HG       LYS  10  -4.071   0.615   5.219
   69   2HG   LYS  10          2HG       LYS  10  -2.819  -0.354   5.971
   70   1HD   LYS  10          1HD       LYS  10  -1.935   1.698   7.118
   71   2HD   LYS  10          2HD       LYS  10  -3.213   2.648   6.384
   72   1HE   LYS  10          1HE       LYS  10  -4.925   1.212   7.524
   73   2HE   LYS  10          2HE       LYS  10  -3.643   0.277   8.266
   74   1HZ   LYS  10          1HZ       LYS  10  -4.211   3.153   8.726
   75   2HZ   LYS  10          2HZ       LYS  10  -4.314   1.950   9.818
   76    HA   PRO  11           HA       PRO  11  -4.821  -1.602   0.969
   77   1HB   PRO  11          1HB       PRO  11  -3.661  -1.881  -1.490
   78   2HB   PRO  11          2HB       PRO  11  -4.970  -0.761  -1.169
   79   1HG   PRO  11          1HG       PRO  11  -2.095  -0.192  -1.552
   80   2HG   PRO  11          2HG       PRO  11  -3.455   0.908  -1.656
   81   1HD   PRO  11          1HD       PRO  11  -1.595   0.679   0.516
   82   2HD   PRO  11          2HD       PRO  11  -3.021   1.696   0.460
   83    H    ASN  12           H        ASN  12  -1.460  -1.487   1.447
   84    HA   ASN  12           HA       ASN  12  -1.483  -4.165   2.262
   85   1HB   ASN  12          1HB       ASN  12   0.445  -4.763   0.535
   86   2HB   ASN  12          2HB       ASN  12  -1.230  -4.940   0.048
   87   1HD2  ASN  12          1HD2      ASN  12  -2.053  -3.740  -1.551
   88   2HD2  ASN  12          2HD2      ASN  12  -1.193  -2.539  -2.456
   89    H    VAL  13           H        VAL  13   0.417  -1.373   0.954
   90    HA   VAL  13           HA       VAL  13   2.858  -1.781   2.024
   91    HB   VAL  13           HB       VAL  13   3.078   0.650   2.085
   92   1HG1  VAL  13          1HG1      VAL  13   2.743  -0.868  -0.099
   93   2HG1  VAL  13          2HG1      VAL  13   1.367   0.239  -0.324
   94   3HG1  VAL  13          3HG1      VAL  13   3.020   0.887  -0.184
   95   1HG2  VAL  13          1HG2      VAL  13   1.099   2.072   1.510
   96   2HG2  VAL  13          2HG2      VAL  13   0.061   0.647   1.753
   97   3HG2  VAL  13          3HG2      VAL  13   0.999   1.308   3.113
   98    HA   PRO  14           HA       PRO  14   2.338  -1.808   6.319
   99   1HB   PRO  14          1HB       PRO  14   4.925  -1.438   7.119
  100   2HB   PRO  14          2HB       PRO  14   4.289  -2.992   6.613
  101   1HG   PRO  14          1HG       PRO  14   6.073  -1.151   5.140
  102   2HG   PRO  14          2HG       PRO  14   5.775  -2.854   4.854
  103   1HD   PRO  14          1HD       PRO  14   4.719  -0.650   3.353
  104   2HD   PRO  14          2HD       PRO  14   4.331  -2.345   3.139
  105    H    THR  15           H        THR  15   0.978  -0.134   6.826
  106    HA   THR  15           HA       THR  15   0.433   1.906   7.532
  107    HB   THR  15           HB       THR  15   3.280   1.999   8.644
  108    HG1  THR  15           HG1      THR  15   0.850   0.500   9.218
  109   1HG2  THR  15          1HG2      THR  15   0.567   2.916   9.739
  110   2HG2  THR  15          2HG2      THR  15   2.125   3.040  10.592
  111   3HG2  THR  15          3HG2      THR  15   1.837   3.998   9.119
  112    H    ILE  16           H        ILE  16   0.248   2.600   5.286
  113    HA   ILE  16           HA       ILE  16   0.844   3.804   3.493
  114    HB   ILE  16           HB       ILE  16   1.639   5.874   5.524
  115   1HG1  ILE  16          1HG1      ILE  16  -0.370   4.558   6.305
  116   2HG1  ILE  16          2HG1      ILE  16  -0.614   6.282   6.105
  117   1HG2  ILE  16          1HG2      ILE  16   1.846   6.682   3.315
  118   2HG2  ILE  16          2HG2      ILE  16   0.311   5.934   2.811
  119   3HG2  ILE  16          3HG2      ILE  16   0.301   7.320   3.927
  120   1HD1  ILE  16          1HD1      ILE  16  -2.441   4.736   5.143
  121   2HD1  ILE  16          2HD1      ILE  16  -1.817   5.997   4.053
  122   3HD1  ILE  16          3HD1      ILE  16  -1.264   4.314   3.876
  123    H    ARG  17           H        ARG  17   2.864   1.980   3.957
  124    HA   ARG  17           HA       ARG  17   5.026   1.613   3.883
  125   1HB   ARG  17          1HB       ARG  17   4.101   2.690   1.520
  126   2HB   ARG  17          2HB       ARG  17   5.454   3.757   1.840
  127   1HG   ARG  17          1HG       ARG  17   6.886   1.651   2.206
  128   2HG   ARG  17          2HG       ARG  17   5.533   0.718   1.599
  129   1HD   ARG  17          1HD       ARG  17   5.827   1.439  -0.584
  130   2HD   ARG  17          2HD       ARG  17   6.340   3.044  -0.102
  131    HE   ARG  17           HE       ARG  17   8.363   1.223   0.729
  132   1HH1  ARG  17          1HH1      ARG  17   6.974   2.453  -2.289
  133   2HH1  ARG  17          2HH1      ARG  17   8.433   2.232  -3.196
  134   1HH2  ARG  17          1HH2      ARG  17  10.369   1.336  -2.105
  135    H    THR  18           H        THR  18   5.298   2.710   6.100
  136    HA   THR  18           HA       THR  18   7.377   4.717   5.865
  137    HB   THR  18           HB       THR  18   5.020   5.846   6.020
  138    HG1  THR  18           HG1      THR  18   6.681   7.217   6.607
  139   1HG2  THR  18          1HG2      THR  18   4.001   5.963   8.181
  140   2HG2  THR  18          2HG2      THR  18   4.336   4.227   7.976
  141   3HG2  THR  18          3HG2      THR  18   5.414   5.230   8.977
  142    H    ALA  19           H        ALA  19   5.598   2.199   7.553
  143    HA   ALA  19           HA       ALA  19   7.158   2.362   9.935
  144   1HB   ALA  19          1HB       ALA  19   4.977   1.439  10.128
  145   2HB   ALA  19          2HB       ALA  19   5.226   0.349   8.742
  146   3HB   ALA  19          3HB       ALA  19   6.080   0.049  10.275
  147    H    LYS  20           H        LYS  20   6.965  -0.139   7.293
  148    HA   LYS  20           HA       LYS  20   9.702  -0.888   7.986
  149   1HB   LYS  20          1HB       LYS  20   7.614  -2.497   7.771
  150   2HB   LYS  20          2HB       LYS  20   7.989  -2.420   6.060
  151   1HG   LYS  20          1HG       LYS  20  10.390  -3.044   6.618
  152   2HG   LYS  20          2HG       LYS  20   9.902  -3.257   8.288
  153   1HD   LYS  20          1HD       LYS  20   8.209  -4.972   7.548
  154   2HD   LYS  20          2HD       LYS  20   8.771  -4.789   5.898
  155   1HE   LYS  20          1HE       LYS  20  11.076  -5.488   6.620
  156   2HE   LYS  20          2HE       LYS  20  10.489  -5.702   8.257
  157   1HZ   LYS  20          1HZ       LYS  20  10.504  -7.779   6.892
  158   2HZ   LYS  20          2HZ       LYS  20   9.034  -7.447   7.510
  159    H    VAL  21           H        VAL  21   8.028   1.190   5.925
  160    HA   VAL  21           HA       VAL  21   8.472   2.154   3.976
  161    HB   VAL  21           HB       VAL  21  11.382   1.666   4.559
  162   1HG1  VAL  21          1HG1      VAL  21   9.973   4.181   3.622
  163   2HG1  VAL  21          2HG1      VAL  21  11.716   3.822   3.594
  164   3HG1  VAL  21          3HG1      VAL  21  10.609   2.943   2.513
  165   1HG2  VAL  21          1HG2      VAL  21   9.458   3.431   6.092
  166   2HG2  VAL  21          2HG2      VAL  21  10.560   2.186   6.725
  167   3HG2  VAL  21          3HG2      VAL  21  11.216   3.707   6.073
  168    H    GLN  22           H        GLN  22   7.648  -0.383   3.506
  169    HA   GLN  22           HA       GLN  22   9.252  -1.035   1.202
  170   1HB   GLN  22          1HB       GLN  22  10.065  -2.491   3.107
  171   2HB   GLN  22          2HB       GLN  22   8.456  -3.173   3.225
  172   1HG   GLN  22          1HG       GLN  22   8.599  -3.959   0.863
  173   2HG   GLN  22          2HG       GLN  22  10.193  -3.246   0.713
  174   1HE2  GLN  22          1HE2      GLN  22  11.862  -3.969   2.235
  175   2HE2  GLN  22          2HE2      GLN  22  11.898  -5.629   2.731
  Start of MODEL    4
    1   1H    GLY   1          1H        GLY   1   9.570   9.722   5.803
    2   1HA   GLY   1          1HA       GLY   1   9.151   7.393   5.231
    3   2HA   GLY   1          2HA       GLY   1   7.755   8.388   4.872
    4    H    ALA   2           H        ALA   2   6.836   7.599   3.018
    5    HA   ALA   2           HA       ALA   2   8.310   7.793   0.589
    6   1HB   ALA   2          1HB       ALA   2   8.113   5.205   1.986
    7   2HB   ALA   2          2HB       ALA   2   7.500   5.160   0.316
    8   3HB   ALA   2          3HB       ALA   2   9.165   5.698   0.638
    9    H    TYR   3           H        TYR   3   5.472   6.234   2.235
   10    HA   TYR   3           HA       TYR   3   3.318   6.176   1.702
   11   1HB   TYR   3          1HB       TYR   3   3.540   8.776   0.185
   12   2HB   TYR   3          2HB       TYR   3   2.468   8.383   1.515
   13    HD1  TYR   3           HD1      TYR   3   5.236  10.313   0.570
   14    HD2  TYR   3           HD2      TYR   3   3.729   8.036   3.863
   15    HE1  TYR   3           HE1      TYR   3   6.725  11.619   2.165
   16    HE2  TYR   3           HE2      TYR   3   5.222   9.350   5.447
   17    HH   TYR   3           HH       TYR   3   7.780  10.967   4.583
   18    H    THR   4           H        THR   4   3.291   4.456   0.192
   19    HA   THR   4           HA       THR   4   3.335   5.317  -2.625
   20    HB   THR   4           HB       THR   4   3.787   2.517  -1.477
   21    HG1  THR   4           HG1      THR   4   6.001   3.165  -1.522
   22   1HG2  THR   4          1HG2      THR   4   3.276   2.689  -3.952
   23   2HG2  THR   4          2HG2      THR   4   4.630   3.834  -4.112
   24   3HG2  THR   4          3HG2      THR   4   4.942   2.149  -3.632
   25    H    GLY   5           H        GLY   5   1.605   4.943  -3.943
   26   1HA   GLY   5          1HA       GLY   5  -0.447   4.215  -4.569
   27   2HA   GLY   5          2HA       GLY   5  -0.501   3.153  -3.176
   28    H    LEU   6           H        LEU   6  -1.189   4.005  -1.073
   29    HA   LEU   6           HA       LEU   6  -2.696   5.089   0.138
   30   1HB   LEU   6          1HB       LEU   6  -0.599   6.689  -0.246
   31   2HB   LEU   6          2HB       LEU   6  -1.824   7.707  -0.973
   32    HG   LEU   6           HG       LEU   6  -1.933   6.606   1.849
   33   1HD1  LEU   6          1HD1      LEU   6  -1.314   9.431   0.943
   34   2HD1  LEU   6          2HD1      LEU   6  -1.362   8.819   2.615
   35   3HD1  LEU   6          3HD1      LEU   6  -0.105   8.245   1.493
   36   1HD2  LEU   6          1HD2      LEU   6  -3.732   8.555   0.385
   37   2HD2  LEU   6          2HD2      LEU   6  -4.159   6.941   1.007
   38   3HD2  LEU   6          3HD2      LEU   6  -3.772   8.258   2.141
   39    HA   PRO   7           HA       PRO   7  -5.412   5.841  -3.504
   40   1HB   PRO   7          1HB       PRO   7  -6.638   3.410  -3.730
   41   2HB   PRO   7          2HB       PRO   7  -5.275   3.892  -4.720
   42   1HG   PRO   7          1HG       PRO   7  -5.333   2.016  -2.436
   43   2HG   PRO   7          2HG       PRO   7  -4.115   2.189  -3.685
   44   1HD   PRO   7          1HD       PRO   7  -3.949   3.137  -0.983
   45   2HD   PRO   7          2HD       PRO   7  -2.784   3.409  -2.262
   46    H    ASN   8           H        ASN   8  -5.734   4.509  -0.379
   47    HA   ASN   8           HA       ASN   8  -7.953   6.161   0.086
   48   1HB   ASN   8          1HB       ASN   8  -9.226   4.374  -1.026
   49   2HB   ASN   8          2HB       ASN   8  -8.414   3.140  -0.082
   50   1HD2  ASN   8          1HD2      ASN   8 -10.440   6.036   0.197
   51   2HD2  ASN   8          2HD2      ASN   8 -11.340   5.550   1.596
   52    H    LYS   9           H        LYS   9  -6.202   3.112   0.997
   53    HA   LYS   9           HA       LYS   9  -5.280   4.213   3.419
   54   1HB   LYS   9          1HB       LYS   9  -6.751   3.560   4.968
   55   2HB   LYS   9          2HB       LYS   9  -7.892   3.394   3.649
   56   1HG   LYS   9          1HG       LYS   9  -6.017   1.115   4.389
   57   2HG   LYS   9          2HG       LYS   9  -7.529   1.349   5.242
   58   1HD   LYS   9          1HD       LYS   9  -7.661   1.382   2.240
   59   2HD   LYS   9          2HD       LYS   9  -7.324  -0.164   2.993
