*HEADER    PEPTIDE BINDING PROTEIN                 25-JUL-19   6SCW              
*TITLE     SH3-SUBUNIT OF CHICKEN ALPHA SPECTRIN SOLVED BY NMR                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SPECTRIN ALPHA CHAIN, NON-ERYTHROCYTIC 1 ISOFORM X11;      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SUS SCROFA;                                     
*SOURCE   3 ORGANISM_COMMON: PIG;                                                
*SOURCE   4 ORGANISM_TAXID: 9823;                                                
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21;                            
*SOURCE   6 EXPRESSION_SYSTEM_TAXID: 511693                                      
*KEYWDS    BETA-BARREL, BINDING-DOMAIN, MEMBRANE-ANCOR, SPECTRIN, PEPTIDE        
*KEYWDS   2 BINDING PROTEIN                                                      
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    K.GROHE,C.HEBRANK,R.LINSER                                            
*REVDAT   1   12-AUG-20 6SCW    0                                                
# Restraints file 1: upper_distance_restraints_NOE_SH3.upl
   2  ASP    H       1  MET   HA            3.54      # rEff=   2.95       uni-biDir =    1        Ass-Norm =    2      H

   2  ASP    H       2  ASP  HB2            4.43      # rEff=   3.69       uni-biDir =    1        Ass-Norm =    2      H

   2  ASP    H       3  GLU  HB3            5.46      # rEff=   4.55       uni-biDir =    1        Ass-Norm =    2      H

   3  GLU    H       2  ASP  HB3            5.13      # rEff=   4.28       uni-biDir =    1        Ass-Norm =    3      H

   3  GLU    H       3  GLU   HA            4.26      # rEff=   3.55       uni-biDir =    1        Ass-Norm =    3      H

   3  GLU    H       3  GLU  HB2            4.20      # rEff=   3.50       uni-biDir =    1        Ass-Norm =    3      H

   3  GLU    H       3  GLU  HB3            4.86      # rEff=   4.05       uni-biDir =    1        Ass-Norm =    3      H

   3  GLU    H       3  GLU  HG2            4.68      # rEff=   3.90       uni-biDir =    1        Ass-Norm =    3      H

   5  GLY    H       4  THR   HA            3.45      # rEff=   2.87       uni-biDir =    1        Ass-Norm =    5      H

   5  GLY    H       5  GLY  HA2            3.38      # rEff=   2.81       uni-biDir =    1        Ass-Norm =    5      H

   5  GLY    H       6  LYS    H            3.24      # rEff=   3.24       uni-biDir =    2        Ass-Norm =    5      H

   6  LYS    H       5  GLY  HA2            3.60      # rEff=   3.00       uni-biDir =    1        Ass-Norm =    6      H

   6  LYS    H       6  LYS   HA            3.78      # rEff=   3.15       uni-biDir =    1        Ass-Norm =    6      H

   6  LYS    H       6  LYS  HG3            4.30      # rEff=   3.58       uni-biDir =    1        Ass-Norm =    6      H

   6  LYS    H       6  LYS  HD3            4.05      # rEff=   3.37       uni-biDir =    1        Ass-Norm =    6      H

   6  LYS    H       7  GLU    H            4.43      # rEff=   3.69       uni-biDir =    1        Ass-Norm =    6      H

   8  LEU    H       7  GLU   HA            2.63      # rEff=   2.19       uni-biDir =    1        Ass-Norm =    8      H

   8  LEU    H       7  GLU  HB3            4.12      # rEff=   3.43       uni-biDir =    1        Ass-Norm =    8      H

   8  LEU    H       7  GLU  HG2            4.53      # rEff=   3.78       uni-biDir =    1        Ass-Norm =    8      H

   8  LEU    H       7  GLU  HG3            4.76      # rEff=   3.97       uni-biDir =    1        Ass-Norm =    8      H

   8  LEU    H       8  LEU   HA            3.60      # rEff=   3.00       uni-biDir =    1        Ass-Norm =    8      H

   8  LEU    H       8  LEU  HB2            3.90      # rEff=   3.25       uni-biDir =    1        Ass-Norm =    8      H

   8  LEU    H       8  LEU  HB3            3.38      # rEff=   2.57       uni-biDir =    1        Ass-Norm =    8      H

   8  LEU    H       8  LEU  QD1            4.58      # rEff=   4.23       uni-biDir =    1        Ass-Norm =    8      H

   9  VAL    H       8  LEU    H            5.37      # rEff=   4.48       uni-biDir =    1        Ass-Norm =    9      H

   9  VAL    H       8  LEU   HA            2.60      # rEff=   2.17       uni-biDir =    1        Ass-Norm =    9      H

   9  VAL    H       8  LEU  QD1            3.37      # rEff=   3.11       uni-biDir =    1        Ass-Norm =    9      H

   9  VAL    H       9  VAL   HA            3.49      # rEff=   2.91       uni-biDir =    1        Ass-Norm =    9      H

   9  VAL    H       9  VAL   HB            4.57      # rEff=   3.81       uni-biDir =    1        Ass-Norm =    9      H

   9  VAL    H       9  VAL  QG1            3.99      # rEff=   3.68       uni-biDir =    1        Ass-Norm =    9      H

   9  VAL    H      30  ILE   HA            4.64      # rEff=   3.87       uni-biDir =    1        Ass-Norm =    9      H

   9  VAL    H      32  THR   HA            4.54      # rEff=   3.66       uni-biDir =    1        Ass-Norm =    9      H

  10  LEU    H       9  VAL   HA            2.66      # rEff=   2.22       uni-biDir =    1        Ass-Norm =   10      H

  10  LEU    H       9  VAL   HB            3.01      # rEff=   2.51       uni-biDir =    1        Ass-Norm =   10      H

  10  LEU    H       9  VAL  QG1            4.78      # rEff=   4.41       uni-biDir =    1        Ass-Norm =   10      H

  10  LEU    H      10  LEU   HA            3.48      # rEff=   2.90       uni-biDir =    1        Ass-Norm =   10      H

  10  LEU    H      10  LEU  HB2            3.18      # rEff=   2.65       uni-biDir =    1        Ass-Norm =   10      H

  10  LEU    H      10  LEU  HB3            3.90      # rEff=   2.42       uni-biDir =    1        Ass-Norm =   10      H

  10  LEU    H      60  LYS   HA            4.48      # rEff=   3.73       uni-biDir =    1        Ass-Norm =   10      H

  10  LEU    H      60  LYS  HB2            5.32      # rEff=   3.68       uni-biDir =    1        Ass-Norm =   10      H

  11  ALA    H      10  LEU   HA            2.60      # rEff=   2.17       uni-biDir =    1        Ass-Norm =   11      H

  11  ALA    H      10  LEU  HB2            4.79      # rEff=   3.99       uni-biDir =    1        Ass-Norm =   11      H

  11  ALA    H      10  LEU  QD1            3.30      # rEff=   3.04       uni-biDir =    1        Ass-Norm =   11      H

  11  ALA    H      11  ALA   HA            3.46      # rEff=   2.88       uni-biDir =    1        Ass-Norm =   11      H

  11  ALA    H      11  ALA   QB            2.93      # rEff=   2.70       uni-biDir =    1        Ass-Norm =   11      H

  11  ALA    H      29  ASP  HB3            4.97      # rEff=   4.14       uni-biDir =    1        Ass-Norm =   11      H

  11  ALA    H      30  ILE   HA            4.01      # rEff=   3.34       uni-biDir =    1        Ass-Norm =   11      H

  11  ALA    H      31  LEU   HG            5.00      # rEff=   3.44       uni-biDir =    1        Ass-Norm =   11      H

  12  LEU    H      11  ALA   HA            2.46      # rEff=   2.05       uni-biDir =    1        Ass-Norm =   12      H

  12  LEU    H      11  ALA   QB            4.07      # rEff=   3.75       uni-biDir =    1        Ass-Norm =   12      H

  12  LEU    H      12  LEU   HA            3.34      # rEff=   2.78       uni-biDir =    1        Ass-Norm =   12      H

  12  LEU    H      12  LEU  HB2            3.27      # rEff=   2.72       uni-biDir =    1        Ass-Norm =   12      H

  12  LEU    H      12  LEU  HB3            3.17      # rEff=   2.65       uni-biDir =    1        Ass-Norm =   12      H

  12  LEU    H      13  TYR    H            2.42      # rEff=   2.42       uni-biDir =    2        Ass-Norm =   12      H

  12  LEU    H      58  VAL   HA            2.99      # rEff=   2.49       uni-biDir =    1        Ass-Norm =   12      H

  13  TYR    H      11  ALA   QB            3.79      # rEff=   3.49       uni-biDir =    1        Ass-Norm =   13      H

  13  TYR    H      12  LEU   HA            3.88      # rEff=   3.24       uni-biDir =    1        Ass-Norm =   13      H

  13  TYR    H      12  LEU  HB3            3.86      # rEff=   3.21       uni-biDir =    1        Ass-Norm =   13      H

  13  TYR    H      13  TYR   HA            3.19      # rEff=   2.66       uni-biDir =    1        Ass-Norm =   13      H

  13  TYR    H      13  TYR  HB2            3.61      # rEff=   3.01       uni-biDir =    1        Ass-Norm =   13      H

  13  TYR    H      13  TYR  HB3            4.18      # rEff=   3.48       uni-biDir =    1        Ass-Norm =   13      H

  13  TYR    H      13  TYR   QE            8.00      # rEff=   3.67       uni-biDir =    1        Ass-Norm =   13      H

  13  TYR    H      25  MET   QE            4.41      # rEff=   4.06       uni-biDir =    1        Ass-Norm =   13      H

  13  TYR    H      27  LYS   HA            3.99      # rEff=   3.33       uni-biDir =    1        Ass-Norm =   13      H

  13  TYR    H      57  TYR  HB3            4.47      # rEff=   3.73       uni-biDir =    1        Ass-Norm =   13      H

  14  ASP    H      13  TYR  HB2            3.96      # rEff=   3.30       uni-biDir =    1        Ass-Norm =   14      H

  14  ASP    H      13  TYR  HB3            4.40      # rEff=   2.83       uni-biDir =    1        Ass-Norm =   14      H

  14  ASP    H      14  ASP   HA            2.70      # rEff=   2.25       uni-biDir =    1        Ass-Norm =   14      H

  14  ASP    H      14  ASP  HB2            3.20      # rEff=   2.67       uni-biDir =    1        Ass-Norm =   14      H

  14  ASP    H      14  ASP  HB3            3.83      # rEff=   3.19       uni-biDir =    1        Ass-Norm =   14      H

  14  ASP    H      27  LYS    H            3.52      # rEff=   3.52       uni-biDir =    2        Ass-Norm =   14      H

  14  ASP    H      27  LYS   HA            5.27      # rEff=   4.40       uni-biDir =    1        Ass-Norm =   14      H

  14  ASP    H      27  LYS  HB2            3.71      # rEff=   3.09       uni-biDir =    1        Ass-Norm =   14      H

  14  ASP    H      27  LYS  HB3            4.06      # rEff=   3.39       uni-biDir =    1        Ass-Norm =   14      H

  14  ASP    H      27  LYS  HG2            5.05      # rEff=   4.21       uni-biDir =    1        Ass-Norm =   14      H

  15  TYR    H      11  ALA   QB            5.04      # rEff=   4.65       uni-biDir =    1        Ass-Norm =   15      H

  15  TYR    H      15  TYR  HB2            3.20      # rEff=   2.67       uni-biDir =    1        Ass-Norm =   15      H