   60   1HE   LYS   9          1HE       LYS   9  -9.368  -0.027   4.344
   61   2HE   LYS   9          2HE       LYS   9  -9.664   1.618   3.817
   62   1HZ   LYS   9          1HZ       LYS   9  -9.962   0.792   1.549
   63   2HZ   LYS   9          2HZ       LYS   9  -9.631  -0.737   2.003
   64    H    LYS  10           H        LYS  10  -3.583   2.961   4.267
   65    HA   LYS  10           HA       LYS  10  -1.958   1.592   2.833
   66   1HB   LYS  10          1HB       LYS  10  -1.338   0.198   4.788
   67   2HB   LYS  10          2HB       LYS  10  -1.567   1.889   5.184
   68   1HG   LYS  10          1HG       LYS  10  -3.154   1.346   6.705
   69   2HG   LYS  10          2HG       LYS  10  -4.125   0.595   5.454
   70   1HD   LYS  10          1HD       LYS  10  -2.793  -1.520   5.708
   71   2HD   LYS  10          2HD       LYS  10  -1.855  -0.767   6.982
   72   1HE   LYS  10          1HE       LYS  10  -3.952  -0.432   8.319
   73   2HE   LYS  10          2HE       LYS  10  -4.880  -1.204   7.049
   74   1HZ   LYS  10          1HZ       LYS  10  -2.772  -2.477   8.703
   75   2HZ   LYS  10          2HZ       LYS  10  -4.354  -2.860   8.672
   76    HA   PRO  11           HA       PRO  11  -4.557  -1.553   1.118
   77   1HB   PRO  11          1HB       PRO  11  -3.209  -1.803  -1.245
   78   2HB   PRO  11          2HB       PRO  11  -4.532  -0.678  -1.011
   79   1HG   PRO  11          1HG       PRO  11  -1.632  -0.124  -1.157
   80   2HG   PRO  11          2HG       PRO  11  -2.973   0.988  -1.349
   81   1HD   PRO  11          1HD       PRO  11  -1.291   0.711   0.958
   82   2HD   PRO  11          2HD       PRO  11  -2.702   1.738   0.807
   83    H    ASN  12           H        ASN  12  -1.185  -1.885   0.118
   84    HA   ASN  12           HA       ASN  12  -1.325  -4.530   1.324
   85   1HB   ASN  12          1HB       ASN  12  -0.838  -4.400  -1.158
   86   2HB   ASN  12          2HB       ASN  12   0.598  -3.457  -0.808
   87   1HD2  ASN  12          1HD2      ASN  12   2.397  -4.398   0.068
   88   2HD2  ASN  12          2HD2      ASN  12   2.633  -6.109   0.196
   89    H    VAL  13           H        VAL  13   0.315  -1.382   1.177
   90    HA   VAL  13           HA       VAL  13   2.726  -2.049   2.399
   91    HB   VAL  13           HB       VAL  13   3.007   0.266   2.701
   92   1HG1  VAL  13          1HG1      VAL  13   1.108   0.220   0.355
   93   2HG1  VAL  13          2HG1      VAL  13   2.638   1.109   0.547
   94   3HG1  VAL  13          3HG1      VAL  13   2.658  -0.654   0.309
   95   1HG2  VAL  13          1HG2      VAL  13   1.007   1.851   2.449
   96   2HG2  VAL  13          2HG2      VAL  13  -0.013   0.419   2.723
   97   3HG2  VAL  13          3HG2      VAL  13   1.139   0.942   3.974
   98    HA   PRO  14           HA       PRO  14   1.688  -2.567   6.561
   99   1HB   PRO  14          1HB       PRO  14   3.817  -1.497   7.898
  100   2HB   PRO  14          2HB       PRO  14   3.854  -3.081   7.149
  101   1HG   PRO  14          1HG       PRO  14   5.101  -0.564   6.227
  102   2HG   PRO  14          2HG       PRO  14   5.465  -2.209   5.746
  103   1HD   PRO  14          1HD       PRO  14   3.970  -0.274   4.247
  104   2HD   PRO  14          2HD       PRO  14   4.235  -1.954   3.821
  105    H    THR  15           H        THR  15   3.007   0.697   6.220
  106    HA   THR  15           HA       THR  15   0.534   1.761   7.249
  107    HB   THR  15           HB       THR  15   3.159   2.021   8.810
  108    HG1  THR  15           HG1      THR  15   2.229   0.282   9.810
  109   1HG2  THR  15          1HG2      THR  15   1.689   3.152  10.501
  110   2HG2  THR  15          2HG2      THR  15   1.775   4.087   8.989
  111   3HG2  THR  15          3HG2      THR  15   0.339   3.098   9.343
  112    H    ILE  16           H        ILE  16   0.422   2.697   5.162
  113    HA   ILE  16           HA       ILE  16   0.973   4.113   3.525
  114    HB   ILE  16           HB       ILE  16   1.654   6.058   5.706
  115   1HG1  ILE  16          1HG1      ILE  16  -0.227   4.588   6.476
  116   2HG1  ILE  16          2HG1      ILE  16  -0.621   6.291   6.344
  117   1HG2  ILE  16          1HG2      ILE  16   1.739   7.025   3.553
  118   2HG2  ILE  16          2HG2      ILE  16   0.242   6.210   3.039
  119   3HG2  ILE  16          3HG2      ILE  16   0.174   7.514   4.248
  120   1HD1  ILE  16          1HD1      ILE  16  -1.174   4.317   4.089
  121   2HD1  ILE  16          2HD1      ILE  16  -2.353   4.667   5.376
  122   3HD1  ILE  16          3HD1      ILE  16  -1.822   5.965   4.281
  123    H    ARG  17           H        ARG  17   3.094   2.334   4.017
  124    HA   ARG  17           HA       ARG  17   5.267   2.085   3.949
  125   1HB   ARG  17          1HB       ARG  17   4.501   3.996   1.777
  126   2HB   ARG  17          2HB       ARG  17   6.223   3.873   2.076
  127   1HG   ARG  17          1HG       ARG  17   4.824   1.249   1.999
  128   2HG   ARG  17          2HG       ARG  17   4.755   2.134   0.488
  129   1HD   ARG  17          1HD       ARG  17   7.235   2.378   0.494
  130   2HD   ARG  17          2HD       ARG  17   7.328   1.551   2.036
  131    HE   ARG  17           HE       ARG  17   5.899  -0.159   0.284
  132   1HH1  ARG  17          1HH1      ARG  17   9.159   1.206   0.537
  133   2HH1  ARG  17          2HH1      ARG  17   9.912  -0.121  -0.284
  134   1HH2  ARG  17          1HH2      ARG  17   8.561  -1.941  -1.061
  135    H    THR  18           H        THR  18   5.261   3.165   6.255
  136    HA   THR  18           HA       THR  18   7.265   5.290   6.183
  137    HB   THR  18           HB       THR  18   4.812   6.189   6.408
  138    HG1  THR  18           HG1      THR  18   6.106   7.758   7.277
  139   1HG2  THR  18          1HG2      THR  18   3.877   6.125   8.651
  140   2HG2  THR  18          2HG2      THR  18   4.172   4.434   8.184
  141   3HG2  THR  18          3HG2      THR  18   5.301   5.263   9.281
  142    H    ALA  19           H        ALA  19   5.502   2.702   7.907
  143    HA   ALA  19           HA       ALA  19   7.225   2.761  10.163
  144   1HB   ALA  19          1HB       ALA  19   5.294   0.685   9.054
  145   2HB   ALA  19          2HB       ALA  19   6.114   0.552  10.629
  146   3HB   ALA  19          3HB       ALA  19   4.971   1.882  10.331
  147    H    LYS  20           H        LYS  20   6.917   0.543   7.297
  148    HA   LYS  20           HA       LYS  20   9.750  -0.115   7.724
  149   1HB   LYS  20          1HB       LYS  20   7.415  -1.911   7.074
  150   2HB   LYS  20          2HB       LYS  20   9.048  -2.357   6.624
  151   1HG   LYS  20          1HG       LYS  20   9.800  -2.253   8.946
  152   2HG   LYS  20          2HG       LYS  20   8.286  -1.541   9.463
  153   1HD   LYS  20          1HD       LYS  20   7.061  -3.603   8.889
  154   2HD   LYS  20          2HD       LYS  20   8.508  -4.314   8.204
  155   1HE   LYS  20          1HE       LYS  20   9.617  -4.265  10.428
  156   2HE   LYS  20          2HE       LYS  20   8.218  -3.476  11.129
  157   1HZ   LYS  20          1HZ       LYS  20   8.263  -5.944  11.428
  158   2HZ   LYS  20          2HZ       LYS  20   6.901  -5.426  10.701
  159    H    VAL  21           H        VAL  21  10.217   1.732   6.317
  160    HA   VAL  21           HA       VAL  21   9.159   1.855   3.708
  161    HB   VAL  21           HB       VAL  21  11.583   3.048   5.053
  162   1HG1  VAL  21          1HG1      VAL  21  12.211   2.996   2.769
  163   2HG1  VAL  21          2HG1      VAL  21  10.570   3.423   2.225
  164   3HG1  VAL  21          3HG1      VAL  21  11.577   4.634   3.054
  165   1HG2  VAL  21          1HG2      VAL  21   9.330   3.774   5.830
  166   2HG2  VAL  21          2HG2      VAL  21  10.281   5.088   5.097
  167   3HG2  VAL  21          3HG2      VAL  21   8.968   4.317   4.174
  168    H    GLN  22           H        GLN  22  11.892   0.147   5.228
  169    HA   GLN  22           HA       GLN  22  13.245  -0.427   2.868
  170   1HB   GLN  22          1HB       GLN  22  14.534  -1.955   4.185
  171   2HB   GLN  22          2HB       GLN  22  14.102  -0.642   5.263
  172   1HG   GLN  22          1HG       GLN  22  12.053  -2.090   5.946
  173   2HG   GLN  22          2HG       GLN  22  12.846  -3.412   5.115
  174   1HE2  GLN  22          1HE2      GLN  22  15.128  -3.841   5.714
  175   2HE2  GLN  22          2HE2      GLN  22  15.589  -3.712   7.379
  Start of MODEL    5
    1   1H    GLY   1          1H        GLY   1   9.852   7.935   5.472
    2   1HA   GLY   1          1HA       GLY   1   6.954   8.250   4.993
    3   2HA   GLY   1          2HA       GLY   1   8.136   9.545   5.026
    4    H    ALA   2           H        ALA   2   7.360   6.464   3.272
    5    HA   ALA   2           HA       ALA   2   8.680   7.581   0.911
    6   1HB   ALA   2          1HB       ALA   2   9.461   5.387   1.515
    7   2HB   ALA   2          2HB       ALA   2   7.799   4.780   1.700
    8   3HB   ALA   2          3HB       ALA   2   8.420   5.196   0.085
    9    H    TYR   3           H        TYR   3   5.559   6.497   2.268
   10    HA   TYR   3           HA       TYR   3   3.494   6.471   1.418
   11   1HB   TYR   3          1HB       TYR   3   4.849   9.037   0.439
   12   2HB   TYR   3          2HB       TYR   3   3.169   8.754   0.033
   13    HD1  TYR   3           HD1      TYR   3   1.492   9.451   1.503
   14    HD2  TYR   3           HD2      TYR   3   5.461   8.880   2.994
   15    HE1  TYR   3           HE1      TYR   3   0.793  10.409   3.752
   16    HE2  TYR   3           HE2      TYR   3   4.748   9.841   5.238
   17    HH   TYR   3           HH       TYR   3   2.507  11.662   5.785
   18    H    THR   4           H        THR   4   3.607   4.611   0.044
   19    HA   THR   4           HA       THR   4   3.544   5.334  -2.796
   20    HB   THR   4           HB       THR   4   5.109   3.013  -1.548
   21    HG1  THR   4           HG1      THR   4   6.422   4.828  -1.416
   22   1HG2  THR   4          1HG2      THR   4   4.268   2.404  -3.800
   23   2HG2  THR   4          2HG2      THR   4   4.800   3.977  -4.441
   24   3HG2  THR   4          3HG2      THR   4   6.004   2.785  -3.896
   25    H    GLY   5           H        GLY   5   1.230   5.318  -2.492
   26   1HA   GLY   5          1HA       GLY   5  -0.417   3.756  -3.405
   27   2HA   GLY   5          2HA       GLY   5   0.183   2.557  -2.276
   28    H    LEU   6           H        LEU   6  -1.701   5.551  -2.652
   29    HA   LEU   6           HA       LEU   6  -2.921   4.990  -0.063
   30   1HB   LEU   6          1HB       LEU   6  -1.036   6.835  -0.084
   31   2HB   LEU   6          2HB       LEU   6  -2.311   7.829  -0.760
   32    HG   LEU   6           HG       LEU   6  -2.566   6.324   1.856
   33   1HD1  LEU   6          1HD1      LEU   6  -1.847   9.237   1.428
   34   2HD1  LEU   6          2HD1      LEU   6  -2.144   8.439   2.991
   35   3HD1  LEU   6          3HD1      LEU   6  -0.746   7.961   1.998
   36   1HD2  LEU   6          1HD2      LEU   6  -4.717   6.783   0.913
   37   2HD2  LEU   6          2HD2      LEU   6  -4.436   7.943   2.233
   38   3HD2  LEU   6          3HD2      LEU   6  -4.259   8.462   0.540
   39    HA   PRO   7           HA       PRO   7  -5.785   5.863  -3.513
   40   1HB   PRO   7          1HB       PRO   7  -6.935   3.396  -3.759
   41   2HB   PRO   7          2HB       PRO   7  -5.617   3.944  -4.775
   42   1HG   PRO   7          1HG       PRO   7  -5.553   2.022  -2.530
   43   2HG   PRO   7          2HG       PRO   7  -4.374   2.260  -3.806
   44   1HD   PRO   7          1HD       PRO   7  -4.168   3.158  -1.089
   45   2HD   PRO   7          2HD       PRO   7  -3.046   3.494  -2.392
   46    H    ASN   8           H        ASN   8  -5.967   4.490  -0.402
   47    HA   ASN   8           HA       ASN   8  -8.252   6.036   0.130
   48   1HB   ASN   8          1HB       ASN   8  -9.433   4.154  -0.959
   49   2HB   ASN   8          2HB       ASN   8  -8.566   2.991   0.024
   50   1HD2  ASN   8          1HD2      ASN   8 -10.725   5.796   0.205