  15  TYR    H      15  TYR  HB3            3.91      # rEff=   3.26       uni-biDir =    1        Ass-Norm =   15      H

  15  TYR    H      24  THR  QG2            4.77      # rEff=   4.40       uni-biDir =    1        Ass-Norm =   15      H

  15  TYR    H      25  MET    H            3.28      # rEff=   2.88       uni-biDir =    2        Ass-Norm =   15      H

  15  TYR    H      25  MET  HB2            5.36      # rEff=   3.63       uni-biDir =    1        Ass-Norm =   15      H

  15  TYR    H      25  MET  HG3            4.15      # rEff=   3.46       uni-biDir =    1        Ass-Norm =   15      H

  15  TYR    H      26  LYS   HA            4.18      # rEff=   3.49       uni-biDir =    1        Ass-Norm =   15      H

  16  GLN    H      15  TYR   HA            2.68      # rEff=   2.24       uni-biDir =    1        Ass-Norm =   16      H

  16  GLN    H      15  TYR  HB2            4.97      # rEff=   4.14       uni-biDir =    1        Ass-Norm =   16      H

  16  GLN    H      15  TYR  HB3            4.74      # rEff=   3.95       uni-biDir =    1        Ass-Norm =   16      H

  16  GLN    H      16  GLN   HA            3.41      # rEff=   2.84       uni-biDir =    1        Ass-Norm =   16      H

  16  GLN    H      16  GLN  HB2            2.95      # rEff=   2.46       uni-biDir =    1        Ass-Norm =   16      H

  16  GLN    H      16  GLN  HG2            4.79      # rEff=   3.99       uni-biDir =    1        Ass-Norm =   16      H

  16  GLN HE21      16  GLN HE22            2.20      # rEff=   1.95       uni-biDir =    2        Ass-Norm =   16   HE21

  16  GLN HE22      16  GLN  HG2            5.03      # rEff=   4.19       uni-biDir =    1        Ass-Norm =   16   HE22

  19  SER    H      18  LYS    H            3.09      # rEff=   2.58       uni-biDir =    1        Ass-Norm =   19      H

  19  SER    H      18  LYS   HA            3.79      # rEff=   3.16       uni-biDir =    1        Ass-Norm =   19      H

  19  SER    H      18  LYS  HD3            5.53      # rEff=   4.60       uni-biDir =    1        Ass-Norm =   19      H

  19  SER    H      19  SER   HA            3.52      # rEff=   2.93       uni-biDir =    1        Ass-Norm =   19      H

  19  SER    H      19  SER  HB2            4.02      # rEff=   3.35       uni-biDir =    1        Ass-Norm =   19      H

  19  SER    H      19  SER  HB3            3.98      # rEff=   3.32       uni-biDir =    1        Ass-Norm =   19      H

  19  SER    H      22  GLU  HB3            3.94      # rEff=   2.87       uni-biDir =    1        Ass-Norm =   19      H

  19  SER    H      22  GLU  HG2            4.79      # rEff=   3.82       uni-biDir =    1        Ass-Norm =   19      H

  21  ARG    H      19  SER  HB2            4.52      # rEff=   3.77       uni-biDir =    1        Ass-Norm =   21      H

  21  ARG    H      20  PRO  HB3            4.90      # rEff=   4.08       uni-biDir =    1        Ass-Norm =   21      H

  21  ARG    H      20  PRO  HD2            4.14      # rEff=   3.45       uni-biDir =    1        Ass-Norm =   21      H

  21  ARG    H      21  ARG   HA            3.41      # rEff=   2.84       uni-biDir =    1        Ass-Norm =   21      H

  21  ARG    H      21  ARG  HB2            3.73      # rEff=   3.11       uni-biDir =    1        Ass-Norm =   21      H

  21  ARG    H      21  ARG  HG2            4.04      # rEff=   3.37       uni-biDir =    1        Ass-Norm =   21      H

  21  ARG    H      22  GLU  HB3            5.94      # rEff=   4.95       uni-biDir =    1        Ass-Norm =   21      H

  22  GLU    H      15  TYR   QE            8.00      # rEff=   4.87       uni-biDir =    1        Ass-Norm =   22      H

  22  GLU    H      19  SER  HB3            5.15      # rEff=   4.29       uni-biDir =    1        Ass-Norm =   22      H

  22  GLU    H      20  PRO   HA            3.70      # rEff=   3.08       uni-biDir =    1        Ass-Norm =   22      H

  22  GLU    H      20  PRO  HB2            4.88      # rEff=   3.65       uni-biDir =    1        Ass-Norm =   22      H

  22  GLU    H      20  PRO  HB3            5.30      # rEff=   3.58       uni-biDir =    1        Ass-Norm =   22      H

  22  GLU    H      22  GLU   HA            3.49      # rEff=   2.91       uni-biDir =    1        Ass-Norm =   22      H

  22  GLU    H      22  GLU  HB2            3.50      # rEff=   2.92       uni-biDir =    1        Ass-Norm =   22      H

  22  GLU    H      22  GLU  HB3            3.75      # rEff=   2.71       uni-biDir =    1        Ass-Norm =   22      H

  22  GLU    H      22  GLU  HG2            4.12      # rEff=   3.43       uni-biDir =    1        Ass-Norm =   22      H

  23  VAL    H      17  GLU   HA            5.42      # rEff=   4.31       uni-biDir =    1        Ass-Norm =   23      H

  23  VAL    H      22  GLU   HA            2.90      # rEff=   2.42       uni-biDir =    1        Ass-Norm =   23      H

  23  VAL    H      22  GLU  HB3            3.84      # rEff=   3.20       uni-biDir =    1        Ass-Norm =   23      H

  23  VAL    H      22  GLU  HG2            3.59      # rEff=   2.99       uni-biDir =    1        Ass-Norm =   23      H

  23  VAL    H      23  VAL   HA            3.48      # rEff=   2.90       uni-biDir =    1        Ass-Norm =   23      H

  23  VAL    H      23  VAL   HB            3.89      # rEff=   3.24       uni-biDir =    1        Ass-Norm =   23      H

  23  VAL    H      23  VAL  QG1            3.97      # rEff=   3.20       uni-biDir =    1        Ass-Norm =   23      H

  23  VAL    H      46  VAL  QG2            4.97      # rEff=   4.13       uni-biDir =    1        Ass-Norm =   23      H

  23  VAL    H      51  GLY  HA3            5.03      # rEff=   4.19       uni-biDir =    1        Ass-Norm =   23      H

  23  VAL    H      52  PHE    H            4.74      # rEff=   3.74       uni-biDir =    2        Ass-Norm =   23      H

  24  THR    H      24  THR   HA            3.46      # rEff=   2.88       uni-biDir =    1        Ass-Norm =   24      H

  24  THR    H      24  THR   HB            2.67      # rEff=   2.22       uni-biDir =    1        Ass-Norm =   24      H

  25  MET    H      15  TYR  HB2            3.99      # rEff=   3.33       uni-biDir =    1        Ass-Norm =   25      H

  25  MET    H      16  GLN   HA            4.41      # rEff=   3.67       uni-biDir =    1        Ass-Norm =   25      H

  25  MET    H      17  GLU    H            5.21      # rEff=   4.34       uni-biDir =    1        Ass-Norm =   25      H

  25  MET    H      24  THR   HA            2.52      # rEff=   2.10       uni-biDir =    1        Ass-Norm =   25      H

  25  MET    H      24  THR  QG2            3.22      # rEff=   2.97       uni-biDir =    1        Ass-Norm =   25      H

  25  MET    H      25  MET   HA            3.29      # rEff=   2.74       uni-biDir =    1        Ass-Norm =   25      H

  25  MET    H      25  MET  HB2            4.23      # rEff=   3.52       uni-biDir =    1        Ass-Norm =   25      H

  25  MET    H      25  MET  HB3            3.59      # rEff=   2.99       uni-biDir =    1        Ass-Norm =   25      H

  25  MET    H      25  MET  HG3            4.03      # rEff=   3.35       uni-biDir =    1        Ass-Norm =   25      H

  26  LYS    H      26  LYS   HA            2.96      # rEff=   2.21       uni-biDir =    1        Ass-Norm =   26      H

  26  LYS    H      26  LYS  HB2            3.17      # rEff=   2.64       uni-biDir =    1        Ass-Norm =   26      H

  26  LYS    H      26  LYS  HG2            4.15      # rEff=   3.46       uni-biDir =    1        Ass-Norm =   26      H

  27  LYS    H      27  LYS   HA            3.29      # rEff=   2.74       uni-biDir =    1        Ass-Norm =   27      H

  28  GLY    H      11  ALA   QB            3.33      # rEff=   3.07       uni-biDir =    1        Ass-Norm =   28      H

  28  GLY    H      27  LYS   HA            2.53      # rEff=   2.10       uni-biDir =    1        Ass-Norm =   28      H

  28  GLY    H      27  LYS  HB2            4.92      # rEff=   4.10       uni-biDir =    1        Ass-Norm =   28      H

  28  GLY    H      27  LYS  HG2            3.71      # rEff=   3.09       uni-biDir =    1        Ass-Norm =   28      H

  28  GLY    H      28  GLY  HA2            3.00      # rEff=   2.50       uni-biDir =    1        Ass-Norm =   28      H

  28  GLY    H      28  GLY  HA3            3.47      # rEff=   2.89       uni-biDir =    1        Ass-Norm =   28      H

  28  GLY    H      29  ASP    H            3.13      # rEff=   2.61       uni-biDir =    1        Ass-Norm =   28      H

  28  GLY    H      61  LEU  QD1            5.57      # rEff=   4.22       uni-biDir =    1        Ass-Norm =   28      H

  29  ASP    H      29  ASP  HB2            3.75      # rEff=   3.12       uni-biDir =    1        Ass-Norm =   29      H

  31  LEU    H      31  LEU   HA            2.98      # rEff=   2.07       uni-biDir =    1        Ass-Norm =   31      H

  31  LEU    H      31  LEU  HB2            3.45      # rEff=   2.88       uni-biDir =    1        Ass-Norm =   31      H

  31  LEU    H      31  LEU  HB3            3.62      # rEff=   3.02       uni-biDir =    1        Ass-Norm =   31      H

  32  THR    H      31  LEU   HA            2.74      # rEff=   2.28       uni-biDir =    1        Ass-Norm =   32      H

  32  THR    H      31  LEU  HB2            4.06      # rEff=   3.38       uni-biDir =    1        Ass-Norm =   32      H

  32  THR    H      31  LEU  HB3            3.46      # rEff=   2.88       uni-biDir =    1        Ass-Norm =   32      H

  32  THR    H      32  THR   HA            3.48      # rEff=   2.90       uni-biDir =    1        Ass-Norm =   32      H

  32  THR    H      32  THR   HB            2.89      # rEff=   2.41       uni-biDir =    1        Ass-Norm =   32      H

  32  THR    H      44  VAL   HB            4.02      # rEff=   3.35       uni-biDir =    1        Ass-Norm =   32      H

  32  THR    H      44  VAL  QG1            4.82      # rEff=   4.44       uni-biDir =    1        Ass-Norm =   32      H

  32  THR    H      44  VAL  QG2            4.79      # rEff=   4.42       uni-biDir =    1        Ass-Norm =   32      H

  32  THR    H      45  GLU    H            3.49      # rEff=   2.91       uni-biDir =    1        Ass-Norm =   32      H

  32  THR    H      45  GLU  HB3            4.67      # rEff=   3.89       uni-biDir =    1        Ass-Norm =   32      H

  33  LEU    H       8  LEU   HA            3.44      # rEff=   2.86       uni-biDir =    1        Ass-Norm =   33      H