   51   2HD2  ASN   8          2HD2      ASN   8 -11.598   5.320   1.623
   52    H    LYS   9           H        LYS   9  -6.351   3.061   1.000
   53    HA   LYS   9           HA       LYS   9  -5.382   4.216   3.379
   54   1HB   LYS   9          1HB       LYS   9  -6.754   3.500   5.000
   55   2HB   LYS   9          2HB       LYS   9  -7.951   3.361   3.729
   56   1HG   LYS   9          1HG       LYS   9  -6.045   1.071   4.347
   57   2HG   LYS   9          2HG       LYS   9  -7.528   1.283   5.256
   58   1HD   LYS   9          1HD       LYS   9  -7.765   1.378   2.262
   59   2HD   LYS   9          2HD       LYS   9  -7.397  -0.182   2.970
   60   1HE   LYS   9          1HE       LYS   9  -9.394  -0.103   4.376
   61   2HE   LYS   9          2HE       LYS   9  -9.704   1.565   3.939
   62   1HZ   LYS   9          1HZ       LYS   9 -11.043  -0.096   2.663
   63   2HZ   LYS   9          2HZ       LYS   9 -10.183   0.891   1.694
   64    H    LYS  10           H        LYS  10  -3.654   2.982   4.235
   65    HA   LYS  10           HA       LYS  10  -2.004   1.676   2.777
   66   1HB   LYS  10          1HB       LYS  10  -1.314   0.295   4.695
   67   2HB   LYS  10          2HB       LYS  10  -1.651   1.953   5.152
   68   1HG   LYS  10          1HG       LYS  10  -4.132   0.882   5.540
   69   2HG   LYS  10          2HG       LYS  10  -3.162  -0.550   5.824
   70   1HD   LYS  10          1HD       LYS  10  -1.758   0.815   7.458
   71   2HD   LYS  10          2HD       LYS  10  -2.895   2.133   7.256
   72   1HE   LYS  10          1HE       LYS  10  -4.757   0.596   8.009
   73   2HE   LYS  10          2HE       LYS  10  -3.570  -0.662   8.292
   74   1HZ   LYS  10          1HZ       LYS  10  -3.721   1.952   9.685
   75   2HZ   LYS  10          2HZ       LYS  10  -3.922   0.479  10.348
   76    HA   PRO  11           HA       PRO  11  -4.536  -1.499   1.015
   77   1HB   PRO  11          1HB       PRO  11  -3.204  -1.661  -1.365
   78   2HB   PRO  11          2HB       PRO  11  -4.555  -0.578  -1.095
   79   1HG   PRO  11          1HG       PRO  11  -1.674   0.059  -1.255
   80   2HG   PRO  11          2HG       PRO  11  -3.047   1.137  -1.413
   81   1HD   PRO  11          1HD       PRO  11  -1.336   0.858   0.873
   82   2HD   PRO  11          2HD       PRO  11  -2.777   1.850   0.757
   83    H    ASN  12           H        ASN  12  -1.191  -1.744  -0.081
   84    HA   ASN  12           HA       ASN  12  -1.241  -4.412   1.075
   85   1HB   ASN  12          1HB       ASN  12   0.580  -4.945  -0.509
   86   2HB   ASN  12          2HB       ASN  12  -0.760  -4.235  -1.388
   87   1HD2  ASN  12          1HD2      ASN  12   2.504  -3.915  -0.349
   88   2HD2  ASN  12          2HD2      ASN  12   2.911  -2.449  -1.178
   89    H    VAL  13           H        VAL  13   0.248  -1.205   1.098
   90    HA   VAL  13           HA       VAL  13   2.694  -1.867   2.301
   91    HB   VAL  13           HB       VAL  13   2.954   0.441   2.614
   92   1HG1  VAL  13          1HG1      VAL  13   2.509   1.343   0.478
   93   2HG1  VAL  13          2HG1      VAL  13   2.644  -0.413   0.218
   94   3HG1  VAL  13          3HG1      VAL  13   1.041   0.359   0.272
   95   1HG2  VAL  13          1HG2      VAL  13   0.983   2.033   2.447
   96   2HG2  VAL  13          2HG2      VAL  13  -0.072   0.608   2.606
   97   3HG2  VAL  13          3HG2      VAL  13   1.053   1.033   3.918
   98    HA   PRO  14           HA       PRO  14   1.580  -2.477   6.430
   99   1HB   PRO  14          1HB       PRO  14   3.720  -1.486   7.810
  100   2HB   PRO  14          2HB       PRO  14   3.728  -3.054   7.028
  101   1HG   PRO  14          1HG       PRO  14   5.044  -0.549   6.172
  102   2HG   PRO  14          2HG       PRO  14   5.373  -2.193   5.661
  103   1HD   PRO  14          1HD       PRO  14   3.940  -0.192   4.188
  104   2HD   PRO  14          2HD       PRO  14   4.169  -1.868   3.730
  105    H    THR  15           H        THR  15   3.042   0.743   6.271
  106    HA   THR  15           HA       THR  15   0.562   1.831   7.317
  107    HB   THR  15           HB       THR  15   3.247   2.061   8.777
  108    HG1  THR  15           HG1      THR  15   2.338   0.324   9.798
  109   1HG2  THR  15          1HG2      THR  15   1.825   3.180  10.536
  110   2HG2  THR  15          2HG2      THR  15   1.922   4.141   9.041
  111   3HG2  THR  15          3HG2      THR  15   0.462   3.184   9.390
  112    H    ILE  16           H        ILE  16   0.396   2.756   5.218
  113    HA   ILE  16           HA       ILE  16   0.829   4.221   3.606
  114    HB   ILE  16           HB       ILE  16   1.649   5.939   5.951
  115   1HG1  ILE  16          1HG1      ILE  16  -0.490   4.862   6.390
  116   2HG1  ILE  16          2HG1      ILE  16  -0.706   6.576   6.094
  117   1HG2  ILE  16          1HG2      ILE  16   1.083   6.491   3.085
  118   2HG2  ILE  16          2HG2      ILE  16   0.415   7.629   4.280
  119   3HG2  ILE  16          3HG2      ILE  16   2.166   7.318   4.229
  120   1HD1  ILE  16          1HD1      ILE  16  -1.090   5.825   3.581
  121   2HD1  ILE  16          2HD1      ILE  16  -1.425   4.240   4.317
  122   3HD1  ILE  16          3HD1      ILE  16  -2.406   5.654   4.768
  123    H    ARG  17           H        ARG  17   2.974   2.324   4.161
  124    HA   ARG  17           HA       ARG  17   5.077   1.961   3.778
  125   1HB   ARG  17          1HB       ARG  17   4.114   3.722   1.667
  126   2HB   ARG  17          2HB       ARG  17   5.817   4.038   1.935
  127   1HG   ARG  17          1HG       ARG  17   5.287   1.155   1.963
  128   2HG   ARG  17          2HG       ARG  17   4.690   1.878   0.482
  129   1HD   ARG  17          1HD       ARG  17   6.943   2.987   0.158
  130   2HD   ARG  17          2HD       ARG  17   7.527   2.160   1.589
  131    HE   ARG  17           HE       ARG  17   6.445   0.139  -0.035
  132   1HH1  ARG  17          1HH1      ARG  17   9.016   2.557  -0.344
  133   2HH1  ARG  17          2HH1      ARG  17   9.959   1.595  -1.433
  134   1HH2  ARG  17          1HH2      ARG  17   9.160  -0.568  -2.082
  135    H    THR  18           H        THR  18   5.286   2.956   6.118
  136    HA   THR  18           HA       THR  18   7.439   4.916   5.986
  137    HB   THR  18           HB       THR  18   5.011   5.956   6.352
  138    HG1  THR  18           HG1      THR  18   7.386   6.267   8.048
  139   1HG2  THR  18          1HG2      THR  18   4.457   6.126   8.759
  140   2HG2  THR  18          2HG2      THR  18   4.405   4.418   8.264
  141   3HG2  THR  18          3HG2      THR  18   5.808   5.040   9.165
  142    H    ALA  19           H        ALA  19   5.497   2.516   7.799
  143    HA   ALA  19           HA       ALA  19   7.209   2.384  10.016
  144   1HB   ALA  19          1HB       ALA  19   4.980   1.519  10.165
  145   2HB   ALA  19          2HB       ALA  19   5.229   0.450   8.762
  146   3HB   ALA  19          3HB       ALA  19   6.073   0.120  10.294
  147    H    LYS  20           H        LYS  20   6.934   0.255   7.078
  148    HA   LYS  20           HA       LYS  20   9.787  -0.319   7.428
  149   1HB   LYS  20          1HB       LYS  20   7.527  -2.286   7.060
  150   2HB   LYS  20          2HB       LYS  20   9.166  -2.675   6.578
  151   1HG   LYS  20          1HG       LYS  20   9.996  -2.299   8.855
  152   2HG   LYS  20          2HG       LYS  20   8.439  -1.680   9.371
  153   1HD   LYS  20          1HD       LYS  20   7.388  -3.883   8.995
  154   2HD   LYS  20          2HD       LYS  20   8.879  -4.519   8.327
  155   1HE   LYS  20          1HE       LYS  20  10.027  -4.184  10.508
  156   2HE   LYS  20          2HE       LYS  20   8.575  -3.473  11.183
  157   1HZ   LYS  20          1HZ       LYS  20   8.893  -6.277  10.271
  158   2HZ   LYS  20          2HZ       LYS  20   8.608  -5.771  11.792
  159    H    VAL  21           H        VAL  21   7.782  -1.891   4.988
  160    HA   VAL  21           HA       VAL  21   8.180   0.146   3.025
  161    HB   VAL  21           HB       VAL  21   9.470  -1.973   1.777
  162   1HG1  VAL  21          1HG1      VAL  21  11.428  -0.470   1.790
  163   2HG1  VAL  21          2HG1      VAL  21   9.920   0.402   1.421
  164   3HG1  VAL  21          3HG1      VAL  21  10.646   0.527   3.041
  165   1HG2  VAL  21          1HG2      VAL  21  11.268  -2.687   3.159
  166   2HG2  VAL  21          2HG2      VAL  21  10.840  -1.531   4.443
  167   3HG2  VAL  21          3HG2      VAL  21   9.784  -2.926   4.113
  168    H    GLN  22           H        GLN  22   7.813  -3.457   3.391
  169    HA   GLN  22           HA       GLN  22   5.350  -3.150   1.859
  170   1HB   GLN  22          1HB       GLN  22   7.241  -4.268   0.584
  171   2HB   GLN  22          2HB       GLN  22   7.216  -5.560   1.769
  172   1HG   GLN  22          1HG       GLN  22   4.822  -6.023   1.222
  173   2HG   GLN  22          2HG       GLN  22   4.832  -4.722   0.049
  174   1HE2  GLN  22          1HE2      GLN  22   6.438  -4.839  -1.696
  175   2HE2  GLN  22          2HE2      GLN  22   6.838  -6.380  -2.378
  Start of MODEL    6
    1   1H    GLY   1          1H        GLY   1  10.608   5.956   0.594
    2   1HA   GLY   1          1HA       GLY   1   9.158   7.729  -0.203
    3   2HA   GLY   1          2HA       GLY   1   8.326   6.187  -0.259
    4    H    ALA   2           H        ALA   2   7.584   5.654   2.342
    5    HA   ALA   2           HA       ALA   2   5.984   6.087   3.808
    6   1HB   ALA   2          1HB       ALA   2   7.796   7.726   4.519
    7   2HB   ALA   2          2HB       ALA   2   6.880   8.987   3.659
    8   3HB   ALA   2          3HB       ALA   2   6.147   8.140   5.041
    9    H    TYR   3           H        TYR   3   5.300   6.094   0.984
   10    HA   TYR   3           HA       TYR   3   2.689   6.963   1.111
   11   1HB   TYR   3          1HB       TYR   3   3.533   9.264   1.114
   12   2HB   TYR   3          2HB       TYR   3   4.787   8.876  -0.046
   13    HD1  TYR   3           HD1      TYR   3   4.488   9.873  -2.110
   14    HD2  TYR   3           HD2      TYR   3   1.038   8.565   0.056
   15    HE1  TYR   3           HE1      TYR   3   2.986  10.685  -3.994
   16    HE2  TYR   3           HE2      TYR   3  -0.451   9.381  -1.835
   17    HH   TYR   3           HH       TYR   3   0.274   9.766  -4.658
   18    H    THR   4           H        THR   4   3.712   4.622   0.260
   19    HA   THR   4           HA       THR   4   3.752   4.816  -2.677
   20    HB   THR   4           HB       THR   4   4.731   2.624  -0.770
   21    HG1  THR   4           HG1      THR   4   6.112   4.499  -2.547
   22   1HG2  THR   4          1HG2      THR   4   4.889   3.017  -3.797
   23   2HG2  THR   4          2HG2      THR   4   6.032   1.980  -2.910
   24   3HG2  THR   4          3HG2      THR   4   4.297   1.587  -2.918
   25    H    GLY   5           H        GLY   5   1.403   5.181  -2.659
   26   1HA   GLY   5          1HA       GLY   5  -0.421   3.943  -3.527
   27   2HA   GLY   5          2HA       GLY   5   0.014   2.586  -2.507
   28    H    LEU   6           H        LEU   6  -1.725   5.627  -2.725
   29    HA   LEU   6           HA       LEU   6  -2.880   5.063  -0.105
   30   1HB   LEU   6          1HB       LEU   6  -0.990   6.918  -0.215
   31   2HB   LEU   6          2HB       LEU   6  -2.311   7.904  -0.808
   32    HG   LEU   6           HG       LEU   6  -2.307   6.403   1.825
   33   1HD1  LEU   6          1HD1      LEU   6  -1.865   9.343   1.238
   34   2HD1  LEU   6          2HD1      LEU   6  -2.096   8.639   2.857
   35   3HD1  LEU   6          3HD1      LEU   6  -0.676   8.187   1.884
   36   1HD2  LEU   6          1HD2      LEU   6  -4.304   8.345   0.634
   37   2HD2  LEU   6          2HD2      LEU   6  -4.556   6.621   0.996
   38   3HD2  LEU   6          3HD2      LEU   6  -4.314   7.783   2.323
   39    HA   PRO   7           HA       PRO   7  -5.835   5.957  -3.481
   40   1HB   PRO   7          1HB       PRO   7  -6.970   3.484  -3.744
   41   2HB   PRO   7          2HB       PRO   7  -5.682   4.063  -4.781
   42   1HG   PRO   7          1HG       PRO   7  -5.544   2.100  -2.576