  33  LEU    H      32  THR   HA            2.55      # rEff=   2.12       uni-biDir =    1        Ass-Norm =   33      H

  33  LEU    H      32  THR   HB            4.68      # rEff=   3.90       uni-biDir =    1        Ass-Norm =   33      H

  33  LEU    H      33  LEU   HA            3.43      # rEff=   2.86       uni-biDir =    1        Ass-Norm =   33      H

  33  LEU    H      33  LEU  HB2            4.26      # rEff=   3.55       uni-biDir =    1        Ass-Norm =   33      H

  33  LEU    H      33  LEU  HB3            3.64      # rEff=   2.53       uni-biDir =    1        Ass-Norm =   33      H

  33  LEU    H      33  LEU   HG            3.82      # rEff=   2.35       uni-biDir =    1        Ass-Norm =   33      H

  33  LEU    H      44  VAL  QG1            4.26      # rEff=   3.92       uni-biDir =    1        Ass-Norm =   33      H

  34  LEU    H      33  LEU   HA            2.59      # rEff=   2.15       uni-biDir =    1        Ass-Norm =   34      H

  34  LEU    H      33  LEU  QD1            3.75      # rEff=   3.27       uni-biDir =    1        Ass-Norm =   34      H

  34  LEU    H      34  LEU   HA            3.34      # rEff=   2.79       uni-biDir =    1        Ass-Norm =   34      H

  34  LEU    H      34  LEU  HB2            3.15      # rEff=   2.62       uni-biDir =    1        Ass-Norm =   34      H

  34  LEU    H      34  LEU  HB3            3.68      # rEff=   2.65       uni-biDir =    1        Ass-Norm =   34      H

  34  LEU    H      35  ASN    H            2.35      # rEff=   2.35       uni-biDir =    2        Ass-Norm =   34      H

  34  LEU    H      44  VAL   HA            2.93      # rEff=   2.44       uni-biDir =    1        Ass-Norm =   34      H

  34  LEU    H      44  VAL  QG2            4.84      # rEff=   4.00       uni-biDir =    1        Ass-Norm =   34      H

  35  ASN    H      33  LEU  QD1            3.73      # rEff=   3.44       uni-biDir =    1        Ass-Norm =   35      H

  35  ASN    H      34  LEU  HB2            3.40      # rEff=   2.83       uni-biDir =    1        Ass-Norm =   35      H

  35  ASN    H      35  ASN   HA            3.53      # rEff=   2.94       uni-biDir =    1        Ass-Norm =   35      H

  35  ASN    H      35  ASN  HB2            4.01      # rEff=   3.34       uni-biDir =    1        Ass-Norm =   35      H

  35  ASN    H      35  ASN  HB3            3.83      # rEff=   3.19       uni-biDir =    1        Ass-Norm =   35      H

  35  ASN HD21      35  ASN  HB2            4.44      # rEff=   3.70       uni-biDir =    1        Ass-Norm =   35   HD21

  35  ASN HD21      35  ASN HD22            1.81      # rEff=   1.81       uni-biDir =    2        Ass-Norm =   35   HD21

  35  ASN HD22      35  ASN  HB2            3.81      # rEff=   3.18       uni-biDir =    1        Ass-Norm =   35   HD22

  35  ASN HD22      35  ASN  HB3            4.52      # rEff=   3.77       uni-biDir =    1        Ass-Norm =   35   HD22

  35  ASN    H      43  LYS  HB3            3.52      # rEff=   2.93       uni-biDir =    1        Ass-Norm =   35      H

  35  ASN    H      43  LYS  HG2            5.24      # rEff=   4.37       uni-biDir =    1        Ass-Norm =   35      H

  35  ASN    H      44  VAL   HA            5.24      # rEff=   4.36       uni-biDir =    1        Ass-Norm =   35      H

  35  ASN    H      44  VAL  QG2            5.96      # rEff=   5.12       uni-biDir =    1        Ass-Norm =   35      H

  36  SER    H      33  LEU  QD1            4.92      # rEff=   4.54       uni-biDir =    1        Ass-Norm =   36      H

  36  SER    H      35  ASN   HA            3.57      # rEff=   2.14       uni-biDir =    1        Ass-Norm =   36      H

  36  SER    H      36  SER   HA            3.39      # rEff=   2.82       uni-biDir =    1        Ass-Norm =   36      H

  36  SER    H      36  SER  HB2            3.77      # rEff=   3.14       uni-biDir =    1        Ass-Norm =   36      H

  36  SER    H      36  SER  HB3            4.09      # rEff=   3.20       uni-biDir =    1        Ass-Norm =   36      H

  36  SER    H      37  THR    H            2.53      # rEff=   2.53       uni-biDir =    2        Ass-Norm =   36      H

  37  THR    H      35  ASN HD21            4.83      # rEff=   4.03       uni-biDir =    1        Ass-Norm =   37      H

  37  THR    H      37  THR   HA            3.14      # rEff=   2.62       uni-biDir =    1        Ass-Norm =   37      H

  37  THR    H      37  THR   HB            3.37      # rEff=   2.81       uni-biDir =    1        Ass-Norm =   37      H

  37  THR    H      38  ASN    H            3.24      # rEff=   2.70       uni-biDir =    1        Ass-Norm =   37      H

  38  ASN    H      36  SER   HA            4.10      # rEff=   2.99       uni-biDir =    1        Ass-Norm =   38      H

  38  ASN    H      37  THR   HB            4.06      # rEff=   3.38       uni-biDir =    1        Ass-Norm =   38      H

  38  ASN    H      38  ASN   HA            3.46      # rEff=   2.88       uni-biDir =    1        Ass-Norm =   38      H

  38  ASN    H      38  ASN  HB2            3.20      # rEff=   2.67       uni-biDir =    1        Ass-Norm =   38      H

  38  ASN    H      38  ASN  HB3            3.11      # rEff=   2.59       uni-biDir =    1        Ass-Norm =   38      H

  38  ASN HD22      38  ASN  HB2            3.66      # rEff=   3.05       uni-biDir =    1        Ass-Norm =   38   HD22

  38  ASN HD22      38  ASN  HB3            4.36      # rEff=   3.63       uni-biDir =    1        Ass-Norm =   38   HD22

  38  ASN    H      52  PHE   QE            8.00      # rEff=   5.40       uni-biDir =    1        Ass-Norm =   38      H

  39  LYS    H      38  ASN   HA            2.97      # rEff=   2.48       uni-biDir =    1        Ass-Norm =   39      H

  39  LYS    H      38  ASN  HB3            5.13      # rEff=   4.27       uni-biDir =    1        Ass-Norm =   39      H

  39  LYS    H      39  LYS   HA            3.62      # rEff=   3.02       uni-biDir =    1        Ass-Norm =   39      H

  39  LYS    H      39  LYS  HB2            3.89      # rEff=   3.24       uni-biDir =    1        Ass-Norm =   39      H

  39  LYS    H      39  LYS  HG2            4.64      # rEff=   3.87       uni-biDir =    1        Ass-Norm =   39      H

  39  LYS    H      40  ASP    H            2.94      # rEff=   2.94       uni-biDir =    2        Ass-Norm =   39      H

  40  ASP    H      38  ASN   HA            5.21      # rEff=   4.34       uni-biDir =    1        Ass-Norm =   40      H

  40  ASP    H      38  ASN  HB3            4.99      # rEff=   4.16       uni-biDir =    1        Ass-Norm =   40      H

  40  ASP    H      39  LYS  HB2            4.49      # rEff=   3.74       uni-biDir =    1        Ass-Norm =   40      H

  40  ASP    H      39  LYS  HG2            4.36      # rEff=   3.64       uni-biDir =    1        Ass-Norm =   40      H

  40  ASP    H      40  ASP   HA            3.68      # rEff=   3.07       uni-biDir =    1        Ass-Norm =   40      H

  40  ASP    H      40  ASP  HB2            4.18      # rEff=   3.48       uni-biDir =    1        Ass-Norm =   40      H

  40  ASP    H      40  ASP  HB3            3.43      # rEff=   2.86       uni-biDir =    1        Ass-Norm =   40      H

  40  ASP    H      55  ALA   QB            5.27      # rEff=   4.86       uni-biDir =    1        Ass-Norm =   40      H

  41  TRP    H      40  ASP   HA            4.21      # rEff=   3.50       uni-biDir =    1        Ass-Norm =   41      H

  41  TRP    H      40  ASP  HB2            4.31      # rEff=   3.59       uni-biDir =    1        Ass-Norm =   41      H

  41  TRP    H      40  ASP  HB3            3.75      # rEff=   3.12       uni-biDir =    1        Ass-Norm =   41      H

  41  TRP    H      41  TRP   HA            3.58      # rEff=   2.98       uni-biDir =    1        Ass-Norm =   41      H

  41  TRP    H      41  TRP  HB2            3.64      # rEff=   2.79       uni-biDir =    1        Ass-Norm =   41      H

  41  TRP    H      41  TRP  HD1            3.58      # rEff=   3.12       uni-biDir =    1        Ass-Norm =   41      H

  41  TRP  HE1      41  TRP  HZ2            3.38      # rEff=   2.81       uni-biDir =    1        Ass-Norm =   41    HE1

  41  TRP  HE1      41  TRP  HD1            2.97      # rEff=   2.47       uni-biDir =    1        Ass-Norm =   41    HE1

  41  TRP    H      55  ALA    H            4.89      # rEff=   3.49       uni-biDir =    1        Ass-Norm =   41      H

  41  TRP    H      55  ALA   QB            4.50      # rEff=   4.15       uni-biDir =    1        Ass-Norm =   41      H

  42  TRP    H      33  LEU  QD1            4.77      # rEff=   3.94       uni-biDir =    1        Ass-Norm =   42      H

  42  TRP  HE1      36  SER   HA            4.45      # rEff=   3.29       uni-biDir =    1        Ass-Norm =   42    HE1

  42  TRP  HE1      36  SER  HB3            4.90      # rEff=   3.17       uni-biDir =    1        Ass-Norm =   42    HE1

  42  TRP  HE1      39  LYS   HA            3.88      # rEff=   2.81       uni-biDir =    1        Ass-Norm =   42    HE1

  42  TRP    H      41  TRP   HA            2.55      # rEff=   2.12       uni-biDir =    1        Ass-Norm =   42      H

  42  TRP    H      41  TRP  HE3            3.98      # rEff=   3.25       uni-biDir =    1        Ass-Norm =   42      H

  42  TRP    H      42  TRP   HA            3.44      # rEff=   2.86       uni-biDir =    1        Ass-Norm =   42      H

  42  TRP    H      42  TRP  HB3            3.49      # rEff=   2.91       uni-biDir =    1        Ass-Norm =   42      H

  42  TRP  HE1      42  TRP   HA            5.46      # rEff=   4.55       uni-biDir =    1        Ass-Norm =   42    HE1

  42  TRP  HE1      42  TRP  HH2            6.50      # rEff=   2.54       uni-biDir =    1        Ass-Norm =   42    HE1

  42  TRP    H      53  VAL    H            3.51      # rEff=   2.68       uni-biDir =    1        Ass-Norm =   42      H

  42  TRP    H      54  PRO   HA            4.38      # rEff=   3.65       uni-biDir =    1        Ass-Norm =   42      H

  42  TRP    H      55  ALA    H            3.49      # rEff=   3.49       uni-biDir =    2        Ass-Norm =   42      H

  42  TRP    H      55  ALA   HA            4.61      # rEff=   3.34       uni-biDir =    1        Ass-Norm =   42      H

  42  TRP    H      55  ALA   QB            4.43      # rEff=   4.08       uni-biDir =    1        Ass-Norm =   42      H

  42  TRP  HE1      55  ALA   QB            4.04      # rEff=   3.27       uni-biDir =    1        Ass-Norm =   42    HE1

  43  LYS    H      33  LEU  QD1            4.47      # rEff=   3.85       uni-biDir =    1        Ass-Norm =   43      H

  43  LYS    H      34  LEU  QD1            5.81      # rEff=   5.36       uni-biDir =    1        Ass-Norm =   43      H

  43  LYS    H      35  ASN    H            3.38      # rEff=   2.82       uni-biDir =    1        Ass-Norm =   43      H

  43  LYS    H      35  ASN  HB3            4.01      # rEff=   3.34       uni-biDir =    1        Ass-Norm =   43      H

  43  LYS    H      41  TRP  HB2            5.42      # rEff=   3.43       uni-biDir =    1        Ass-Norm =   43      H

  43  LYS    H      42  TRP   HA            2.63      # rEff=   2.19       uni-biDir =    1        Ass-Norm =   43      H

  43  LYS    H      42  TRP  HB3            4.02      # rEff=   3.10       uni-biDir =    1        Ass-Norm =   43      H

  43  LYS    H      43  LYS   HA            3.47      # rEff=   2.89       uni-biDir =    1        Ass-Norm =   43      H

  43  LYS    H      43  LYS  HB2            3.18      # rEff=   2.65       uni-biDir =    1        Ass-Norm =   43      H

  43  LYS    H      43  LYS  HB3            3.16      # rEff=   2.63       uni-biDir =    1        Ass-Norm =   43      H

  43  LYS    H      44  VAL  QG2            5.78      # rEff=   4.41       uni-biDir =    1        Ass-Norm =   43      H

  44  VAL    H      34  LEU  QD1            4.24      # rEff=   3.91       uni-biDir =    1        Ass-Norm =   44      H

  44  VAL    H      43  LYS   HA            2.60      # rEff=   2.17       uni-biDir =    1        Ass-Norm =   44      H

  44  VAL    H      43  LYS  HB2            4.27      # rEff=   3.56       uni-biDir =    1        Ass-Norm =   44      H

  44  VAL    H      43  LYS  HG2            3.64      # rEff=   3.03       uni-biDir =    1        Ass-Norm =   44      H

  44  VAL    H      44  VAL   HA            3.42      # rEff=   2.85       uni-biDir =    1        Ass-Norm =   44      H

  44  VAL    H      44  VAL   HB            4.53      # rEff=   3.77       uni-biDir =    1        Ass-Norm =   44      H

  44  VAL    H      44  VAL  QG1            3.37      # rEff=   2.74       uni-biDir =    1        Ass-Norm =   44      H

  44  VAL    H      51  GLY    H            2.83      # rEff=   2.83       uni-biDir =    2        Ass-Norm =   44      H

  44  VAL    H      52  PHE   HA            4.41      # rEff=   3.35       uni-biDir =    1        Ass-Norm =   44      H

  45  GLU    H      32  THR   HB            3.66      # rEff=   3.05       uni-biDir =    1        Ass-Norm =   45      H

  45  GLU    H      33  LEU   HA            4.97      # rEff=   4.14       uni-biDir =    1        Ass-Norm =   45      H

  45  GLU    H      34  LEU   HG            4.07      # rEff=   3.31       uni-biDir =    1        Ass-Norm =   45      H

  45  GLU    H      44  VAL   HB            2.82      # rEff=   2.35       uni-biDir =    1        Ass-Norm =   45      H

  45  GLU    H      44  VAL  QG1            4.31      # rEff=   3.97       uni-biDir =    1        Ass-Norm =   45      H

  45  GLU    H      45  GLU   HA            2.76      # rEff=   2.30       uni-biDir =    1        Ass-Norm =   45      H

  45  GLU    H      45  GLU  HB2            3.39      # rEff=   2.82       uni-biDir =    1        Ass-Norm =   45      H

  46  VAL    H      23  VAL   HB            6.30      # rEff=   4.62       uni-biDir =    1        Ass-Norm =   46      H

  46  VAL    H      23  VAL  QG2            4.74      # rEff=   4.37       uni-biDir =    1        Ass-Norm =   46      H

  46  VAL    H      45  GLU   HA            2.57      # rEff=   2.15       uni-biDir =    1        Ass-Norm =   46      H

  46  VAL    H      45  GLU  HG3            3.70      # rEff=   3.08       uni-biDir =    1        Ass-Norm =   46      H

  46  VAL    H      45  GLU   QG            3.69      # rEff=   3.29       uni-biDir =    1        Ass-Norm =   46      H

  46  VAL    H      46  VAL   HA            3.37      # rEff=   2.80       uni-biDir =    1        Ass-Norm =   46      H

  46  VAL    H      46  VAL   HB            3.81      # rEff=   3.17       uni-biDir =    1        Ass-Norm =   46      H

  46  VAL    H      46  VAL  QG1            3.60      # rEff=   3.32       uni-biDir =    1        Ass-Norm =   46      H

  46  VAL    H      49  ARG    H            3.15      # rEff=   3.15       uni-biDir =    2        Ass-Norm =   46      H

  46  VAL    H      49  ARG  HB2            4.78      # rEff=   3.40       uni-biDir =    1        Ass-Norm =   46      H

  47  ASN    H      46  VAL   HA            2.63      # rEff=   2.19       uni-biDir =    1        Ass-Norm =   47      H

  47  ASN    H      46  VAL   HB            4.50      # rEff=   3.75       uni-biDir =    1        Ass-Norm =   47      H

  47  ASN    H      46  VAL  QG2            4.14      # rEff=   3.82       uni-biDir =    1        Ass-Norm =   47      H

  47  ASN HD22      46  VAL  QG1            5.93      # rEff=   5.47       uni-biDir =    1        Ass-Norm =   47   HD22

  47  ASN    H      47  ASN   HA            2.69      # rEff=   2.24       uni-biDir =    1        Ass-Norm =   47      H

  47  ASN    H      47  ASN  HB2            4.24      # rEff=   3.54       uni-biDir =    1        Ass-Norm =   47      H

  47  ASN    H      47  ASN  HB3            4.52      # rEff=   3.77       uni-biDir =    1        Ass-Norm =   47      H

  47  ASN HD21      47  ASN  HB2            5.19      # rEff=   4.32       uni-biDir =    1        Ass-Norm =   47   HD21

  47  ASN HD21      47  ASN  HB3            5.78      # rEff=   4.82       uni-biDir =    1        Ass-Norm =   47   HD21

  47  ASN HD21      47  ASN HD22            1.91      # rEff=   1.91       uni-biDir =    2        Ass-Norm =   47   HD21

  47  ASN HD22      47  ASN  HB2            4.27      # rEff=   3.55       uni-biDir =    1        Ass-Norm =   47   HD22

  47  ASN HD22      47  ASN  HB3            5.31      # rEff=   4.42       uni-biDir =    1        Ass-Norm =   47   HD22

  47  ASN    H      48  ASP    H            4.02      # rEff=   3.22       uni-biDir =    2        Ass-Norm =   47      H

  48  ASP    H      45  GLU  HG3            4.91      # rEff=   3.84       uni-biDir =    1        Ass-Norm =   48      H

  48  ASP    H      46  VAL  QG1            6.20      # rEff=   5.72       uni-biDir =    1        Ass-Norm =   48      H

  48  ASP    H      47  ASN   HA            3.48      # rEff=   2.90       uni-biDir =    1        Ass-Norm =   48      H

  48  ASP    H      47  ASN  HB2            4.24      # rEff=   3.03       uni-biDir =    1        Ass-Norm =   48      H

  48  ASP    H      48  ASP   HA            2.88      # rEff=   2.40       uni-biDir =    1        Ass-Norm =   48      H

  48  ASP    H      49  ARG    H            3.25      # rEff=   2.71       uni-biDir =    1        Ass-Norm =   48      H

  49  ARG    H      45  GLU   HA            5.88      # rEff=   4.90       uni-biDir =    1        Ass-Norm =   49      H

  49  ARG    H      46  VAL  QG1            5.70      # rEff=   5.26       uni-biDir =    1        Ass-Norm =   49      H

  49  ARG    H      47  ASN  HB3            5.79      # rEff=   4.82       uni-biDir =    1        Ass-Norm =   49      H

  49  ARG    H      49  ARG  HB2            3.43      # rEff=   2.86       uni-biDir =    1        Ass-Norm =   49      H

  49  ARG    H      49  ARG  HG2            4.14      # rEff=   3.45       uni-biDir =    1        Ass-Norm =   49      H

  50  GLN HE21       1  MET  HB2            4.58      # rEff=   3.82       uni-biDir =    1        Ass-Norm =   50   HE21

  50  GLN HE22       1  MET  HB2            4.10      # rEff=   3.41       uni-biDir =    1        Ass-Norm =   50   HE22

  50  GLN    H      23  VAL  QG2            5.74      # rEff=   4.83       uni-biDir =    1        Ass-Norm =   50      H

  50  GLN HE21      23  VAL  QG2            6.00      # rEff=   4.75       uni-biDir =    1        Ass-Norm =   50   HE21

  50  GLN HE22      23  VAL  QG2            6.03      # rEff=   4.82       uni-biDir =    1        Ass-Norm =   50   HE22

  50  GLN    H      49  ARG  HG2            4.65      # rEff=   3.75       uni-biDir =    1        Ass-Norm =   50      H

  50  GLN    H      49  ARG  HD2            5.81      # rEff=   4.84       uni-biDir =    1        Ass-Norm =   50      H

  50  GLN    H      50  GLN   HA            3.57      # rEff=   2.98       uni-biDir =    1        Ass-Norm =   50      H

  50  GLN    H      50  GLN  HB3            3.28      # rEff=   2.74       uni-biDir =    1        Ass-Norm =   50      H

  50  GLN HE21      50  GLN  HG3            4.67      # rEff=   3.89       uni-biDir =    1        Ass-Norm =   50   HE21

  50  GLN HE21      50  GLN HE22            1.80      # rEff=   1.80       uni-biDir =    2        Ass-Norm =   50   HE21

  50  GLN HE22      50  GLN  HG3            4.22      # rEff=   3.51       uni-biDir =    1        Ass-Norm =   50   HE22

  51  GLY    H      23  VAL  QG2            3.77      # rEff=   3.48       uni-biDir =    1        Ass-Norm =   51      H

  51  GLY    H      34  LEU  QD1            5.02      # rEff=   4.63       uni-biDir =    1        Ass-Norm =   51      H

  51  GLY    H      43  LYS  HG2            4.14      # rEff=   3.45       uni-biDir =    1        Ass-Norm =   51      H

  51  GLY    H      44  VAL   HA            4.92      # rEff=   3.27       uni-biDir =    1        Ass-Norm =   51      H

  51  GLY    H      44  VAL   HB            5.67      # rEff=   4.06       uni-biDir =    1        Ass-Norm =   51      H

  51  GLY    H      50  GLN   HA            2.66      # rEff=   2.21       uni-biDir =    1        Ass-Norm =   51      H

  51  GLY    H      50  GLN  HB3            4.11      # rEff=   3.43       uni-biDir =    1        Ass-Norm =   51      H

  51  GLY    H      50  GLN  HG3            5.84      # rEff=   4.87       uni-biDir =    1        Ass-Norm =   51      H

  51  GLY    H      51  GLY  HA2            3.24      # rEff=   2.70       uni-biDir =    1        Ass-Norm =   51      H

  52  PHE    H      22  GLU   HA            2.61      # rEff=   2.18       uni-biDir =    1        Ass-Norm =   52      H

  52  PHE    H      23  VAL  QG1            5.16      # rEff=   4.30       uni-biDir =    1        Ass-Norm =   52      H

  52  PHE    H      51  GLY  HA2            3.54      # rEff=   2.37       uni-biDir =    1        Ass-Norm =   52      H

  52  PHE    H      52  PHE   HA            3.47      # rEff=   2.89       uni-biDir =    1        Ass-Norm =   52      H

  52  PHE    H      52  PHE  HB2            3.21      # rEff=   2.68       uni-biDir =    1        Ass-Norm =   52      H