   43   2HG   PRO   7          2HG       PRO   7  -4.401   2.372  -3.876
   44   1HD   PRO   7          1HD       PRO   7  -4.134   3.222  -1.149
   45   2HD   PRO   7          2HD       PRO   7  -3.048   3.592  -2.473
   46    H    ASN   8           H        ASN   8  -5.915   4.556  -0.384
   47    HA   ASN   8           HA       ASN   8  -8.215   6.054   0.216
   48   1HB   ASN   8          1HB       ASN   8  -9.273   3.659   1.093
   49   2HB   ASN   8          2HB       ASN   8  -9.754   4.448  -0.396
   50   1HD2  ASN   8          1HD2      ASN   8  -9.544   3.397  -2.227
   51   2HD2  ASN   8          2HD2      ASN   8  -8.605   1.970  -2.508
   52    H    LYS   9           H        LYS   9  -6.249   3.105   1.034
   53    HA   LYS   9           HA       LYS   9  -5.211   4.274   3.373
   54   1HB   LYS   9          1HB       LYS   9  -6.530   3.576   5.042
   55   2HB   LYS   9          2HB       LYS   9  -7.768   3.420   3.812
   56   1HG   LYS   9          1HG       LYS   9  -5.839   1.142   4.400
   57   2HG   LYS   9          2HG       LYS   9  -7.297   1.361   5.345
   58   1HD   LYS   9          1HD       LYS   9  -7.592   1.408   2.351
   59   2HD   LYS   9          2HD       LYS   9  -7.234  -0.140   3.090
   60   1HE   LYS   9          1HE       LYS   9  -9.206   0.024   4.544
   61   2HE   LYS   9          2HE       LYS   9  -9.512   1.668   4.020
   62   1HZ   LYS   9          1HZ       LYS   9 -10.876  -0.052   2.854
   63   2HZ   LYS   9          2HZ       LYS   9 -10.022   0.876   1.822
   64    H    LYS  10           H        LYS  10  -3.461   3.040   4.190
   65    HA   LYS  10           HA       LYS  10  -1.844   1.733   2.708
   66   1HB   LYS  10          1HB       LYS  10  -1.168   0.292   4.612
   67   2HB   LYS  10          2HB       LYS  10  -1.413   1.969   5.057
   68   1HG   LYS  10          1HG       LYS  10  -3.944   0.605   5.331
   69   2HG   LYS  10          2HG       LYS  10  -2.723  -0.371   6.122
   70   1HD   LYS  10          1HD       LYS  10  -1.958   1.628   7.416
   71   2HD   LYS  10          2HD       LYS  10  -3.171   2.611   6.620
   72   1HE   LYS  10          1HE       LYS  10  -4.975   1.154   7.568
   73   2HE   LYS  10          2HE       LYS  10  -3.761   0.167   8.360
   74   1HZ   LYS  10          1HZ       LYS  10  -4.331   3.026   8.911
   75   2HZ   LYS  10          2HZ       LYS  10  -4.530   1.775   9.934
   76    HA   PRO  11           HA       PRO  11  -4.402  -1.417   0.944
   77   1HB   PRO  11          1HB       PRO  11  -3.086  -1.573  -1.445
   78   2HB   PRO  11          2HB       PRO  11  -4.427  -0.482  -1.160
   79   1HG   PRO  11          1HG       PRO  11  -1.542   0.134  -1.332
   80   2HG   PRO  11          2HG       PRO  11  -2.907   1.223  -1.474
   81   1HD   PRO  11          1HD       PRO  11  -1.185   0.917   0.800
   82   2HD   PRO  11          2HD       PRO  11  -2.620   1.920   0.699
   83    H    ASN  12           H        ASN  12  -1.039  -1.649  -0.110
   84    HA   ASN  12           HA       ASN  12  -1.124  -4.356   0.942
   85   1HB   ASN  12          1HB       ASN  12   0.658  -4.876  -0.621
   86   2HB   ASN  12          2HB       ASN  12  -0.516  -3.930  -1.514
   87   1HD2  ASN  12          1HD2      ASN  12  -0.075  -1.842  -2.132
   88   2HD2  ASN  12          2HD2      ASN  12   1.509  -1.143  -2.093
   89    H    VAL  13           H        VAL  13   0.468  -1.170   1.066
   90    HA   VAL  13           HA       VAL  13   2.787  -1.941   2.448
   91    HB   VAL  13           HB       VAL  13   3.129   0.368   2.777
   92   1HG1  VAL  13          1HG1      VAL  13   2.902  -0.614   0.349
   93   2HG1  VAL  13          2HG1      VAL  13   1.494   0.472   0.258
   94   3HG1  VAL  13          3HG1      VAL  13   3.110   1.137   0.594
   95   1HG2  VAL  13          1HG2      VAL  13   1.152   1.114   3.842
   96   2HG2  VAL  13          2HG2      VAL  13   1.242   2.030   2.319
   97   3HG2  VAL  13          3HG2      VAL  13   0.132   0.647   2.460
   98    HA   PRO  14           HA       PRO  14   1.352  -2.405   6.496
   99   1HB   PRO  14          1HB       PRO  14   3.438  -1.501   8.011
  100   2HB   PRO  14          2HB       PRO  14   3.416  -3.083   7.257
  101   1HG   PRO  14          1HG       PRO  14   4.924  -0.670   6.456
  102   2HG   PRO  14          2HG       PRO  14   5.199  -2.339   5.998
  103   1HD   PRO  14          1HD       PRO  14   3.985  -0.295   4.392
  104   2HD   PRO  14          2HD       PRO  14   4.156  -1.990   3.979
  105    H    THR  15           H        THR  15   2.982   0.733   6.366
  106    HA   THR  15           HA       THR  15   0.500   1.950   7.269
  107    HB   THR  15           HB       THR  15   3.146   2.244   8.785
  108    HG1  THR  15           HG1      THR  15   0.573   1.049   9.517
  109   1HG2  THR  15          1HG2      THR  15   1.768   4.246   9.079
  110   2HG2  THR  15          2HG2      THR  15   0.298   3.260   9.261
  111   3HG2  THR  15          3HG2      THR  15   1.551   3.232  10.525
  112    H    ILE  16           H        ILE  16   0.464   2.752   5.095
  113    HA   ILE  16           HA       ILE  16   0.944   4.182   3.475
  114    HB   ILE  16           HB       ILE  16   1.985   5.979   5.659
  115   1HG1  ILE  16          1HG1      ILE  16  -0.153   4.833   6.314
  116   2HG1  ILE  16          2HG1      ILE  16  -0.234   6.582   6.241
  117   1HG2  ILE  16          1HG2      ILE  16   0.739   7.675   4.167
  118   2HG2  ILE  16          2HG2      ILE  16   2.314   7.054   3.619
  119   3HG2  ILE  16          3HG2      ILE  16   0.810   6.408   2.920
  120   1HD1  ILE  16          1HD1      ILE  16  -2.182   5.292   5.151
  121   2HD1  ILE  16          2HD1      ILE  16  -1.422   6.559   4.158
  122   3HD1  ILE  16          3HD1      ILE  16  -1.029   4.848   3.869
  123    H    ARG  17           H        ARG  17   3.095   2.243   4.504
  124    HA   ARG  17           HA       ARG  17   5.106   1.691   3.945
  125   1HB   ARG  17          1HB       ARG  17   4.247   3.001   1.710
  126   2HB   ARG  17          2HB       ARG  17   5.603   4.034   2.121
  127   1HG   ARG  17          1HG       ARG  17   6.483   1.306   2.412
  128   2HG   ARG  17          2HG       ARG  17   5.645   1.423   0.877
  129   1HD   ARG  17          1HD       ARG  17   7.059   3.454   0.314
  130   2HD   ARG  17          2HD       ARG  17   7.947   3.209   1.805
  131    HE   ARG  17           HE       ARG  17   7.945   0.742   0.362
  132   1HH1  ARG  17          1HH1      ARG  17   9.315   4.000   0.114
  133   2HH1  ARG  17          2HH1      ARG  17  10.700   3.483  -0.788
  134   1HH2  ARG  17          1HH2      ARG  17  10.948   1.163  -1.331
  135    H    THR  18           H        THR  18   4.594   3.703   6.019
  136    HA   THR  18           HA       THR  18   7.004   5.330   6.035
  137    HB   THR  18           HB       THR  18   4.570   6.271   6.458
  138    HG1  THR  18           HG1      THR  18   5.757   7.847   7.553
  139   1HG2  THR  18          1HG2      THR  18   5.320   5.396   9.286
  140   2HG2  THR  18          2HG2      THR  18   3.823   6.196   8.750
  141   3HG2  THR  18          3HG2      THR  18   4.132   4.499   8.310
  142    H    ALA  19           H        ALA  19   5.385   2.596   7.575
  143    HA   ALA  19           HA       ALA  19   7.182   2.559   9.804
  144   1HB   ALA  19          1HB       ALA  19   6.061   0.320  10.183
  145   2HB   ALA  19          2HB       ALA  19   4.946   1.705  10.092
  146   3HB   ALA  19          3HB       ALA  19   5.124   0.613   8.698
  147    H    LYS  20           H        LYS  20   6.766   0.748   6.698
  148    HA   LYS  20           HA       LYS  20   9.495  -0.265   7.107
  149   1HB   LYS  20          1HB       LYS  20   7.492  -1.911   7.113
  150   2HB   LYS  20          2HB       LYS  20   7.420  -1.620   5.388
  151   1HG   LYS  20          1HG       LYS  20   9.913  -2.205   5.278
  152   2HG   LYS  20          2HG       LYS  20   9.808  -2.693   6.958
  153   1HD   LYS  20          1HD       LYS  20   7.915  -4.281   6.286
  154   2HD   LYS  20          2HD       LYS  20   8.260  -3.888   4.614
  155   1HE   LYS  20          1HE       LYS  20  10.658  -4.641   4.990
  156   2HE   LYS  20          2HE       LYS  20  10.205  -5.149   6.605
  157   1HZ   LYS  20          1HZ       LYS  20   9.132  -6.229   4.059
  158   2HZ   LYS  20          2HZ       LYS  20  10.010  -7.035   5.169
  159    H    VAL  21           H        VAL  21  10.130   1.903   6.224
  160    HA   VAL  21           HA       VAL  21   9.387   2.639   3.618
  161    HB   VAL  21           HB       VAL  21  11.654   3.351   5.468
  162   1HG1  VAL  21          1HG1      VAL  21  12.064   5.273   3.828
  163   2HG1  VAL  21          2HG1      VAL  21  12.669   3.667   3.357
  164   3HG1  VAL  21          3HG1      VAL  21  11.169   4.300   2.636
  165   1HG2  VAL  21          1HG2      VAL  21   9.265   4.094   5.912
  166   2HG2  VAL  21          2HG2      VAL  21  10.481   5.391   5.808
  167   3HG2  VAL  21          3HG2      VAL  21   9.391   5.079   4.436
  168    H    GLN  22           H        GLN  22  11.906   0.501   4.973
  169    HA   GLN  22           HA       GLN  22  13.377  -0.808   4.053
  170   1HB   GLN  22          1HB       GLN  22  11.157  -1.668   3.040
  171   2HB   GLN  22          2HB       GLN  22  11.649  -0.885   1.551
  172   1HG   GLN  22          1HG       GLN  22  13.854  -2.199   1.716
  173   2HG   GLN  22          2HG       GLN  22  13.130  -3.102   3.032
  174   1HE2  GLN  22          1HE2      GLN  22  11.001  -4.107   2.603
  175   2HE2  GLN  22          2HE2      GLN  22  10.711  -4.817   1.049
  Start of MODEL    7
    1   1H    GLY   1          1H        GLY   1   9.270   7.561   6.448
    2   1HA   GLY   1          1HA       GLY   1   8.975   9.122   4.601
    3   2HA   GLY   1          2HA       GLY   1   8.926   7.463   4.039
    4    H    ALA   2           H        ALA   2   6.693   6.389   3.938
    5    HA   ALA   2           HA       ALA   2   4.588   6.354   3.253
    6   1HB   ALA   2          1HB       ALA   2   3.146   7.656   4.420
    7   2HB   ALA   2          2HB       ALA   2   4.602   8.290   5.222
    8   3HB   ALA   2          3HB       ALA   2   3.896   9.163   3.842
    9    H    TYR   3           H        TYR   3   4.299   6.212   1.090
   10    HA   TYR   3           HA       TYR   3   3.987   8.508  -0.505
   11   1HB   TYR   3          1HB       TYR   3   6.441   8.641  -0.369
   12   2HB   TYR   3          2HB       TYR   3   6.605   6.902  -0.515
   13    HD1  TYR   3           HD1      TYR   3   5.504   9.922  -2.427
   14    HD2  TYR   3           HD2      TYR   3   7.008   5.921  -2.613
   15    HE1  TYR   3           HE1      TYR   3   5.846  10.159  -4.935
   16    HE2  TYR   3           HE2      TYR   3   7.344   6.171  -5.120
   17    HH   TYR   3           HH       TYR   3   5.964   8.017  -6.945
   18    H    THR   4           H        THR   4   4.482   5.030  -0.052
   19    HA   THR   4           HA       THR   4   3.218   4.525  -2.655
   20    HB   THR   4           HB       THR   4   4.693   2.649  -0.731
   21    HG1  THR   4           HG1      THR   4   5.449   3.869  -3.286
   22   1HG2  THR   4          1HG2      THR   4   3.742   2.414  -3.629
   23   2HG2  THR   4          2HG2      THR   4   4.991   1.354  -2.932
   24   3HG2  THR   4          3HG2      THR   4   3.338   1.334  -2.272
   25    H    GLY   5           H        GLY   5   1.290   3.423  -2.867
   26   1HA   GLY   5          1HA       GLY   5  -0.739   2.669  -2.265
   27   2HA   GLY   5          2HA       GLY   5  -0.011   2.062  -0.792
   28    H    LEU   6           H        LEU   6  -1.707   4.792  -2.318
   29    HA   LEU   6           HA       LEU   6  -2.585   5.633   0.303
   30   1HB   LEU   6          1HB       LEU   6  -0.371   6.853  -0.574
   31   2HB   LEU   6          2HB       LEU   6  -1.559   7.829  -1.416
   32    HG   LEU   6           HG       LEU   6  -1.630   7.345   1.572
   33   1HD1  LEU   6          1HD1      LEU   6  -0.627   9.564   1.843
   34   2HD1  LEU   6          2HD1      LEU   6   0.472   8.446   0.999