  52  PHE    H      52  PHE  HB3            3.95      # rEff=   3.29       uni-biDir =    1        Ass-Norm =   52      H

  52  PHE    H      52  PHE   QD            8.00      # rEff=   3.26       uni-biDir =    1        Ass-Norm =   52      H

  53  VAL    H      23  VAL    H            5.28      # rEff=   4.40       uni-biDir =    1        Ass-Norm =   53      H

  53  VAL    H      23  VAL   HB            5.22      # rEff=   3.93       uni-biDir =    1        Ass-Norm =   53      H

  53  VAL    H      23  VAL  QG2            3.88      # rEff=   3.11       uni-biDir =    1        Ass-Norm =   53      H

  53  VAL    H      41  TRP  HE3            3.44      # rEff=   3.22       uni-biDir =    1        Ass-Norm =   53      H

  53  VAL    H      42  TRP  HB2            4.86      # rEff=   4.05       uni-biDir =    1        Ass-Norm =   53      H

  53  VAL    H      42  TRP  HB3            5.31      # rEff=   3.93       uni-biDir =    1        Ass-Norm =   53      H

  53  VAL    H      43  LYS   HA            4.47      # rEff=   3.72       uni-biDir =    1        Ass-Norm =   53      H

  53  VAL    H      43  LYS  HB2            4.90      # rEff=   3.34       uni-biDir =    1        Ass-Norm =   53      H

  53  VAL    H      52  PHE   HA            2.59      # rEff=   2.16       uni-biDir =    1        Ass-Norm =   53      H

  53  VAL    H      52  PHE  HB2            4.46      # rEff=   3.71       uni-biDir =    1        Ass-Norm =   53      H

  53  VAL    H      52  PHE  HB3            3.78      # rEff=   3.15       uni-biDir =    1        Ass-Norm =   53      H

  53  VAL    H      53  VAL   HA            3.48      # rEff=   2.90       uni-biDir =    1        Ass-Norm =   53      H

  55  ALA    H      40  ASP   HA            4.40      # rEff=   3.46       uni-biDir =    1        Ass-Norm =   55      H

  55  ALA    H      41  TRP   HA            3.28      # rEff=   2.73       uni-biDir =    1        Ass-Norm =   55      H

  55  ALA    H      54  PRO   HA            2.58      # rEff=   2.15       uni-biDir =    1        Ass-Norm =   55      H

  55  ALA    H      54  PRO  HB2            4.81      # rEff=   4.00       uni-biDir =    1        Ass-Norm =   55      H

  55  ALA    H      54  PRO  HB3            4.53      # rEff=   3.78       uni-biDir =    1        Ass-Norm =   55      H

  55  ALA    H      55  ALA   HA            3.19      # rEff=   2.66       uni-biDir =    1        Ass-Norm =   55      H

  55  ALA    H      55  ALA   QB            2.83      # rEff=   2.61       uni-biDir =    1        Ass-Norm =   55      H

  55  ALA    H      56  ALA    H            3.29      # rEff=   2.74       uni-biDir =    1        Ass-Norm =   55      H

  56  ALA    H      54  PRO   HA            4.84      # rEff=   4.03       uni-biDir =    1        Ass-Norm =   56      H

  56  ALA    H      54  PRO  HB2            4.41      # rEff=   3.67       uni-biDir =    1        Ass-Norm =   56      H

  56  ALA    H      55  ALA   HA            4.16      # rEff=   3.47       uni-biDir =    1        Ass-Norm =   56      H

  56  ALA    H      55  ALA   QB            3.58      # rEff=   3.30       uni-biDir =    1        Ass-Norm =   56      H

  56  ALA    H      56  ALA   HA            3.44      # rEff=   2.86       uni-biDir =    1        Ass-Norm =   56      H

  56  ALA    H      56  ALA   QB            3.02      # rEff=   2.78       uni-biDir =    1        Ass-Norm =   56      H

  57  TYR    H      25  MET   QE            5.19      # rEff=   4.79       uni-biDir =    1        Ass-Norm =   57      H

  57  TYR    H      55  ALA   HA            4.07      # rEff=   3.39       uni-biDir =    1        Ass-Norm =   57      H

  57  TYR    H      56  ALA   HA            3.89      # rEff=   3.24       uni-biDir =    1        Ass-Norm =   57      H

  57  TYR    H      57  TYR  HB2            3.24      # rEff=   2.70       uni-biDir =    1        Ass-Norm =   57      H

  57  TYR    H      57  TYR  HB3            3.87      # rEff=   3.22       uni-biDir =    1        Ass-Norm =   57      H

  57  TYR    H      57  TYR   QD            8.00      # rEff=   3.79       uni-biDir =    1        Ass-Norm =   57      H

  58  VAL    H      55  ALA   HA            4.46      # rEff=   3.72       uni-biDir =    1        Ass-Norm =   58      H

  58  VAL    H      56  ALA   HA            4.13      # rEff=   3.44       uni-biDir =    1        Ass-Norm =   58      H

  58  VAL    H      57  TYR    H            3.03      # rEff=   2.52       uni-biDir =    1        Ass-Norm =   58      H

  58  VAL    H      57  TYR   HA            4.00      # rEff=   3.34       uni-biDir =    1        Ass-Norm =   58      H

  58  VAL    H      57  TYR  HB2            4.79      # rEff=   3.99       uni-biDir =    1        Ass-Norm =   58      H

  58  VAL    H      58  VAL   HA            3.43      # rEff=   2.86       uni-biDir =    1        Ass-Norm =   58      H

  58  VAL    H      58  VAL   HB            4.20      # rEff=   3.50       uni-biDir =    1        Ass-Norm =   58      H

  58  VAL    H      58  VAL  QG1            3.23      # rEff=   2.98       uni-biDir =    1        Ass-Norm =   58      H

  59  LYS    H       9  VAL  QG1            5.55      # rEff=   5.12       uni-biDir =    1        Ass-Norm =   59      H

  59  LYS    H      10  LEU    H            3.25      # rEff=   2.71       uni-biDir =    1        Ass-Norm =   59      H

  59  LYS    H      10  LEU  HB2            3.68      # rEff=   3.07       uni-biDir =    1        Ass-Norm =   59      H

  59  LYS    H      58  VAL   HA            2.72      # rEff=   2.27       uni-biDir =    1        Ass-Norm =   59      H

  59  LYS    H      59  LYS  HB2            3.05      # rEff=   2.54       uni-biDir =    1        Ass-Norm =   59      H

  60  LYS    H       9  VAL  QG1            5.11      # rEff=   4.72       uni-biDir =    1        Ass-Norm =   60      H

  60  LYS    H      58  VAL  QG1            5.26      # rEff=   4.86       uni-biDir =    1        Ass-Norm =   60      H

  60  LYS    H      59  LYS   HA            2.71      # rEff=   2.26       uni-biDir =    1        Ass-Norm =   60      H

  60  LYS    H      60  LYS   HA            3.50      # rEff=   2.92       uni-biDir =    1        Ass-Norm =   60      H

  60  LYS    H      60  LYS  HB2            3.22      # rEff=   2.68       uni-biDir =    1        Ass-Norm =   60      H

  60  LYS    H      60  LYS  HB3            3.73      # rEff=   3.11       uni-biDir =    1        Ass-Norm =   60      H

  60  LYS    H      60  LYS  HG2            4.15      # rEff=   3.21       uni-biDir =    1        Ass-Norm =   60      H

  61  LEU    H       9  VAL   HA            3.04      # rEff=   2.54       uni-biDir =    1        Ass-Norm =   61      H

  61  LEU    H       9  VAL  QG1            4.50      # rEff=   4.15       uni-biDir =    1        Ass-Norm =   61      H

  61  LEU    H      60  LYS  HB3            4.40      # rEff=   3.38       uni-biDir =    1        Ass-Norm =   61      H

  61  LEU    H      60  LYS  HG2            4.77      # rEff=   3.97       uni-biDir =    1        Ass-Norm =   61      H

  61  LEU    H      61  LEU   HA            2.88      # rEff=   2.07       uni-biDir =    1        Ass-Norm =   61      H

  61  LEU    H      61  LEU  HB2            3.07      # rEff=   2.56       uni-biDir =    1        Ass-Norm =   61      H

  61  LEU    H      61  LEU  QD1            4.49      # rEff=   4.14       uni-biDir =    1        Ass-Norm =   61      H

  61  LEU    H      62  ASP    H            3.15      # rEff=   2.63       uni-biDir =    1        Ass-Norm =   61      H

  62  ASP    H      62  ASP  HB2            3.85      # rEff=   3.21       uni-biDir =    1        Ass-Norm =   62      H

   2  ASP    H       2  ASP   HA            2.80

   3  GLU    H       4  THR    H            3.02

   4  THR    H       4  THR   HA            3.35

   4  THR    H       4  THR   HB            3.15

   4  THR    H       5  GLY    H            2.91

   6  LYS    H       6  LYS  HE2            5.94

   9  VAL    H      31  LEU    H            2.84

   9  VAL    H      61  LEU    H            5.06

  10  LEU    H      58  VAL   HA            4.46

  11  ALA    H      25  MET   QE            4.93

  11  ALA    H      27  LYS   HA            5.25

  11  ALA    H      28  GLY    H            3.26

  11  ALA    H      29  ASP    H            3.45

  11  ALA    H      29  ASP  HB2            5.23

  12  LEU    H      11  ALA    H            4.29

  12  LEU    H      25  MET  HG2            6.00

  12  LEU    H      25  MET  HG3            4.05

  13  TYR    H      14  ASP    H            4.43

  13  TYR    H      57  TYR   HA            4.21

  13  TYR    H      58  VAL   HA            6.00

  14  ASP    H      26  LYS   HA            5.58

  14  ASP    H      57  TYR   QD            8.00

  15  TYR    H      13  TYR    H            5.09

  15  TYR    H      13  TYR   QD            8.00

  15  TYR    H      16  GLN    H            4.57

  15  TYR    H      24  THR   HA            5.50

  16  GLN    H      15  TYR   QE            8.00

  16  GLN HE22      16  GLN   HA            5.37

  16  GLN    H      24  THR  QG2            5.21

  16  GLN HE22      24  THR  QG2            6.21

  18  LYS    H      18  LYS   HA            2.75

  21  ARG    H      21  ARG  HD2            4.99

  21  ARG    H      21  ARG HH11            3.82

  22  GLU    H      19  SER  HB2            4.44

  22  GLU    H      23  VAL    H            4.69

  22  GLU    H      51  GLY  HA2            4.59

  23  VAL    H      15  TYR   QE            8.00

  25  MET    H      15  TYR  HB3            4.29

  25  MET    H      24  THR    H            4.42

  30  ILE    H      29  ASP   HA            2.51

  30  ILE    H      29  ASP  HB2            3.21

  30  ILE    H      30  ILE   HA            3.14

  30  ILE    H      30  ILE   HB            2.59

  30  ILE    H      30  ILE  QD1            4.88

  32  THR    H      44  VAL   HB            3.35

  32  THR    H      46  VAL   HA            4.23

  34  LEU    H      33  LEU  HB3            4.05

  34  LEU    H      43  LYS    H            5.13

  34  LEU    H      44  VAL   HB            4.54

  34  LEU    H      45  GLU    H            4.66

  35  ASN    H      33  LEU  HB3            4.64

  35  ASN HD21      35  ASN   HA            4.18

  35  ASN HD21      35  ASN  HB3            4.31

  35  ASN HD22      35  ASN   HA            4.02

  35  ASN HD21      37  THR   HB            4.58

  35  ASN    H      42  TRP   HA            5.00

  35  ASN    H      52  PHE   QE            8.00

  36  SER    H      35  ASN  HB3            4.17

  36  SER    H      35  ASN HD21            4.74

  36  SER    H      35  ASN HD22            4.86

  36  SER    H      38  ASN    H            3.79

  36  SER    H      43  LYS  HB2            4.88

  37  THR    H      35  ASN   HA            3.75

  37  THR    H      35  ASN  HB3            4.70

  37  THR    H      35  ASN HD22            3.27

  37  THR    H      36  SER  HB2            4.60

  37  THR    H      36  SER  HB3            4.20

  38  ASN    H      38  ASN HD21            5.49

  38  ASN    H      39  LYS    H            4.11

  38  ASN    H      42  TRP   HA            4.69

  39  LYS    H      38  ASN HD21            5.15

  39  LYS    H      38  ASN HD22            4.60

  40  ASP    H      38  ASN   HA            4.34

  40  ASP    H      41  TRP   HA            5.50

  40  ASP    H      41  TRP  HD1            8.00

  41  TRP    H      38  ASN   HA            4.29

  41  TRP    H      38  ASN HD22            3.86

  41  TRP    H      39  LYS  HG2            5.34

  42  TRP  HE1      36  SER  HB2            8.00

  42  TRP    H      41  TRP    H            4.23

  42  TRP    H      52  PHE  HB3            4.32

  43  LYS    H      35  ASN   HA            5.55

  43  LYS    H      36  SER   HA            4.45

  43  LYS    H      38  ASN    H            4.31

  43  LYS    H      52  PHE   QD            8.00

  43  LYS    H      52  PHE   QE            8.00

  44  VAL    H      34  LEU  HB3            5.15

  44  VAL    H      43  LYS  HB3            4.20

  44  VAL    H      45  GLU  HB2            6.00

  44  VAL    H      52  PHE  HB2            5.79

  44  VAL    H      53  VAL    H            3.81

  46  VAL    H      46  VAL  QG2            5.15

  47  ASN HD22      24  THR    H            6.5

  47  ASN    H      46  VAL    H            4.19

  47  ASN HD22      46  VAL  QG1            4.95

  47  ASN    H      47  ASN   HA            2.24

  47  ASN    H      47  ASN HD21            5.11

  47  ASN    H      47  ASN HD22            4.91

  47  ASN HD22      47  ASN   HA            5.17

  47  ASN    H      49  ARG    H            4.78

  47  ASN HD21      49  ARG   HA            4.71

  47  ASN HD22      49  ARG   HA            5.35

  48  ASP    H      49  ARG  HB2            5.93

  49  ARG    H      45  GLU   HA            4.90

  49  ARG    H      47  ASN   HA            5.55

  49  ARG    H      49  ARG  HD2            4.94

  49  ARG    H      50  GLN    H            4.07

  50  GLN HE22       2  ASP   HA            6.0

  50  GLN HE22      50  GLN   HA            5.63

  51  GLY    H      22  GLU    H            6.10

  51  GLY    H      52  PHE  HB2            5.85

  51  GLY    H      52  PHE   QD            8.00

  52  PHE    H      22  GLU    H            4.49

  52  PHE    H      22  GLU  HB2            5.01

  52  PHE    H      23  VAL   HA            4.35

  52  PHE    H      43  LYS  HB2            5.84

  52  PHE    H      53  VAL    H            4.31

  53  VAL    H      23  VAL   HB            3.93

  53  VAL    H      25  MET   QE            5.56

  53  VAL    H      41  TRP   HA            4.36

  53  VAL    H      43  LYS    H            4.03

  53  VAL    H      51  GLY    H            5.60

  55  ALA    H      41  TRP  HE3            8.00

  55  ALA    H      54  PRO  HB3            4.13

  56  ALA    H      57  TYR   QD            8.00

  56  ALA    H      57  TYR   QE            8.00

  57  TYR    H      55  ALA   QB            4.86

  57  TYR    H      57  TYR   HA            2.99

  58  VAL    H      13  TYR    H            5.21

  58  VAL    H      13  TYR   QD            8.00

  58  VAL    H      59  LYS    H            4.30

  59  LYS    H       9  VAL   HA            4.22

  60  LYS    H      10  LEU    H            4.20

  60  LYS    H      42  TRP  HE3            8.00

  60  LYS    H      42  TRP  HZ3            8.00

  61  LEU    H      59  LYS    H            4.85

  62  ASP    H      62  ASP  HB2            3.21

   8  LEU  HB2       8  LEU   HA            3.18      # rEff=   2.65       uni-biDir =    1        Ass-Norm =    8    HB2

   9  VAL   HA       9  VAL  QG1            2.82      # rEff=   3.12       uni-biDir =    2        Ass-Norm =    9     HA

   9  VAL  QG1      42  TRP  HE3            3.25      # rEff=   3.60       uni-biDir =    2        Ass-Norm =    9    QG1

   9  VAL   HA      60  LYS   HA            3.20      # rEff=   2.66       uni-biDir =    1        Ass-Norm =    9     HA

  10  LEU  HB2      10  LEU   HA            3.19      # rEff=   2.66       uni-biDir =    1        Ass-Norm =   10    HB2

  10  LEU  QD1      10  LEU   HA            3.98      # rEff=   3.67       uni-biDir =    1        Ass-Norm =   10    QD1

  10  LEU  QD1      28  GLY  HA2            4.34      # rEff=   4.00       uni-biDir =    1        Ass-Norm =   10    QD1

  11  ALA   HA      58  VAL   HA            3.01      # rEff=   2.76       uni-biDir =    2        Ass-Norm =   11     HA

  12  LEU  HB2      10  LEU  HB2            5.50      # rEff=   3.25       uni-biDir =    1        Ass-Norm =   12    HB2

  12  LEU   HA      12  LEU  HB2            2.61      # rEff=   2.61       uni-biDir =    2        Ass-Norm =   12     HA

  12  LEU   HA      12  LEU  HB3            3.74      # rEff=   3.11       uni-biDir =    1        Ass-Norm =   12     HA

  13  TYR  HB3      11  ALA   QB            5.31      # rEff=   4.90       uni-biDir =    1        Ass-Norm =   13    HB3

  13  TYR  HB3      13  TYR  HB2            3.66      # rEff=   3.05       uni-biDir =    1        Ass-Norm =   13    HB3

  13  TYR   QD      15  TYR   QE            3.25      # rEff=   2.92       uni-biDir =    2        Ass-Norm =   13     QD

  13  TYR  HB2      57  TYR   QD            8.00      # rEff=   3.24       uni-biDir =    1        Ass-Norm =   13    HB2

  13  TYR   QE      57  TYR   HA            8.00      # rEff=   3.50       uni-biDir =    1        Ass-Norm =   13     QE

  15  TYR  HB2      13  TYR   QD            8.00      # rEff=   4.29       uni-biDir =    1        Ass-Norm =   15    HB2

  15  TYR  HB2      15  TYR   HA            4.40      # rEff=   3.67       uni-biDir =    1        Ass-Norm =   15    HB2

  15  TYR  HB2      15  TYR   QE            8.00      # rEff=   4.12       uni-biDir =    1        Ass-Norm =   15    HB2

  15  TYR  HB2      15  TYR   QE            8.00      # rEff=   4.16       uni-biDir =    1        Ass-Norm =   15    HB2

  15  TYR   QE      17  GLU   HA            2.97      # rEff=   3.17       uni-biDir =    2        Ass-Norm =   15     QE

  15  TYR  HB2      25  MET  HG2            4.29      # rEff=   3.58       uni-biDir =    1        Ass-Norm =   15    HB2

  15  TYR  HB2      25  MET  HG3            4.29      # rEff=   3.57       uni-biDir =    1        Ass-Norm =   15    HB2

  16  GLN   HA      15  TYR   QB            4.34      # rEff=   3.20       uni-biDir =    1        Ass-Norm =   16     HA

  17  GLU  HB2      17  GLU   HA            3.47      # rEff=   2.89       uni-biDir =    1        Ass-Norm =   17    HB2

  17  GLU   HA      22  GLU  HG2            4.69      # rEff=   3.91       uni-biDir =    1        Ass-Norm =   17     HA

  18  LYS  HD3      17  GLU   HA            6.02      # rEff=   5.02       uni-biDir =    1        Ass-Norm =   18    HD3

  18  LYS  HB2      18  LYS   HA            3.88      # rEff=   3.23       uni-biDir =    1        Ass-Norm =   18    HB2

  18  LYS  HG3      18  LYS  HB2            3.76      # rEff=   3.13       uni-biDir =    1        Ass-Norm =   18    HG3

  19  SER  HB2      19  SER   HA            3.88      # rEff=   3.23       uni-biDir =    1        Ass-Norm =   19    HB2

  19  SER  HB2      19  SER  HB3            2.20      # rEff=   2.20       uni-biDir =    2        Ass-Norm =   19    HB2

  19  SER  HB3      19  SER   HA            3.41      # rEff=   2.84       uni-biDir =    1        Ass-Norm =   19    HB3

  19  SER  HB3      20  PRO  HD2            3.48      # rEff=   2.98       uni-biDir =    2        Ass-Norm =   19    HB3

  20  PRO  HB2      19  SER  HB3            5.50      # rEff=   3.92       uni-biDir =    1        Ass-Norm =   20    HB2

  20  PRO  HD2      19  SER   HA            2.97      # rEff=   2.48       uni-biDir =    1        Ass-Norm =   20    HD2

  20  PRO  HB2      20  PRO  HD2            4.83      # rEff=   4.03       uni-biDir =    1        Ass-Norm =   20    HB2

  20  PRO  HG3      20  PRO  HB3            3.64      # rEff=   3.03       uni-biDir =    1        Ass-Norm =   20    HG3

  20  PRO  HG3      20  PRO  HD2            3.44      # rEff=   2.87       uni-biDir =    1        Ass-Norm =   20    HG3

  20  PRO  HD2      20  PRO   QG            3.27      # rEff=   2.92       uni-biDir =    1        Ass-Norm =   20    HD2

  21  ARG  HB3      21  ARG   HA            3.61      # rEff=   3.01       uni-biDir =    1        Ass-Norm =   21    HB3

  21  ARG  HB3      21  ARG  HG2            3.79      # rEff=   3.16       uni-biDir =    1        Ass-Norm =   21    HB3

  21  ARG  HB3      21  ARG  HD2            4.70      # rEff=   3.92       uni-biDir =    1        Ass-Norm =   21    HB3

  22  GLU   HA      22  GLU  HG2            3.36      # rEff=   2.80       uni-biDir =    1        Ass-Norm =   22     HA

  22  GLU  HB3      41  TRP  HH2            4.50      # rEff=   4.21       uni-biDir =    1        Ass-Norm =   22    HB3

  22  GLU   HA      52  PHE   QE            8.00      # rEff=   4.03       uni-biDir =    1        Ass-Norm =   22     HA

  23  VAL   HA      23  VAL   HB            3.03      # rEff=   2.53       uni-biDir =    1        Ass-Norm =   23     HA

  23  VAL   HA      23  VAL  QG1            3.35      # rEff=   3.71       uni-biDir =    2        Ass-Norm =   23     HA

  23  VAL   HB      23  VAL  QG1            3.24      # rEff=   2.99       uni-biDir =    1        Ass-Norm =   23     HB

  23  VAL   HB      46  VAL  QG2            4.19      # rEff=   3.87       uni-biDir =    1        Ass-Norm =   23     HB

  24  THR  QG2      24  THR   HA            4.24      # rEff=   3.91       uni-biDir =    1        Ass-Norm =   24    QG2

  24  THR  QG2      24  THR   HB            3.46      # rEff=   3.19       uni-biDir =    1        Ass-Norm =   24    QG2

  27  LYS   HA      27  LYS  HG2            3.04      # rEff=   3.04       uni-biDir =    2        Ass-Norm =   27     HA

  27  LYS   HA      27  LYS   QB            3.20      # rEff=   2.85       uni-biDir =    1        Ass-Norm =   27     HA

  27  LYS  HB2      27  LYS   HA            3.23      # rEff=   2.69       uni-biDir =    1        Ass-Norm =   27    HB2