   35   3HD1  LEU   6          3HD1      LEU   6  -0.414   9.686   0.079
   36   1HD2  LEU   6          1HD2      LEU   6  -3.049   9.408   1.534
   37   2HD2  LEU   6          2HD2      LEU   6  -3.067   9.296  -0.243
   38   3HD2  LEU   6          3HD2      LEU   6  -3.775   7.991   0.740
   39    HA   PRO   7           HA       PRO   7  -5.411   5.961  -3.358
   40   1HB   PRO   7          1HB       PRO   7  -6.704   3.554  -3.308
   41   2HB   PRO   7          2HB       PRO   7  -5.368   3.902  -4.388
   42   1HG   PRO   7          1HG       PRO   7  -5.386   2.253  -1.935
   43   2HG   PRO   7          2HG       PRO   7  -4.212   2.272  -3.236
   44   1HD   PRO   7          1HD       PRO   7  -3.921   3.465  -0.644
   45   2HD   PRO   7          2HD       PRO   7  -2.798   3.583  -1.984
   46    H    ASN   8           H        ASN   8  -5.913   4.448  -0.247
   47    HA   ASN   8           HA       ASN   8  -7.819   6.421   0.371
   48   1HB   ASN   8          1HB       ASN   8  -9.138   4.687  -1.050
   49   2HB   ASN   8          2HB       ASN   8  -8.888   3.560   0.267
   50   1HD2  ASN   8          1HD2      ASN   8  -9.837   3.908   2.273
   51   2HD2  ASN   8          2HD2      ASN   8 -11.178   4.980   2.507
   52    H    LYS   9           H        LYS   9  -6.190   3.288   0.931
   53    HA   LYS   9           HA       LYS   9  -5.522   3.977   3.579
   54   1HB   LYS   9          1HB       LYS   9  -6.761   2.171   4.744
   55   2HB   LYS   9          2HB       LYS   9  -7.796   3.447   4.138
   56   1HG   LYS   9          1HG       LYS   9  -9.016   1.781   3.173
   57   2HG   LYS   9          2HG       LYS   9  -7.740   1.710   1.974
   58   1HD   LYS   9          1HD       LYS   9  -6.533   0.019   3.424
   59   2HD   LYS   9          2HD       LYS   9  -7.896   0.038   4.527
   60   1HE   LYS   9          1HE       LYS   9  -9.403  -0.677   2.634
   61   2HE   LYS   9          2HE       LYS   9  -8.008  -0.756   1.576
   62   1HZ   LYS   9          1HZ       LYS   9  -8.621  -2.922   2.632
   63   2HZ   LYS   9          2HZ       LYS   9  -7.078  -2.495   2.930
   64    H    LYS  10           H        LYS  10  -3.802   2.698   4.314
   65    HA   LYS  10           HA       LYS  10  -2.071   1.627   2.676
   66   1HB   LYS  10          1HB       LYS  10  -1.255   0.211   4.505
   67   2HB   LYS  10          2HB       LYS  10  -1.693   1.812   5.065
   68   1HG   LYS  10          1HG       LYS  10  -4.085   0.333   5.301
   69   2HG   LYS  10          2HG       LYS  10  -2.840  -0.797   5.798
   70   1HD   LYS  10          1HD       LYS  10  -1.942   0.912   7.401
   71   2HD   LYS  10          2HD       LYS  10  -3.204   2.026   6.913
   72   1HE   LYS  10          1HE       LYS  10  -4.942   0.388   7.678
   73   2HE   LYS  10          2HE       LYS  10  -3.676  -0.717   8.176
   74   1HZ   LYS  10          1HZ       LYS  10  -4.201   1.974   9.308
   75   2HZ   LYS  10          2HZ       LYS  10  -4.327   0.547  10.082
   76    HA   PRO  11           HA       PRO  11  -4.444  -1.586   0.795
   77   1HB   PRO  11          1HB       PRO  11  -3.047  -1.659  -1.553
   78   2HB   PRO  11          2HB       PRO  11  -4.428  -0.612  -1.292
   79   1HG   PRO  11          1HG       PRO  11  -1.557   0.089  -1.358
   80   2HG   PRO  11          2HG       PRO  11  -2.947   1.141  -1.525
   81   1HD   PRO  11          1HD       PRO  11  -1.292   0.837   0.799
   82   2HD   PRO  11          2HD       PRO  11  -2.749   1.803   0.669
   83    H    ASN  12           H        ASN  12  -1.038  -1.697  -0.138
   84    HA   ASN  12           HA       ASN  12  -1.079  -4.422   0.875
   85   1HB   ASN  12          1HB       ASN  12  -0.447  -4.082  -1.542
   86   2HB   ASN  12          2HB       ASN  12   0.883  -3.054  -1.043
   87   1HD2  ASN  12          1HD2      ASN  12   2.709  -3.907  -0.141
   88   2HD2  ASN  12          2HD2      ASN  12   3.079  -5.599  -0.111
   89    H    VAL  13           H        VAL  13   0.691  -1.275   0.816
   90    HA   VAL  13           HA       VAL  13   2.907  -1.975   2.301
   91    HB   VAL  13           HB       VAL  13   3.188   0.348   2.666
   92   1HG1  VAL  13          1HG1      VAL  13   3.052  -0.650   0.231
   93   2HG1  VAL  13          2HG1      VAL  13   1.635   0.420   0.097
   94   3HG1  VAL  13          3HG1      VAL  13   3.233   1.103   0.484
   95   1HG2  VAL  13          1HG2      VAL  13   1.168   1.055   3.663
   96   2HG2  VAL  13          2HG2      VAL  13   1.271   1.959   2.133
   97   3HG2  VAL  13          3HG2      VAL  13   0.196   0.545   2.261
   98    HA   PRO  14           HA       PRO  14   1.514  -2.408   6.368
   99   1HB   PRO  14          1HB       PRO  14   3.471  -1.251   7.885
  100   2HB   PRO  14          2HB       PRO  14   3.626  -2.846   7.174
  101   1HG   PRO  14          1HG       PRO  14   4.885  -0.308   6.328
  102   2HG   PRO  14          2HG       PRO  14   5.341  -1.950   5.917
  103   1HD   PRO  14          1HD       PRO  14   3.944  -0.087   4.243
  104   2HD   PRO  14          2HD       PRO  14   4.297  -1.763   3.877
  105    H    THR  15           H        THR  15   2.835   0.874   6.229
  106    HA   THR  15           HA       THR  15   0.216   1.857   7.030
  107    HB   THR  15           HB       THR  15   2.776   2.406   8.624
  108    HG1  THR  15           HG1      THR  15   2.054   0.585   9.651
  109   1HG2  THR  15          1HG2      THR  15   1.223   3.452  10.243
  110   2HG2  THR  15          2HG2      THR  15   1.071   4.271   8.670
  111   3HG2  THR  15          3HG2      THR  15  -0.159   3.090   9.180
  112    H    ILE  16           H        ILE  16   0.218   2.583   4.810
  113    HA   ILE  16           HA       ILE  16   0.625   4.023   3.179
  114    HB   ILE  16           HB       ILE  16   1.368   6.033   5.285
  115   1HG1  ILE  16          1HG1      ILE  16  -0.539   4.599   6.086
  116   2HG1  ILE  16          2HG1      ILE  16  -0.891   6.309   5.939
  117   1HG2  ILE  16          1HG2      ILE  16  -0.127   7.455   3.783
  118   2HG2  ILE  16          2HG2      ILE  16   1.458   6.969   3.132
  119   3HG2  ILE  16          3HG2      ILE  16  -0.018   6.124   2.605
  120   1HD1  ILE  16          1HD1      ILE  16  -2.674   4.738   4.999
  121   2HD1  ILE  16          2HD1      ILE  16  -2.100   5.989   3.872
  122   3HD1  ILE  16          3HD1      ILE  16  -1.513   4.316   3.719
  123    H    ARG  17           H        ARG  17   2.927   2.383   4.399
  124    HA   ARG  17           HA       ARG  17   5.010   2.051   3.923
  125   1HB   ARG  17          1HB       ARG  17   4.195   3.187   1.637
  126   2HB   ARG  17          2HB       ARG  17   5.238   4.499   2.150
  127   1HG   ARG  17          1HG       ARG  17   6.901   2.354   2.599
  128   2HG   ARG  17          2HG       ARG  17   5.959   1.740   1.254
  129   1HD   ARG  17          1HD       ARG  17   7.779   2.864   0.208
  130   2HD   ARG  17          2HD       ARG  17   6.454   4.002   0.072
  131    HE   ARG  17           HE       ARG  17   7.785   4.541   2.530
  132   1HH1  ARG  17          1HH1      ARG  17   8.441   4.734  -0.946
  133   2HH1  ARG  17          2HH1      ARG  17   9.572   6.036  -0.787
  134   1HH2  ARG  17          1HH2      ARG  17  10.048   6.917   1.390
  135    H    THR  18           H        THR  18   4.212   3.767   6.156
  136    HA   THR  18           HA       THR  18   6.488   5.629   6.290
  137    HB   THR  18           HB       THR  18   3.890   6.265   6.570
  138    HG1  THR  18           HG1      THR  18   4.817   8.016   7.736
  139   1HG2  THR  18          1HG2      THR  18   4.777   5.518   9.405
  140   2HG2  THR  18          2HG2      THR  18   3.251   6.313   8.945
  141   3HG2  THR  18          3HG2      THR  18   3.548   4.620   8.483
  142    H    ALA  19           H        ALA  19   4.872   2.834   7.795
  143    HA   ALA  19           HA       ALA  19   6.456   2.857  10.134
  144   1HB   ALA  19          1HB       ALA  19   4.786   0.759   8.709
  145   2HB   ALA  19          2HB       ALA  19   5.616   0.446  10.252
  146   3HB   ALA  19          3HB       ALA  19   4.361   1.704  10.156
  147    H    LYS  20           H        LYS  20   6.603   0.915   7.064
  148    HA   LYS  20           HA       LYS  20   9.475   0.622   7.584
  149   1HB   LYS  20          1HB       LYS  20   8.188  -1.456   8.170
  150   2HB   LYS  20          2HB       LYS  20   7.681  -1.565   6.497
  151   1HG   LYS  20          1HG       LYS  20  10.594  -1.156   6.754
  152   2HG   LYS  20          2HG       LYS  20  10.054  -2.606   7.577
  153   1HD   LYS  20          1HD       LYS  20   8.903  -3.373   5.502
  154   2HD   LYS  20          2HD       LYS  20   9.397  -1.910   4.675
  155   1HE   LYS  20          1HE       LYS  20  11.803  -2.523   5.035
  156   2HE   LYS  20          2HE       LYS  20  11.303  -3.991   5.851
  157   1HZ   LYS  20          1HZ       LYS  20  10.863  -3.310   3.001
  158   2HZ   LYS  20          2HZ       LYS  20  11.696  -4.575   3.598
  159    H    VAL  21           H        VAL  21  10.359   1.986   6.103
  160    HA   VAL  21           HA       VAL  21   9.099   2.571   3.649
  161    HB   VAL  21           HB       VAL  21  11.854   3.042   4.782
  162   1HG1  VAL  21          1HG1      VAL  21  12.307   3.007   2.475
  163   2HG1  VAL  21          2HG1      VAL  21  10.752   3.767   2.063
  164   3HG1  VAL  21          3HG1      VAL  21  12.033   4.726   2.841
  165   1HG2  VAL  21          1HG2      VAL  21  11.113   5.328   5.037
  166   2HG2  VAL  21          2HG2      VAL  21   9.588   4.974   4.191
  167   3HG2  VAL  21          3HG2      VAL  21   9.911   4.249   5.785
  168    H    GLN  22           H        GLN  22   9.321   1.684   1.617
  169    HA   GLN  22           HA       GLN  22  11.302  -0.434   1.381
  170   1HB   GLN  22          1HB       GLN  22   8.990  -1.373   1.830
  171   2HB   GLN  22          2HB       GLN  22   8.444  -0.633   0.339
  172   1HG   GLN  22          1HG       GLN  22  10.231  -1.927  -0.906
  173   2HG   GLN  22          2HG       GLN  22  10.656  -2.724   0.595
  174   1HE2  GLN  22          1HE2      GLN  22   8.906  -3.845   1.761
  175   2HE2  GLN  22          2HE2      GLN  22   7.702  -4.699   0.853
  Start of MODEL    8
    1   1H    GLY   1          1H        GLY   1   8.923   8.202   5.311
    2   1HA   GLY   1          1HA       GLY   1   6.885   8.581   4.031
    3   2HA   GLY   1          2HA       GLY   1   8.069   9.834   3.715
    4    H    ALA   2           H        ALA   2   6.990   6.580   2.530
    5    HA   ALA   2           HA       ALA   2   7.927   7.361  -0.137
    6   1HB   ALA   2          1HB       ALA   2   8.899   5.294   0.602
    7   2HB   ALA   2          2HB       ALA   2   7.326   4.682   1.169
    8   3HB   ALA   2          3HB       ALA   2   7.632   4.871  -0.575
    9    H    TYR   3           H        TYR   3   5.118   6.194   1.786
   10    HA   TYR   3           HA       TYR   3   2.953   6.036   1.298
   11   1HB   TYR   3          1HB       TYR   3   3.966   8.534  -0.162
   12   2HB   TYR   3          2HB       TYR   3   2.261   8.130  -0.228
   13    HD1  TYR   3           HD1      TYR   3   0.850   9.059   1.367
   14    HD2  TYR   3           HD2      TYR   3   4.993   8.561   2.314
   15    HE1  TYR   3           HE1      TYR   3   0.492  10.240   3.590
   16    HE2  TYR   3           HE2      TYR   3   4.620   9.745   4.533
   17    HH   TYR   3           HH       TYR   3   2.491  11.650   5.221
   18    H    THR   4           H        THR   4   3.049   4.028   0.114
   19    HA   THR   4           HA       THR   4   3.723   3.494  -2.393
   20    HB   THR   4           HB       THR   4   1.021   2.466  -1.861
   21    HG1  THR   4           HG1      THR   4   1.255   2.550   0.338
   22   1HG2  THR   4          1HG2      THR   4   2.975   1.242  -3.002
   23   2HG2  THR   4          2HG2      THR   4   3.742   1.146  -1.399
   24   3HG2  THR   4          3HG2      THR   4   2.185   0.333  -1.691
   25    H    GLY   5           H        GLY   5   0.436   4.836  -1.625