  27  LYS  HB3      27  LYS   HA            3.59      # rEff=   2.99       uni-biDir =    1        Ass-Norm =   27    HB3

  27  LYS  HB3      27  LYS  HG2            2.60      # rEff=   2.60       uni-biDir =    2        Ass-Norm =   27    HB3

  30  ILE  QD1      30  ILE   HA            4.42      # rEff=   4.07       uni-biDir =    1        Ass-Norm =   30    QD1

  30  ILE  QD1      30  ILE   HB            3.78      # rEff=   3.49       uni-biDir =    1        Ass-Norm =   30    QD1

  31  LEU  HB2      44  VAL   HB            3.70      # rEff=   3.08       uni-biDir =    1        Ass-Norm =   31    HB2

  32  THR  QG2      32  THR   HA            4.06      # rEff=   3.75       uni-biDir =    1        Ass-Norm =   32    QG2

  32  THR  QG2      32  THR   HB            3.68      # rEff=   3.40       uni-biDir =    1        Ass-Norm =   32    QG2

  33  LEU  QD1      42  TRP  HB3            4.13      # rEff=   3.81       uni-biDir =    1        Ass-Norm =   33    QD1

  33  LEU  QD1      42  TRP  HZ3            4.58      # rEff=   3.65       uni-biDir =    1        Ass-Norm =   33    QD1

  34  LEU  HB3      34  LEU   HA            3.26      # rEff=   2.72       uni-biDir =    1        Ass-Norm =   34    HB3

  36  SER  HB2       2  ASP   HA            6.55      # rEff=   2.96       uni-biDir =    1        Ass-Norm =   36    HB2

  36  SER  HB2      33  LEU  QD1            3.41      # rEff=   3.15       uni-biDir =    1        Ass-Norm =   36    HB2

  36  SER   HA      36  SER  HB2            2.94      # rEff=   2.45       uni-biDir =    1        Ass-Norm =   36     HA

  36  SER  HB3      36  SER  HB2            2.24      # rEff=   1.87       uni-biDir =    1        Ass-Norm =   36    HB3

  38  ASN  HB2      38  ASN   HA            3.98      # rEff=   3.31       uni-biDir =    1        Ass-Norm =   38    HB2

  38  ASN  HB2      38  ASN  HB3            2.86      # rEff=   2.39       uni-biDir =    1        Ass-Norm =   38    HB2

  38  ASN  HB3      38  ASN   HA            3.49      # rEff=   2.91       uni-biDir =    1        Ass-Norm =   38    HB3

  39  LYS   HA      39  LYS  HB2            3.14      # rEff=   2.62       uni-biDir =    1        Ass-Norm =   39     HA

  40  ASP  HB2      40  ASP   HA            3.18      # rEff=   2.65       uni-biDir =    1        Ass-Norm =   40    HB2

  40  ASP  HB2      40  ASP  HB3            1.91      # rEff=   1.91       uni-biDir =    2        Ass-Norm =   40    HB2

  41  TRP  HD1      40  ASP  HB3            3.28      # rEff=   2.73       uni-biDir =    1        Ass-Norm =   41    HD1

  41  TRP  HZ3      41  TRP  HH2            2.83      # rEff=   2.36       uni-biDir =    1        Ass-Norm =   41    HZ3

  42  TRP   HA      36  SER   HA            4.01      # rEff=   3.34       uni-biDir =    1        Ass-Norm =   42     HA

  42  TRP  HH2      55  ALA   QB            2.92      # rEff=   3.23       uni-biDir =    2        Ass-Norm =   42    HH2

  43  LYS  HB2      43  LYS   HA            3.15      # rEff=   2.63       uni-biDir =    1        Ass-Norm =   43    HB2

  43  LYS  HG2      43  LYS  HB3            3.13      # rEff=   2.61       uni-biDir =    1        Ass-Norm =   43    HG2

  43  LYS  HD2      43  LYS  HG2            4.04      # rEff=   3.36       uni-biDir =    1        Ass-Norm =   43    HD2

  46  VAL   HB      31  LEU  HB3            5.25      # rEff=   4.37       uni-biDir =    1        Ass-Norm =   46     HB

  46  VAL   HA      46  VAL  QQG            3.71      # rEff=   3.66       uni-biDir =    1        Ass-Norm =   46     HA

  46  VAL   HB      46  VAL  QQG            2.08      # rEff=   2.05       uni-biDir =    1        Ass-Norm =   46     HB

  47  ASN  HB2      47  ASN   HA            4.02      # rEff=   3.35       uni-biDir =    1        Ass-Norm =   47    HB2

  48  ASP  HB3      48  ASP   HA            3.92      # rEff=   3.26       uni-biDir =    1        Ass-Norm =   48    HB3

  49  ARG  HG2      49  ARG  HD2            4.27      # rEff=   3.56       uni-biDir =    1        Ass-Norm =   49    HG2

  52  PHE  HB2      21  ARG  HG2            4.13      # rEff=   3.44       uni-biDir =    1        Ass-Norm =   52    HB2

  52  PHE   HA      52  PHE  HB3            3.28      # rEff=   2.74       uni-biDir =    1        Ass-Norm =   52     HA

  54  PRO   HA      41  TRP   HA            3.30      # rEff=   2.75       uni-biDir =    1        Ass-Norm =   54     HA

  54  PRO   HA      54  PRO  HB2            3.64      # rEff=   3.04       uni-biDir =    1        Ass-Norm =   54     HA

  54  PRO   HA      54  PRO  HB3            2.67      # rEff=   2.67       uni-biDir =    2        Ass-Norm =   54     HA

  54  PRO   HA      58  VAL  QQG            5.58      # rEff=   4.71       uni-biDir =    1        Ass-Norm =   54     HA

  55  ALA   QB      40  ASP   HA            4.18      # rEff=   3.86       uni-biDir =    1        Ass-Norm =   55     QB

  55  ALA   HA      55  ALA   QB            2.93      # rEff=   2.70       uni-biDir =    1        Ass-Norm =   55     HA

  56  ALA   HA      56  ALA   QB            2.61      # rEff=   2.89       uni-biDir =    2        Ass-Norm =   56     HA

  57  TYR   QD      57  TYR   HA            8.00      # rEff=   3.20       uni-biDir =    1        Ass-Norm =   57     QD

  58  VAL  QG2      11  ALA   HA            3.73      # rEff=   3.44       uni-biDir =    1        Ass-Norm =   58    QG2

  58  VAL  QG1      55  ALA   HA            4.00      # rEff=   3.69       uni-biDir =    1        Ass-Norm =   58    QG1

  58  VAL   HA      58  VAL  QQG            3.33      # rEff=   3.28       uni-biDir =    1        Ass-Norm =   58     HA

  59  LYS  HB2      59  LYS   HA            3.69      # rEff=   3.07       uni-biDir =    1        Ass-Norm =   59    HB2

  60  LYS   HA       9  VAL  QG1            3.34      # rEff=   3.08       uni-biDir =    1        Ass-Norm =   60     HA

  60  LYS  HB3      60  LYS  HB2            2.89      # rEff=   2.41       uni-biDir =    1        Ass-Norm =   60    HB3

  61  LEU   HA      61  LEU  HB2            3.91      # rEff=   3.26       uni-biDir =    1        Ass-Norm =   61     HA

  1  MET  HB2       3  GLU  HB2            4.93

  11  ALA   QB      25  MET  HG2            3.12

  11  ALA   QB      27  LYS   HA            3.33

  11  ALA   QB      27  LYS  HB2            4.42

  13  TYR  HB3      27  LYS   HA            6.00

  13  TYR  HB3      57  TYR   QD            8.00

  18  LYS  HG3      18  LYS  HB2            3.13

  20  PRO   HA      20  PRO  HB3            2.54

  20  PRO  HB2      20  PRO  HB3            2.21

  22  GLU  HB3      23  VAL   HA            4.29

  30  ILE  QD1       9  VAL  QG1            4.36

  30  ILE  QG2      31  LEU   HG            4.43

  31  LEU  HB3      31  LEU  HB2            1.89

  31  LEU   HG      58  VAL  QQG            4.21

  40  ASP  HB3      40  ASP   HA            3.13

  41  TRP  HE3      57  TYR   QD            8.00

  44  VAL   HA      44  VAL   HB            2.53

  45  GLU   HA      50  GLN  HG3            4.57

  46  VAL  QG2      31  LEU  HB3            4.02

  46  VAL  QG1      44  VAL  QQG            2.55

  46  VAL   HB      50  GLN   HA            6.09

  49  ARG   HA      49  ARG  HB2            2.95

  52  PHE  HB2      52  PHE  HB3            2.39

  57  TYR   QD      57  TYR   QE            8.00

  58  VAL   HA      10  LEU  HB2            5.50# Restraints file 2: upper_limit_experimental_H_bonds_SH3.upl
  10	LEU	H	59	LYS	O	2.2	#H-bond

  13	TYR	H	57	TYR	O	2.7	#H-bond

  15	TYR	H	25	MET	O	2.2	#H-bond

  19	SER	H	22	ARG	OE1	2.4	#H-bond

  22	GLU	H	19	SER	O	2.2	#H-bond

  25	MET	H	15	TYR	O	2.2	#H-bond

  27	LYS	H	14	ASP	OD1	2.2	#H-bond

  32	THR	H	45	GLU	O	2.7	#H-bond

  33	LEU	H	7	GLU	O	2.2	#H-bond

  37	THR	H	35	ASN	OD1	2.2	#H-bond

  41	TRP	H	38	ASN	OD1	2.2	#H-bond

  44	VAL	H	51	GLY	O	2.7	#H-bond

  49	ARG	H	46	VAL	O	2.2	#H-bond

  52	PHE	H	21	ARG	O	2.2	#H-bond

  55	ALA	H	40	ASP	O	2.9	#H-bond

  58	VAL	H	56	ALA	O	2.4	#H-bond

  57	TYR	H	55	ALA	O	2.8	#H-bond

  23	VAL	H	52	PHE	O	2.2	#H-bond# Restraints file 3: 3JHNHAcouplings.cco
2 ASP 	H	2 ASP 	HA	7.10309	0.43875	1	0.111	-1.222	8.754
3 GLU 	H	3 GLU 	HA	7.35598	0.51675	1	0.111	-1.222	8.754
6 LYS 	H	6 LYS 	HA	7.54164	0.51755	1	0.111	-1.222	8.754
8 LEU 	H	8 LEU 	HA	8.5667	0.8799	1	0.111	-1.222	8.754
9 VAL 	H	9 VAL 	HA	9.98326	1.66448	1	0.111	-1.222	8.754
11 ALA 	H	11 ALA 	HA	5.95235	1.70741	1	0.111	-1.222	8.754
12 LEU 	H	12 LEU 	HA	6.37037	0.57104	1	0.111	-1.222	8.754
13 TYR 	H	13 TYR 	HA	9.00953	0.19775	1	0.111	-1.222	8.754
15 TYR 	H	15 TYR 	HA	7.70098	1.60435	1	0.111	-1.222	8.754
16 GLN 	H	16 GLN 	HA	9.00382	0.22775	1	0.111	-1.222	8.754
19 SER 	H	19 SER 	HA	5.90158	1.84479	1	0.111	-1.222	8.754
21 ARG 	H	21 ARG 	HA	7.6747	0.22175	1	0.111	-1.222	8.754
22 GLU 	H	22 GLU 	HA	9.46131	0.26938	1	0.111	-1.222	8.754
23 VAL 	H	23 VAL 	HA	9.52835	0.23109	1	0.111	-1.222	8.754
24 THR 	H	24 THR 	HA	8.18196	2.80146	1	0.111	-1.222	8.754
25 MET 	H	25 MET 	HA	9.02391	0.26003	1	0.111	-1.222	8.754
26 LYS 	H	26 LYS 	HA	10.28775	0.22198	1	0.111	-1.222	8.754
29 ASP 	H	29 ASP 	HA	4.29538	4.50899	1	0.111	-1.222	8.754
30 ILE 	H	30 ILE 	HA	8.8719	0.69542	1	0.111	-1.222	8.754
31 LEU 	H	31 LEU 	HA	10.12554	0.28341	1	0.111	-1.222	8.754
32 THR 	H	32 THR 	HA	8.1669	0.22789	1	0.111	-1.222	8.754
34 LEU 	H	34 LEU 	HA	9.17666	0.39599	1	0.111	-1.222	8.754
35 ASN 	H	35 ASN 	HA	7.3803	0.24358	1	0.111	-1.222	8.754
36 SER 	H	36 SER 	HA	9.41941	1.94223	1	0.111	-1.222	8.754
38 ASN 	H	38 ASN 	HA	8.25256	0.24228	1	0.111	-1.222	8.754
39 LYS 	H	39 LYS 	HA	3.27038	1.76923	1	0.111	-1.222	8.754
41 TRP 	H	41 TRP 	HA	9.35949	0.29774	1	0.111	-1.222	8.754
42 TRP 	H	42 TRP 	HA	9.21016	0.38859	1	0.111	-1.222	8.754
44 VAL 	H	44 VAL 	HA	10.191	1.73498	1	0.111	-1.222	8.754
45 GLU 	H	45 GLU 	HA	9.99871	0.24573	1	0.111	-1.222	8.754
46 VAL 	H	46 VAL 	HA	8.15996	1.4662	1	0.111	-1.222	8.754
47 ASN 	H	47 ASN 	HA	6.43188	0.26165	1	0.111	-1.222	8.754
48 ASP 	H	48 ASP 	HA	8.04126	1.05301	1	0.111	-1.222	8.754
49 ARG 	H	49 ARG 	HA	9.15755	1.43789	1	0.111	-1.222	8.754
50 GLN 	H	50 GLN 	HA	9.16116	0.95093	1	0.111	-1.222	8.754
52 PHE 	H	52 PHE 	HA	8.4874	0.49671	1	0.111	-1.222	8.754
58 VAL 	H	58 VAL 	HA	9.68519	1.39587	1	0.111	-1.222	8.754
59 LYS 	H	59 LYS 	HA	9.70363	2.81778	1	0.111	-1.222	8.754
60 LYS 	H	60 LYS 	HA	4.66059	0.30572	1	0.111	-1.222	8.754
61 LEU 	H	61 LEU 	HA	7.80218	3.00384	1	0.111	-1.222	8.754
62 ASP 	H	62 ASP 	HA	7.33025	0.11566	1	0.111	-1.222	8.754
# Restraints file 4: lower_distance_restraints_NOE_SH3.lol
   2  ASP    H       1  MET   HA            2.36      # rEff=   2.95       uni-biDir =    1         Ass-Norm =    2      H