   26   1HA   GLY   5          1HA       GLY   5   0.516   6.656  -3.795
   27   2HA   GLY   5          2HA       GLY   5  -0.360   5.211  -4.257
   28    H    LEU   6           H        LEU   6  -0.760   5.217  -0.983
   29    HA   LEU   6           HA       LEU   6  -2.693   5.444   0.145
   30   1HB   LEU   6          1HB       LEU   6  -1.105   7.542   0.359
   31   2HB   LEU   6          2HB       LEU   6  -2.458   8.374  -0.383
   32    HG   LEU   6           HG       LEU   6  -2.627   6.743   2.167
   33   1HD1  LEU   6          1HD1      LEU   6  -2.813   8.926   3.313
   34   2HD1  LEU   6          2HD1      LEU   6  -1.228   8.679   2.541
   35   3HD1  LEU   6          3HD1      LEU   6  -2.435   9.741   1.777
   36   1HD2  LEU   6          1HD2      LEU   6  -4.750   6.769   1.045
   37   2HD2  LEU   6          2HD2      LEU   6  -4.823   7.888   2.428
   38   3HD2  LEU   6          3HD2      LEU   6  -4.642   8.525   0.776
   39    HA   PRO   7           HA       PRO   7  -5.343   6.109  -3.529
   40   1HB   PRO   7          1HB       PRO   7  -6.024   3.519  -4.072
   41   2HB   PRO   7          2HB       PRO   7  -4.738   4.366  -4.907
   42   1HG   PRO   7          1HG       PRO   7  -4.533   2.286  -2.816
   43   2HG   PRO   7          2HG       PRO   7  -3.310   2.830  -3.947
   44   1HD   PRO   7          1HD       PRO   7  -3.495   3.501  -1.164
   45   2HD   PRO   7          2HD       PRO   7  -2.341   4.136  -2.321
   46    H    ASN   8           H        ASN   8  -5.531   4.590  -0.519
   47    HA   ASN   8           HA       ASN   8  -8.123   5.610  -0.172
   48   1HB   ASN   8          1HB       ASN   8  -8.745   3.541  -1.420
   49   2HB   ASN   8          2HB       ASN   8  -7.803   2.564  -0.311
   50   1HD2  ASN   8          1HD2      ASN   8 -10.476   4.885  -0.469
   51   2HD2  ASN   8          2HD2      ASN   8 -11.415   4.241   0.838
   52    H    LYS   9           H        LYS   9  -5.885   2.916   0.851
   53    HA   LYS   9           HA       LYS   9  -5.034   4.106   3.180
   54   1HB   LYS   9          1HB       LYS   9  -6.561   3.780   4.768
   55   2HB   LYS   9          2HB       LYS   9  -7.703   3.410   3.492
   56   1HG   LYS   9          1HG       LYS   9  -5.855   1.250   4.559
   57   2HG   LYS   9          2HG       LYS   9  -7.322   1.658   5.424
   58   1HD   LYS   9          1HD       LYS   9  -7.599   1.214   2.467
   59   2HD   LYS   9          2HD       LYS   9  -7.239  -0.201   3.435
   60   1HE   LYS   9          1HE       LYS   9  -9.207   0.211   4.863
   61   2HE   LYS   9          2HE       LYS   9  -9.527   1.729   4.050
   62   1HZ   LYS   9          1HZ       LYS   9 -10.872  -0.186   3.213
   63   2HZ   LYS   9          2HZ       LYS   9 -10.024   0.547   2.031
   64    H    LYS  10           H        LYS  10  -3.360   2.890   4.076
   65    HA   LYS  10           HA       LYS  10  -1.788   1.330   2.940
   66   1HB   LYS  10          1HB       LYS  10  -1.467  -0.100   4.948
   67   2HB   LYS  10          2HB       LYS  10  -1.598   1.610   5.312
   68   1HG   LYS  10          1HG       LYS  10  -4.243   0.344   5.313
   69   2HG   LYS  10          2HG       LYS  10  -3.159  -0.491   6.406
   70   1HD   LYS  10          1HD       LYS  10  -2.578   1.690   7.494
   71   2HD   LYS  10          2HD       LYS  10  -3.667   2.523   6.402
   72   1HE   LYS  10          1HE       LYS  10  -5.585   1.172   7.285
   73   2HE   LYS  10          2HE       LYS  10  -4.495   0.343   8.378
   74   1HZ   LYS  10          1HZ       LYS  10  -3.992   2.501   9.414
   75   2HZ   LYS  10          2HZ       LYS  10  -5.004   3.271   8.396
   76    HA   PRO  11           HA       PRO  11  -4.517  -1.624   1.028
   77   1HB   PRO  11          1HB       PRO  11  -3.202  -1.756  -1.364
   78   2HB   PRO  11          2HB       PRO  11  -4.516  -0.638  -1.053
   79   1HG   PRO  11          1HG       PRO  11  -1.615  -0.091  -1.209
   80   2HG   PRO  11          2HG       PRO  11  -2.953   1.036  -1.324
   81   1HD   PRO  11          1HD       PRO  11  -1.242   0.630   0.941
   82   2HD   PRO  11          2HD       PRO  11  -2.649   1.671   0.864
   83    H    ASN  12           H        ASN  12  -1.055  -1.785   0.302
   84    HA   ASN  12           HA       ASN  12  -1.146  -4.433   1.495
   85   1HB   ASN  12          1HB       ASN  12   0.317  -5.305  -0.312
   86   2HB   ASN  12          2HB       ASN  12  -1.171  -4.682  -0.996
   87   1HD2  ASN  12          1HD2      ASN  12  -1.187  -2.585  -1.952
   88   2HD2  ASN  12          2HD2      ASN  12   0.244  -1.906  -2.652
   89    H    VAL  13           H        VAL  13  -0.326  -2.023   2.780
   90    HA   VAL  13           HA       VAL  13   2.571  -2.452   2.919
   91    HB   VAL  13           HB       VAL  13   2.967  -0.106   3.078
   92   1HG1  VAL  13          1HG1      VAL  13   1.081  -0.411   0.731
   93   2HG1  VAL  13          2HG1      VAL  13   2.562   0.568   0.843
   94   3HG1  VAL  13          3HG1      VAL  13   2.671  -1.208   0.794
   95   1HG2  VAL  13          1HG2      VAL  13   1.111   1.553   2.749
   96   2HG2  VAL  13          2HG2      VAL  13  -0.047   0.215   2.937
   97   3HG2  VAL  13          3HG2      VAL  13   1.031   0.655   4.284
   98    HA   PRO  14           HA       PRO  14   1.924  -2.477   7.194
   99   1HB   PRO  14          1HB       PRO  14   4.103  -1.205   8.244
  100   2HB   PRO  14          2HB       PRO  14   4.146  -2.857   7.660
  101   1HG   PRO  14          1HG       PRO  14   5.221  -0.414   6.390
  102   2HG   PRO  14          2HG       PRO  14   5.612  -2.089   6.055
  103   1HD   PRO  14          1HD       PRO  14   3.936  -0.371   4.486
  104   2HD   PRO  14          2HD       PRO  14   4.234  -2.077   4.215
  105    H    THR  15           H        THR  15   3.169   0.770   6.531
  106    HA   THR  15           HA       THR  15   0.710   1.862   7.603
  107    HB   THR  15           HB       THR  15   3.446   2.316   8.909
  108    HG1  THR  15           HG1      THR  15   0.870   1.365   9.921
  109   1HG2  THR  15          1HG2      THR  15   1.941   3.544  10.615
  110   2HG2  THR  15          2HG2      THR  15   2.239   4.411   9.090
  111   3HG2  THR  15          3HG2      THR  15   0.693   3.568   9.348
  112    H    ILE  16           H        ILE  16   0.402   2.564   5.441
  113    HA   ILE  16           HA       ILE  16   0.703   3.860   3.661
  114    HB   ILE  16           HB       ILE  16   1.621   5.916   5.664
  115   1HG1  ILE  16          1HG1      ILE  16  -0.361   4.570   6.469
  116   2HG1  ILE  16          2HG1      ILE  16  -0.606   6.300   6.338
  117   1HG2  ILE  16          1HG2      ILE  16   0.194   7.384   4.141
  118   2HG2  ILE  16          2HG2      ILE  16   1.752   6.815   3.497
  119   3HG2  ILE  16          3HG2      ILE  16   0.238   6.032   2.984
  120   1HD1  ILE  16          1HD1      ILE  16  -2.474   4.802   5.387
  121   2HD1  ILE  16          2HD1      ILE  16  -1.873   6.085   4.311
  122   3HD1  ILE  16          3HD1      ILE  16  -1.342   4.404   4.073
  123    H    ARG  17           H        ARG  17   2.926   2.109   4.225
  124    HA   ARG  17           HA       ARG  17   5.044   1.810   3.833
  125   1HB   ARG  17          1HB       ARG  17   3.846   3.034   1.556
  126   2HB   ARG  17          2HB       ARG  17   5.422   3.786   1.701
  127   1HG   ARG  17          1HG       ARG  17   6.232   1.258   2.081
  128   2HG   ARG  17          2HG       ARG  17   4.741   0.879   1.244
  129   1HD   ARG  17          1HD       ARG  17   5.531   2.627  -0.544
  130   2HD   ARG  17          2HD       ARG  17   7.104   2.495   0.215
  131    HE   ARG  17           HE       ARG  17   6.166  -0.151  -0.263
  132   1HH1  ARG  17          1HH1      ARG  17   7.192   2.683  -2.126
  133   2HH1  ARG  17          2HH1      ARG  17   7.741   1.750  -3.477
  134   1HH2  ARG  17          1HH2      ARG  17   7.554  -0.638  -3.410
  135    H    THR  18           H        THR  18   5.412   3.040   5.996
  136    HA   THR  18           HA       THR  18   7.398   5.104   5.492
  137    HB   THR  18           HB       THR  18   5.011   6.124   5.862
  138    HG1  THR  18           HG1      THR  18   6.420   7.730   6.435
  139   1HG2  THR  18          1HG2      THR  18   4.504   4.600   7.876
  140   2HG2  THR  18          2HG2      THR  18   5.772   5.487   8.756
  141   3HG2  THR  18          3HG2      THR  18   4.321   6.344   8.185
  142    H    ALA  19           H        ALA  19   5.738   2.823   7.692
  143    HA   ALA  19           HA       ALA  19   7.723   3.043   9.714
  144   1HB   ALA  19          1HB       ALA  19   5.457   2.343  10.243
  145   2HB   ALA  19          2HB       ALA  19   5.573   0.973   9.113
  146   3HB   ALA  19          3HB       ALA  19   6.565   0.994  10.591
  147    H    LYS  20           H        LYS  20   6.931   0.477   7.258
  148    HA   LYS  20           HA       LYS  20   9.786  -0.196   7.286
  149   1HB   LYS  20          1HB       LYS  20   7.421  -2.008   7.672
  150   2HB   LYS  20          2HB       LYS  20   8.849  -2.617   6.858
  151   1HG   LYS  20          1HG       LYS  20  10.264  -2.118   8.769
  152   2HG   LYS  20          2HG       LYS  20   9.000  -1.184   9.545
  153   1HD   LYS  20          1HD       LYS  20   7.627  -3.200   9.867
  154   2HD   LYS  20          2HD       LYS  20   8.750  -4.166   8.931
  155   1HE   LYS  20          1HE       LYS  20  10.532  -3.786  10.617
  156   2HE   LYS  20          2HE       LYS  20   9.473  -2.731  11.532
  157   1HZ   LYS  20          1HZ       LYS  20   9.092  -5.639  11.081
  158   2HZ   LYS  20          2HZ       LYS  20   9.359  -4.897  12.506
  159    H    VAL  21           H        VAL  21   9.992   1.185   5.417
  160    HA   VAL  21           HA       VAL  21   8.361   0.813   3.146
  161    HB   VAL  21           HB       VAL  21  11.045   2.099   3.634
  162   1HG1  VAL  21          1HG1      VAL  21  10.646   3.179   1.354
  163   2HG1  VAL  21          2HG1      VAL  21  11.177   1.479   1.352
  164   3HG1  VAL  21          3HG1      VAL  21   9.467   1.879   1.060
  165   1HG2  VAL  21          1HG2      VAL  21   8.334   3.316   3.014
  166   2HG2  VAL  21          2HG2      VAL  21   9.021   3.144   4.646
  167   3HG2  VAL  21          3HG2      VAL  21   9.827   4.182   3.446
  168    H    GLN  22           H        GLN  22  11.400  -0.649   4.339
  169    HA   GLN  22           HA       GLN  22  11.964  -1.925   1.892
  170   1HB   GLN  22          1HB       GLN  22  13.665  -1.396   3.664
  171   2HB   GLN  22          2HB       GLN  22  12.937  -2.605   4.703
  172   1HG   GLN  22          1HG       GLN  22  13.435  -4.381   3.050
  173   2HG   GLN  22          2HG       GLN  22  14.065  -3.194   1.924
  174   1HE2  GLN  22          1HE2      GLN  22  14.465  -4.496   5.194
  175   2HE2  GLN  22          2HE2      GLN  22  16.179  -4.279   5.319
  Start of MODEL    9
    1   1H    GLY   1          1H        GLY   1   9.269   7.560   6.448
    2   1HA   GLY   1          1HA       GLY   1   8.975   9.122   4.602
    3   2HA   GLY   1          2HA       GLY   1   8.925   7.463   4.038
    4    H    ALA   2           H        ALA   2   6.693   6.389   3.937
    5    HA   ALA   2           HA       ALA   2   4.588   6.354   3.252
    6   1HB   ALA   2          1HB       ALA   2   3.146   7.656   4.419
    7   2HB   ALA   2          2HB       ALA   2   4.603   8.290   5.222
    8   3HB   ALA   2          3HB       ALA   2   3.895   9.163   3.842
    9    H    TYR   3           H        TYR   3   4.299   6.213   1.089
   10    HA   TYR   3           HA       TYR   3   3.987   8.507  -0.504
   11   1HB   TYR   3          1HB       TYR   3   6.441   8.641  -0.369
   12   2HB   TYR   3          2HB       TYR   3   6.604   6.902  -0.516
   13    HD1  TYR   3           HD1      TYR   3   5.505   9.923  -2.427
   14    HD2  TYR   3           HD2      TYR   3   7.008   5.921  -2.613
   15    HE1  TYR   3           HE1      TYR   3   5.846  10.159  -4.935
   16    HE2  TYR   3           HE2      TYR   3   7.344   6.172  -5.120
   17    HH   TYR   3           HH       TYR   3   5.964   8.017  -6.946
   18    H    THR   4           H        THR   4   4.482   5.029  -0.052
   19    HA   THR   4           HA       THR   4   3.218   4.524  -2.655
   20    HB   THR   4           HB       THR   4   4.693   2.650  -0.731
   21    HG1  THR   4           HG1      THR   4   5.449   3.869  -3.286
   22   1HG2  THR   4          1HG2      THR   4   3.742   2.413  -3.629
   23   2HG2  THR   4          2HG2      THR   4   4.991   1.354  -2.932
   24   3HG2  THR   4          3HG2      THR   4   3.338   1.335  -2.271
   25    H    GLY   5           H        GLY   5   1.290   3.424  -2.867
   26   1HA   GLY   5          1HA       GLY   5  -0.739   2.670  -2.266
   27   2HA   GLY   5          2HA       GLY   5  -0.011   2.062  -0.792
   28    H    LEU   6           H        LEU   6  -1.706   4.793  -2.318
   29    HA   LEU   6           HA       LEU   6  -2.585   5.633   0.303
   30   1HB   LEU   6          1HB       LEU   6  -0.372   6.854  -0.573
   31   2HB   LEU   6          2HB       LEU   6  -1.558   7.830  -1.416
   32    HG   LEU   6           HG       LEU   6  -1.629   7.346   1.572
   33   1HD1  LEU   6          1HD1      LEU   6  -0.627   9.564   1.842
   34   2HD1  LEU   6          2HD1      LEU   6   0.472   8.447   0.999
   35   3HD1  LEU   6          3HD1      LEU   6  -0.414   9.687   0.080
   36   1HD2  LEU   6          1HD2      LEU   6  -3.049   9.409   1.533
   37   2HD2  LEU   6          2HD2      LEU   6  -3.067   9.296  -0.243
   38   3HD2  LEU   6          3HD2      LEU   6  -3.774   7.991   0.739
   39    HA   PRO   7           HA       PRO   7  -5.410   5.961  -3.358
   40   1HB   PRO   7          1HB       PRO   7  -6.703   3.554  -3.309
   41   2HB   PRO   7          2HB       PRO   7  -5.368   3.903  -4.389
   42   1HG   PRO   7          1HG       PRO   7  -5.385   2.253  -1.935
   43   2HG   PRO   7          2HG       PRO   7  -4.212   2.273  -3.236
   44   1HD   PRO   7          1HD       PRO   7  -3.921   3.466  -0.644
   45   2HD   PRO   7          2HD       PRO   7  -2.798   3.583  -1.984
   46    H    ASN   8           H        ASN   8  -5.913   4.447  -0.248
   47    HA   ASN   8           HA       ASN   8  -7.819   6.421   0.371
   48   1HB   ASN   8          1HB       ASN   8  -9.138   4.688  -1.050
   49   2HB   ASN   8          2HB       ASN   8  -8.889   3.559   0.267
   50   1HD2  ASN   8          1HD2      ASN   8  -9.837   3.909   2.273
   51   2HD2  ASN   8          2HD2      ASN   8 -11.177   4.980   2.507
   52    H    LYS   9           H        LYS   9  -6.190   3.288   0.930
   53    HA   LYS   9           HA       LYS   9  -5.522   3.977   3.578
   54   1HB   LYS   9          1HB       LYS   9  -6.760   2.171   4.743
   55   2HB   LYS   9          2HB       LYS   9  -7.796   3.447   4.137
   56   1HG   LYS   9          1HG       LYS   9  -9.016   1.781   3.174
   57   2HG   LYS   9          2HG       LYS   9  -7.740   1.709   1.974
   58   1HD   LYS   9          1HD       LYS   9  -6.532   0.019   3.425
   59   2HD   LYS   9          2HD       LYS   9  -7.896   0.038   4.526
   60   1HE   LYS   9          1HE       LYS   9  -9.403  -0.676   2.634
   61   2HE   LYS   9          2HE       LYS   9  -8.008  -0.756   1.576
   62   1HZ   LYS   9          1HZ       LYS   9  -8.621  -2.922   2.632
   63   2HZ   LYS   9          2HZ       LYS   9  -7.078  -2.496   2.929
   64    H    LYS  10           H        LYS  10  -3.802   2.698   4.314
   65    HA   LYS  10           HA       LYS  10  -2.071   1.627   2.675
   66   1HB   LYS  10          1HB       LYS  10  -1.254   0.211   4.504
   67   2HB   LYS  10          2HB       LYS  10  -1.693   1.812   5.065
   68   1HG   LYS  10          1HG       LYS  10  -4.084   0.333   5.300
   69   2HG   LYS  10          2HG       LYS  10  -2.840  -0.796   5.798
   70   1HD   LYS  10          1HD       LYS  10  -1.942   0.912   7.401
   71   2HD   LYS  10          2HD       LYS  10  -3.203   2.026   6.913
   72   1HE   LYS  10          1HE       LYS  10  -4.941   0.388   7.678
   73   2HE   LYS  10          2HE       LYS  10  -3.676  -0.717   8.176
   74   1HZ   LYS  10          1HZ       LYS  10  -4.201   1.974   9.308
   75   2HZ   LYS  10          2HZ       LYS  10  -4.327   0.547  10.082
   76    HA   PRO  11           HA       PRO  11  -4.444  -1.586   0.795
   77   1HB   PRO  11          1HB       PRO  11  -3.047  -1.659  -1.553
   78   2HB   PRO  11          2HB       PRO  11  -4.428  -0.612  -1.292
   79   1HG   PRO  11          1HG       PRO  11  -1.557   0.088  -1.359
   80   2HG   PRO  11          2HG       PRO  11  -2.947   1.141  -1.524
   81   1HD   PRO  11          1HD       PRO  11  -1.292   0.838   0.798
   82   2HD   PRO  11          2HD       PRO  11  -2.749   1.803   0.669
   83    H    ASN  12           H        ASN  12  -1.038  -1.697  -0.138
   84    HA   ASN  12           HA       ASN  12  -1.079  -4.423   0.875
   85   1HB   ASN  12          1HB       ASN  12  -0.447  -4.082  -1.543
   86   2HB   ASN  12          2HB       ASN  12   0.883  -3.055  -1.043
   87   1HD2  ASN  12          1HD2      ASN  12   2.708  -3.907  -0.141
   88   2HD2  ASN  12          2HD2      ASN  12   3.079  -5.598  -0.111
   89    H    VAL  13           H        VAL  13   0.691  -1.275   0.816
   90    HA   VAL  13           HA       VAL  13   2.907  -1.975   2.301
   91    HB   VAL  13           HB       VAL  13   3.188   0.348   2.665
   92   1HG1  VAL  13          1HG1      VAL  13   3.051  -0.650   0.231
   93   2HG1  VAL  13          2HG1      VAL  13   1.635   0.420   0.096
   94   3HG1  VAL  13          3HG1      VAL  13   3.233   1.103   0.483
   95   1HG2  VAL  13          1HG2      VAL  13   1.168   1.055   3.663
   96   2HG2  VAL  13          2HG2      VAL  13   1.271   1.959   2.133
   97   3HG2  VAL  13          3HG2      VAL  13   0.197   0.545   2.261
   98    HA   PRO  14           HA       PRO  14   1.514  -2.408   6.369
   99   1HB   PRO  14          1HB       PRO  14   3.471  -1.251   7.885
  100   2HB   PRO  14          2HB       PRO  14   3.626  -2.846   7.173
  101   1HG   PRO  14          1HG       PRO  14   4.886  -0.309   6.328
  102   2HG   PRO  14          2HG       PRO  14   5.340  -1.950   5.918
  103   1HD   PRO  14          1HD       PRO  14   3.944  -0.087   4.242
  104   2HD   PRO  14          2HD       PRO  14   4.298  -1.763   3.877
  105    H    THR  15           H        THR  15   2.835   0.874   6.230
  106    HA   THR  15           HA       THR  15   0.217   1.857   7.030
  107    HB   THR  15           HB       THR  15   2.775   2.405   8.624
  108    HG1  THR  15           HG1      THR  15   2.054   0.585   9.652
  109   1HG2  THR  15          1HG2      THR  15   1.222   3.451  10.242
  110   2HG2  THR  15          2HG2      THR  15   1.070   4.271   8.670
  111   3HG2  THR  15          3HG2      THR  15  -0.159   3.089   9.180
  112    H    ILE  16           H        ILE  16   0.218   2.582   4.811
  113    HA   ILE  16           HA       ILE  16   0.625   4.023   3.179
  114    HB   ILE  16           HB       ILE  16   1.369   6.033   5.285
  115   1HG1  ILE  16          1HG1      ILE  16  -0.539   4.599   6.086
  116   2HG1  ILE  16          2HG1      ILE  16  -0.891   6.310   5.939
  117   1HG2  ILE  16          1HG2      ILE  16  -0.126   7.455   3.782
  118   2HG2  ILE  16          2HG2      ILE  16   1.458   6.969   3.131
  119   3HG2  ILE  16          3HG2      ILE  16  -0.018   6.125   2.605
  120   1HD1  ILE  16          1HD1      ILE  16  -2.674   4.737   5.000
  121   2HD1  ILE  16          2HD1      ILE  16  -2.100   5.989   3.872
  122   3HD1  ILE  16          3HD1      ILE  16  -1.512   4.316   3.719
  123    H    ARG  17           H        ARG  17   2.927   2.383   4.399
  124    HA   ARG  17           HA       ARG  17   5.009   2.052   3.923
  125   1HB   ARG  17          1HB       ARG  17   4.196   3.187   1.637
  126   2HB   ARG  17          2HB       ARG  17   5.238   4.499   2.150
  127   1HG   ARG  17          1HG       ARG  17   6.900   2.355   2.599
  128   2HG   ARG  17          2HG       ARG  17   5.959   1.741   1.254
  129   1HD   ARG  17          1HD       ARG  17   7.780   2.864   0.208
  130   2HD   ARG  17          2HD       ARG  17   6.453   4.001   0.071
  131    HE   ARG  17           HE       ARG  17   7.786   4.540   2.530
  132   1HH1  ARG  17          1HH1      ARG  17   8.441   4.734  -0.947
  133   2HH1  ARG  17          2HH1      ARG  17   9.572   6.036  -0.787
  134   1HH2  ARG  17          1HH2      ARG  17  10.048   6.916   1.390
  135    H    THR  18           H        THR  18   4.212   3.768   6.156
  136    HA   THR  18           HA       THR  18   6.489   5.629   6.290
  137    HB   THR  18           HB       THR  18   3.889   6.265   6.570
  138    HG1  THR  18           HG1      THR  18   4.818   8.016   7.735
  139   1HG2  THR  18          1HG2      THR  18   4.777   5.518   9.406
  140   2HG2  THR  18          2HG2      THR  18   3.251   6.313   8.945
  141   3HG2  THR  18          3HG2      THR  18   3.548   4.620   8.483
  142    H    ALA  19           H        ALA  19   4.872   2.834   7.795
  143    HA   ALA  19           HA       ALA  19   6.455   2.858  10.134
  144   1HB   ALA  19          1HB       ALA  19   4.785   0.759   8.709
  145   2HB   ALA  19          2HB       ALA  19   5.617   0.446  10.251
  146   3HB   ALA  19          3HB       ALA  19   4.361   1.705  10.156
  147    H    LYS  20           H        LYS  20   6.602   0.915   7.064
  148    HA   LYS  20           HA       LYS  20   9.474   0.623   7.583
  149   1HB   LYS  20          1HB       LYS  20   8.188  -1.456   8.170
  150   2HB   LYS  20          2HB       LYS  20   7.680  -1.566   6.497
  151   1HG   LYS  20          1HG       LYS  20  10.593  -1.156   6.754
  152   2HG   LYS  20          2HG       LYS  20  10.054  -2.605   7.578
  153   1HD   LYS  20          1HD       LYS  20   8.904  -3.374   5.502
  154   2HD   LYS  20          2HD       LYS  20   9.398  -1.910   4.675
  155   1HE   LYS  20          1HE       LYS  20  11.803  -2.524   5.035
  156   2HE   LYS  20          2HE       LYS  20  11.303  -3.991   5.850
  157   1HZ   LYS  20          1HZ       LYS  20  10.863  -3.309   3.001
  158   2HZ   LYS  20          2HZ       LYS  20  11.696  -4.575   3.597
  159    H    VAL  21           H        VAL  21  10.359   1.987   6.103
  160    HA   VAL  21           HA       VAL  21   9.100   2.570   3.649
  161    HB   VAL  21           HB       VAL  21  11.854   3.042   4.781
  162   1HG1  VAL  21          1HG1      VAL  21  12.307   3.007   2.474
  163   2HG1  VAL  21          2HG1      VAL  21  10.751   3.767   2.062
  164   3HG1  VAL  21          3HG1      VAL  21  12.033   4.726   2.841
  165   1HG2  VAL  21          1HG2      VAL  21  11.114   5.328   5.036
  166   2HG2  VAL  21          2HG2      VAL  21   9.588   4.974   4.192
  167   3HG2  VAL  21          3HG2      VAL  21   9.911   4.249   5.784
  168    H    GLN  22           H        GLN  22   9.321   1.684   1.617
  169    HA   GLN  22           HA       GLN  22  11.302  -0.434   1.380
  170   1HB   GLN  22          1HB       GLN  22   8.990  -1.372   1.830
  171   2HB   GLN  22          2HB       GLN  22   8.444  -0.633   0.338
  172   1HG   GLN  22          1HG       GLN  22  10.230  -1.927  -0.906
  173   2HG   GLN  22          2HG       GLN  22  10.657  -2.724   0.594
  174   1HE2  GLN  22          1HE2      GLN  22   8.906  -3.845   1.760
  175   2HE2  GLN  22          2HE2      GLN  22   7.702  -4.699   0.853
  Start of MODEL   10
    1   1H    GLY   1          1H        GLY   1   8.923   8.202   5.310
    2   1HA   GLY   1          1HA       GLY   1   6.885   8.580   4.031
    3   2HA   GLY   1          2HA       GLY   1   8.069   9.833   3.715
    4    H    ALA   2           H        ALA   2   6.990   6.580   2.530
    5    HA   ALA   2           HA       ALA   2   7.928   7.360  -0.136
    6   1HB   ALA   2          1HB       ALA   2   8.899   5.294   0.602
    7   2HB   ALA   2          2HB       ALA   2   7.327   4.682   1.169
    8   3HB   ALA   2          3HB       ALA   2   7.632   4.870  -0.574
    9    H    TYR   3           H        TYR   3   5.118   6.195   1.786
   10    HA   TYR   3           HA       TYR   3   2.953   6.035   1.297
   11   1HB   TYR   3          1HB       TYR   3   3.965   8.533  -0.162
   12   2HB   TYR   3          2HB       TYR   3   2.262   8.130  -0.228
   13    HD1  TYR   3           HD1      TYR   3   0.850   9.059   1.367
   14    HD2  TYR   3           HD2      TYR   3   4.993   8.561   2.313
   15    HE1  TYR   3           HE1      TYR   3   0.493  10.239   3.590
   16    HE2  TYR   3           HE2      TYR   3   4.621   9.744   4.533
   17    HH   TYR   3           HH       TYR   3   2.491  11.651   5.221
   18    H    THR   4           H        THR   4   3.050   4.028   0.114
   19    HA   THR   4           HA       THR   4   3.723   3.493  -2.392
   20    HB   THR   4           HB       THR   4   1.021   2.465  -1.860
   21    HG1  THR   4           HG1      THR   4   1.255   2.550   0.338
   22   1HG2  THR   4          1HG2      THR   4   2.975   1.241  -3.002
   23   2HG2  THR   4          2HG2      THR   4   3.742   1.146  -1.399
   24   3HG2  THR   4          3HG2      THR   4   2.186   0.334  -1.691
   25    H    GLY   5           H        GLY   5   0.436   4.836  -1.625
   26   1HA   GLY   5          1HA       GLY   5   0.516   6.657  -3.795
   27   2HA   GLY   5          2HA       GLY   5  -0.360   5.211  -4.258
   28    H    LEU   6           H        LEU   6  -0.760   5.217  -0.982
   29    HA   LEU   6           HA       LEU   6  -2.694   5.444   0.144
   30   1HB   LEU   6          1HB       LEU   6  -1.106   7.542   0.359
   31   2HB   LEU   6          2HB       LEU   6  -2.458   8.374  -0.383
   32    HG   LEU   6           HG       LEU   6  -2.627   6.743   2.166
   33   1HD1  LEU   6          1HD1      LEU   6  -2.812   8.926   3.314
   34   2HD1  LEU   6          2HD1      LEU   6  -1.228   8.679   2.540
   35   3HD1  LEU   6          3HD1      LEU   6  -2.434   9.742   1.777
   36   1HD2  LEU   6          1HD2      LEU   6  -4.751   6.769   1.045
   37   2HD2  LEU   6          2HD2      LEU   6  -4.823   7.888   2.427
   38   3HD2  LEU   6          3HD2      LEU   6  -4.642   8.525   0.776
   39    HA   PRO   7           HA       PRO   7  -5.343   6.109  -3.530
   40   1HB   PRO   7          1HB       PRO   7  -6.023   3.519  -4.071
   41   2HB   PRO   7          2HB       PRO   7  -4.738   4.367  -4.908
   42   1HG   PRO   7          1HG       PRO   7  -4.533   2.287  -2.817
   43   2HG   PRO   7          2HG       PRO   7  -3.310   2.830  -3.947
   44   1HD   PRO   7          1HD       PRO   7  -3.494   3.501  -1.164
   45   2HD   PRO   7          2HD       PRO   7  -2.341   4.135  -2.321
   46    H    ASN   8           H        ASN   8  -5.531   4.590  -0.519
   47    HA   ASN   8           HA       ASN   8  -8.122   5.609  -0.171
   48   1HB   ASN   8          1HB       ASN   8  -8.745   3.542  -1.419
   49   2HB   ASN   8          2HB       ASN   8  -7.803   2.564  -0.311
   50   1HD2  ASN   8          1HD2      ASN   8 -10.476   4.885  -0.469
   51   2HD2  ASN   8          2HD2      ASN   8 -11.414   4.242   0.838
   52    H    LYS   9           H        LYS   9  -5.884   2.917   0.851
   53    HA   LYS   9           HA       LYS   9  -5.034   4.106   3.180
   54   1HB   LYS   9          1HB       LYS   9  -6.561   3.780   4.767
   55   2HB   LYS   9          2HB       LYS   9  -7.704   3.410   3.492
   56   1HG   LYS   9          1HG       LYS   9  -5.854   1.250   4.558
   57   2HG   LYS   9          2HG       LYS   9  -7.322   1.658   5.424
   58   1HD   LYS   9          1HD       LYS   9  -7.599   1.213   2.467
   59   2HD   LYS   9          2HD       LYS   9  -7.240  -0.202   3.436
   60   1HE   LYS   9          1HE       LYS   9  -9.208   0.211   4.863
   61   2HE   LYS   9          2HE       LYS   9  -9.526   1.729   4.049
   62   1HZ   LYS   9          1HZ       LYS   9 -10.873  -0.185   3.213
   63   2HZ   LYS   9          2HZ       LYS   9 -10.025   0.548   2.031
   64    H    LYS  10           H        LYS  10  -3.360   2.890   4.077
   65    HA   LYS  10           HA       LYS  10  -1.787   1.329   2.940
   66   1HB   LYS  10          1HB       LYS  10  -1.468  -0.100   4.948
   67   2HB   LYS  10          2HB       LYS  10  -1.598   1.609   5.312
   68   1HG   LYS  10          1HG       LYS  10  -4.244   0.344   5.313
   69   2HG   LYS  10          2HG       LYS  10  -3.158  -0.491   6.406
   70   1HD   LYS  10          1HD       LYS  10  -2.579   1.690   7.493
   71   2HD   LYS  10          2HD       LYS  10  -3.667   2.522   6.402
   72   1HE   LYS  10          1HE       LYS  10  -5.584   1.172   7.284
   73   2HE   LYS  10          2HE       LYS  10  -4.495   0.343   8.378
   74   1HZ   LYS  10          1HZ       LYS  10  -3.992   2.501   9.413
   75   2HZ   LYS  10          2HZ       LYS  10  -5.003   3.271   8.396
   76    HA   PRO  11           HA       PRO  11  -4.517  -1.624   1.028
   77   1HB   PRO  11          1HB       PRO  11  -3.202  -1.756  -1.365
   78   2HB   PRO  11          2HB       PRO  11  -4.516  -0.638  -1.053
   79   1HG   PRO  11          1HG       PRO  11  -1.615  -0.091  -1.209
   80   2HG   PRO  11          2HG       PRO  11  -2.952   1.036  -1.325
   81   1HD   PRO  11          1HD       PRO  11  -1.242   0.630   0.941
   82   2HD   PRO  11          2HD       PRO  11  -2.650   1.671   0.864
   83    H    ASN  12           H        ASN  12  -1.056  -1.785   0.301
   84    HA   ASN  12           HA       ASN  12  -1.146  -4.434   1.495
   85   1HB   ASN  12          1HB       ASN  12   0.316  -5.305  -0.311
   86   2HB   ASN  12          2HB       ASN  12  -1.172  -4.682  -0.997
   87   1HD2  ASN  12          1HD2      ASN  12  -1.188  -2.585  -1.952
   88   2HD2  ASN  12          2HD2      ASN  12   0.244  -1.906  -2.652
   89    H    VAL  13           H        VAL  13  -0.326  -2.024   2.779
   90    HA   VAL  13           HA       VAL  13   2.571  -2.452   2.920
   91    HB   VAL  13           HB       VAL  13   2.967  -0.107   3.078
   92   1HG1  VAL  13          1HG1      VAL  13   1.081  -0.411   0.730
   93   2HG1  VAL  13          2HG1      VAL  13   2.562   0.568   0.843
   94   3HG1  VAL  13          3HG1      VAL  13   2.671  -1.208   0.795
   95   1HG2  VAL  13          1HG2      VAL  13   1.111   1.554   2.749
   96   2HG2  VAL  13          2HG2      VAL  13  -0.047   0.214   2.937
   97   3HG2  VAL  13          3HG2      VAL  13   1.031   0.654   4.283
   98    HA   PRO  14           HA       PRO  14   1.923  -2.477   7.194
   99   1HB   PRO  14          1HB       PRO  14   4.103  -1.206   8.244
  100   2HB   PRO  14          2HB       PRO  14   4.146  -2.857   7.661
  101   1HG   PRO  14          1HG       PRO  14   5.221  -0.414   6.390
  102   2HG   PRO  14          2HG       PRO  14   5.612  -2.090   6.055
  103   1HD   PRO  14          1HD       PRO  14   3.935  -0.371   4.486
  104   2HD   PRO  14          2HD       PRO  14   4.234  -2.077   4.216
  105    H    THR  15           H        THR  15   3.168   0.770   6.531
  106    HA   THR  15           HA       THR  15   0.710   1.862   7.603
  107    HB   THR  15           HB       THR  15   3.446   2.316   8.908
  108    HG1  THR  15           HG1      THR  15   0.869   1.365   9.921
  109   1HG2  THR  15          1HG2      THR  15   1.941   3.544  10.615
  110   2HG2  THR  15          2HG2      THR  15   2.240   4.411   9.090
  111   3HG2  THR  15          3HG2      THR  15   0.693   3.569   9.347
  112    H    ILE  16           H        ILE  16   0.401   2.564   5.441
  113    HA   ILE  16           HA       ILE  16   0.703   3.860   3.661
  114    HB   ILE  16           HB       ILE  16   1.621   5.917   5.664
  115   1HG1  ILE  16          1HG1      ILE  16  -0.361   4.570   6.469
  116   2HG1  ILE  16          2HG1      ILE  16  -0.606   6.300   6.338
  117   1HG2  ILE  16          1HG2      ILE  16   0.194   7.385   4.141
  118   2HG2  ILE  16          2HG2      ILE  16   1.753   6.815   3.498
  119   3HG2  ILE  16          3HG2      ILE  16   0.238   6.032   2.984
  120   1HD1  ILE  16          1HD1      ILE  16  -2.474   4.802   5.387
  121   2HD1  ILE  16          2HD1      ILE  16  -1.873   6.085   4.311
  122   3HD1  ILE  16          3HD1      ILE  16  -1.342   4.404   4.073
  123    H    ARG  17           H        ARG  17   2.926   2.109   4.225
  124    HA   ARG  17           HA       ARG  17   5.045   1.810   3.833
  125   1HB   ARG  17          1HB       ARG  17   3.846   3.034   1.556
  126   2HB   ARG  17          2HB       ARG  17   5.423   3.786   1.701
  127   1HG   ARG  17          1HG       ARG  17   6.232   1.258   2.082
  128   2HG   ARG  17          2HG       ARG  17   4.741   0.878   1.245
  129   1HD   ARG  17          1HD       ARG  17   5.530   2.627  -0.544
  130   2HD   ARG  17          2HD       ARG  17   7.105   2.494   0.215
  131    HE   ARG  17           HE       ARG  17   6.165  -0.151  -0.264
  132   1HH1  ARG  17          1HH1      ARG  17   7.193   2.683  -2.125
  133   2HH1  ARG  17          2HH1      ARG  17   7.741   1.751  -3.477
  134   1HH2  ARG  17          1HH2      ARG  17   7.554  -0.638  -3.410
  135    H    THR  18           H        THR  18   5.413   3.039   5.995
  136    HA   THR  18           HA       THR  18   7.398   5.104   5.492
  137    HB   THR  18           HB       THR  18   5.012   6.124   5.862
  138    HG1  THR  18           HG1      THR  18   6.420   7.729   6.434
  139   1HG2  THR  18          1HG2      THR  18   4.504   4.600   7.875
  140   2HG2  THR  18          2HG2      THR  18   5.772   5.487   8.755
  141   3HG2  THR  18          3HG2      THR  18   4.320   6.344   8.185
  142    H    ALA  19           H        ALA  19   5.737   2.823   7.692
  143    HA   ALA  19           HA       ALA  19   7.722   3.043   9.714
  144   1HB   ALA  19          1HB       ALA  19   5.457   2.343  10.243
  145   2HB   ALA  19          2HB       ALA  19   5.572   0.973   9.112
  146   3HB   ALA  19          3HB       ALA  19   6.564   0.994  10.590
  147    H    LYS  20           H        LYS  20   6.932   0.476   7.258
  148    HA   LYS  20           HA       LYS  20   9.786  -0.196   7.286
  149   1HB   LYS  20          1HB       LYS  20   7.421  -2.009   7.671
  150   2HB   LYS  20          2HB       LYS  20   8.849  -2.618   6.858
  151   1HG   LYS  20          1HG       LYS  20  10.264  -2.118   8.769
  152   2HG   LYS  20          2HG       LYS  20   9.000  -1.185   9.545
  153   1HD   LYS  20          1HD       LYS  20   7.627  -3.200   9.867
  154   2HD   LYS  20          2HD       LYS  20   8.750  -4.166   8.931
  155   1HE   LYS  20          1HE       LYS  20  10.532  -3.786  10.617
  156   2HE   LYS  20          2HE       LYS  20   9.473  -2.731  11.532
  157   1HZ   LYS  20          1HZ       LYS  20   9.092  -5.639  11.081
  158   2HZ   LYS  20          2HZ       LYS  20   9.359  -4.897  12.506
  159    H    VAL  21           H        VAL  21   9.992   1.185   5.417
  160    HA   VAL  21           HA       VAL  21   8.360   0.813   3.146
  161    HB   VAL  21           HB       VAL  21  11.044   2.099   3.633
  162   1HG1  VAL  21          1HG1      VAL  21  10.647   3.179   1.354
  163   2HG1  VAL  21          2HG1      VAL  21  11.177   1.480   1.352
  164   3HG1  VAL  21          3HG1      VAL  21   9.467   1.879   1.059
  165   1HG2  VAL  21          1HG2      VAL  21   8.333   3.316   3.014
  166   2HG2  VAL  21          2HG2      VAL  21   9.020   3.144   4.647
  167   3HG2  VAL  21          3HG2      VAL  21   9.827   4.182   3.446
  168    H    GLN  22           H        GLN  22  11.400  -0.650   4.339
  169    HA   GLN  22           HA       GLN  22  11.964  -1.926   1.892
  170   1HB   GLN  22          1HB       GLN  22  13.665  -1.397   3.664
  171   2HB   GLN  22          2HB       GLN  22  12.937  -2.605   4.703
  172   1HG   GLN  22          1HG       GLN  22  13.435  -4.381   3.051
  173   2HG   GLN  22          2HG       GLN  22  14.064  -3.194   1.925
  174   1HE2  GLN  22          1HE2      GLN  22  14.465  -4.497   5.195
  175   2HE2  GLN  22          2HE2      GLN  22  16.179  -4.279   5.319