   2  ASP    H       2  ASP  HB2            2.95      # rEff=   3.69       uni-biDir =    1         Ass-Norm =    2      H

   2  ASP    H       3  GLU  HB3            3.64      # rEff=   4.55       uni-biDir =    1         Ass-Norm =    2      H

   3  GLU    H       2  ASP  HB3            3.42      # rEff=   4.28       uni-biDir =    1         Ass-Norm =    3      H

   3  GLU    H       3  GLU   HA            2.29      # rEff=   3.55       uni-biDir =    1         Ass-Norm =    3      H

   3  GLU    H       3  GLU  HB2            2.80      # rEff=   3.50       uni-biDir =    1         Ass-Norm =    3      H

   3  GLU    H       3  GLU  HB3            3.24      # rEff=   4.05       uni-biDir =    1         Ass-Norm =    3      H

   3  GLU    H       3  GLU  HG2            3.12      # rEff=   3.90       uni-biDir =    1         Ass-Norm =    3      H

   5  GLY    H       4  THR   HA            2.30      # rEff=   2.87       uni-biDir =    1         Ass-Norm =    5      H

   5  GLY    H       5  GLY  HA2            2.25      # rEff=   2.81       uni-biDir =    1         Ass-Norm =    5      H

   5  GLY    H       6  LYS    H            3.24      # rEff=   3.24       uni-biDir =    2         Ass-Norm =    5      H

   6  LYS    H       5  GLY  HA2            2.40      # rEff=   3.00       uni-biDir =    1         Ass-Norm =    6      H

   6  LYS    H       6  LYS   HA            2.37      # rEff=   3.15       uni-biDir =    1         Ass-Norm =    6      H

   6  LYS    H       6  LYS  HG3            2.86      # rEff=   3.58       uni-biDir =    1         Ass-Norm =    6      H

   6  LYS    H       6  LYS  HD3            2.70      # rEff=   3.37       uni-biDir =    1         Ass-Norm =    6      H

   6  LYS    H       7  GLU    H            2.95      # rEff=   3.69       uni-biDir =    1         Ass-Norm =    6      H

   8  LEU    H       7  GLU   HA            1.75      # rEff=   2.19       uni-biDir =    1         Ass-Norm =    8      H

   8  LEU    H       7  GLU  HB3            2.75      # rEff=   3.43       uni-biDir =    1         Ass-Norm =    8      H

   8  LEU    H       7  GLU  HG2            3.02      # rEff=   3.78       uni-biDir =    1         Ass-Norm =    8      H

   8  LEU    H       7  GLU  HG3            3.17      # rEff=   3.97       uni-biDir =    1         Ass-Norm =    8      H

   8  LEU    H       8  LEU   HA            2.40      # rEff=   3.00       uni-biDir =    1         Ass-Norm =    8      H

   8  LEU    H       8  LEU  HB2            2.60      # rEff=   3.25       uni-biDir =    1         Ass-Norm =    8      H

   8  LEU    H       8  LEU  HB3            2.05      # rEff=   2.57       uni-biDir =    1         Ass-Norm =    8      H

   8  LEU    H       8  LEU  QD1            2.58      # rEff=   4.23       uni-biDir =    1         Ass-Norm =    8      H

   9  VAL    H       8  LEU    H            3.58      # rEff=   4.48       uni-biDir =    1         Ass-Norm =    9      H

   9  VAL    H       8  LEU   HA            1.73      # rEff=   2.17       uni-biDir =    1         Ass-Norm =    9      H

   9  VAL    H       8  LEU  QD1            1.90      # rEff=   3.11       uni-biDir =    1         Ass-Norm =    9      H

   9  VAL    H       9  VAL   HA            2.33      # rEff=   2.91       uni-biDir =    1         Ass-Norm =    9      H

   9  VAL    H       9  VAL   HB            3.05      # rEff=   3.81       uni-biDir =    1         Ass-Norm =    9      H

   9  VAL    H       9  VAL  QG1            2.24      # rEff=   3.68       uni-biDir =    1         Ass-Norm =    9      H

   9  VAL    H      30  ILE   HA            3.09      # rEff=   3.87       uni-biDir =    1         Ass-Norm =    9      H

   9  VAL    H      32  THR   HA            2.93      # rEff=   3.66       uni-biDir =    1         Ass-Norm =    9      H

  10  LEU    H       9  VAL   HA            1.78      # rEff=   2.22       uni-biDir =    1         Ass-Norm =   10      H

  10  LEU    H       9  VAL   HB            2.00      # rEff=   2.51       uni-biDir =    1         Ass-Norm =   10      H

  10  LEU    H       9  VAL  QG1            2.69      # rEff=   4.41       uni-biDir =    1         Ass-Norm =   10      H

  10  LEU    H      10  LEU   HA            2.32      # rEff=   2.90       uni-biDir =    1         Ass-Norm =   10      H

  10  LEU    H      10  LEU  HB2            2.12      # rEff=   2.65       uni-biDir =    1         Ass-Norm =   10      H

  10  LEU    H      10  LEU  HB3            1.93      # rEff=   2.42       uni-biDir =    1         Ass-Norm =   10      H

  10  LEU    H      60  LYS   HA            2.98      # rEff=   3.73       uni-biDir =    1         Ass-Norm =   10      H

  10  LEU    H      60  LYS  HB2            2.95      # rEff=   3.68       uni-biDir =    1         Ass-Norm =   10      H

  11  ALA    H      10  LEU   HA            1.73      # rEff=   2.17       uni-biDir =    1         Ass-Norm =   11      H

  11  ALA    H      10  LEU  HB2            3.19      # rEff=   3.99       uni-biDir =    1         Ass-Norm =   11      H

  11  ALA    H      10  LEU  QD1            1.85      # rEff=   3.04       uni-biDir =    1         Ass-Norm =   11      H

  11  ALA    H      11  ALA   HA            2.30      # rEff=   2.88       uni-biDir =    1         Ass-Norm =   11      H

  11  ALA    H      11  ALA   QB            1.65      # rEff=   2.70       uni-biDir =    1         Ass-Norm =   11      H

  11  ALA    H      29  ASP  HB3            3.31      # rEff=   4.14       uni-biDir =    1         Ass-Norm =   11      H

  11  ALA    H      30  ILE   HA            2.67      # rEff=   3.34       uni-biDir =    1         Ass-Norm =   11      H

  11  ALA    H      31  LEU   HG            2.75      # rEff=   3.44       uni-biDir =    1         Ass-Norm =   11      H

  12  LEU    H      11  ALA   HA            1.64      # rEff=   2.05       uni-biDir =    1         Ass-Norm =   12      H

  12  LEU    H      11  ALA   QB            2.29      # rEff=   3.75       uni-biDir =    1         Ass-Norm =   12      H

  12  LEU    H      12  LEU   HA            2.22      # rEff=   2.78       uni-biDir =    1         Ass-Norm =   12      H

  12  LEU    H      12  LEU  HB2            2.18      # rEff=   2.72       uni-biDir =    1         Ass-Norm =   12      H

  12  LEU    H      12  LEU  HB3            2.12      # rEff=   2.65       uni-biDir =    1         Ass-Norm =   12      H

  12  LEU    H      13  TYR    H            2.42      # rEff=   2.42       uni-biDir =    2         Ass-Norm =   12      H

  12  LEU    H      58  VAL   HA            1.99      # rEff=   2.49       uni-biDir =    1         Ass-Norm =   12      H

  13  TYR    H      11  ALA   QB            2.13      # rEff=   3.49       uni-biDir =    1         Ass-Norm =   13      H

  13  TYR    H      12  LEU   HA            2.59      # rEff=   3.24       uni-biDir =    1         Ass-Norm =   13      H

  13  TYR    H      12  LEU  HB3            2.57      # rEff=   3.21       uni-biDir =    1         Ass-Norm =   13      H

  13  TYR    H      13  TYR   HA            2.13      # rEff=   2.66       uni-biDir =    1         Ass-Norm =   13      H

  13  TYR    H      13  TYR  HB2            2.41      # rEff=   3.01       uni-biDir =    1         Ass-Norm =   13      H

  13  TYR    H      13  TYR  HB3            2.79      # rEff=   3.48       uni-biDir =    1         Ass-Norm =   13      H

  13  TYR    H      13  TYR   QE            2.21      # rEff=   3.67       uni-biDir =    1         Ass-Norm =   13      H

  13  TYR    H      25  MET   QE            2.48      # rEff=   4.06       uni-biDir =    1         Ass-Norm =   13      H

  13  TYR    H      27  LYS   HA            2.66      # rEff=   3.33       uni-biDir =    1         Ass-Norm =   13      H

  13  TYR    H      57  TYR  HB3            2.98      # rEff=   3.73       uni-biDir =    1         Ass-Norm =   13      H

  14  ASP    H      13  TYR  HB2            2.64      # rEff=   3.30       uni-biDir =    1         Ass-Norm =   14      H

  14  ASP    H      13  TYR  HB3            2.27      # rEff=   2.83       uni-biDir =    1         Ass-Norm =   14      H

  14  ASP    H      14  ASP   HA            1.80      # rEff=   2.25       uni-biDir =    1         Ass-Norm =   14      H

  14  ASP    H      14  ASP  HB2            2.14      # rEff=   2.67       uni-biDir =    1         Ass-Norm =   14      H

  14  ASP    H      14  ASP  HB3            2.55      # rEff=   3.19       uni-biDir =    1         Ass-Norm =   14      H

  14  ASP    H      27  LYS    H            3.52      # rEff=   3.52       uni-biDir =    2         Ass-Norm =   14      H

  14  ASP    H      27  LYS   HA            3.52      # rEff=   4.40       uni-biDir =    1         Ass-Norm =   14      H

  14  ASP    H      27  LYS  HB2            2.47      # rEff=   3.09       uni-biDir =    1         Ass-Norm =   14      H

  14  ASP    H      27  LYS  HB3            2.71      # rEff=   3.39       uni-biDir =    1         Ass-Norm =   14      H

  14  ASP    H      27  LYS  HG2            3.37      # rEff=   4.21       uni-biDir =    1         Ass-Norm =   14      H

  15  TYR    H      11  ALA   QB            2.83      # rEff=   4.65       uni-biDir =    1         Ass-Norm =   15      H

  15  TYR    H      15  TYR  HB2            2.14      # rEff=   2.67       uni-biDir =    1         Ass-Norm =   15      H

  15  TYR    H      15  TYR  HB3            2.61      # rEff=   3.26       uni-biDir =    1         Ass-Norm =   15      H

  15  TYR    H      24  THR  QG2            2.68      # rEff=   4.40       uni-biDir =    1         Ass-Norm =   15      H

  15  TYR    H      25  MET    H            2.88      # rEff=   2.88       uni-biDir =    2         Ass-Norm =   15      H

  15  TYR    H      25  MET  HB2            2.91      # rEff=   3.63       uni-biDir =    1         Ass-Norm =   15      H

  15  TYR    H      25  MET  HG3            2.76      # rEff=   3.46       uni-biDir =    1         Ass-Norm =   15      H

  15  TYR    H      26  LYS   HA            2.79      # rEff=   3.49       uni-biDir =    1         Ass-Norm =   15      H

  16  GLN    H      15  TYR   HA            1.79      # rEff=   2.24       uni-biDir =    1         Ass-Norm =   16      H

  16  GLN    H      15  TYR  HB2            3.31      # rEff=   4.14       uni-biDir =    1         Ass-Norm =   16      H

  16  GLN    H      15  TYR  HB3            3.16      # rEff=   3.95       uni-biDir =    1         Ass-Norm =   16      H

  16  GLN    H      16  GLN   HA            2.27      # rEff=   2.84       uni-biDir =    1         Ass-Norm =   16      H

  16  GLN    H      16  GLN  HB2            1.97      # rEff=   2.46       uni-biDir =    1         Ass-Norm =   16      H

  16  GLN    H      16  GLN  HG2            3.20      # rEff=   3.99       uni-biDir =    1         Ass-Norm =   16      H

  16  GLN HE22      16  GLN  HG2            3.35      # rEff=   4.19       uni-biDir =    1         Ass-Norm =   16   HE22

  19  SER    H      18  LYS    H            2.06      # rEff=   2.58       uni-biDir =    1         Ass-Norm =   19      H

  19  SER    H      18  LYS   HA            2.53      # rEff=   3.16       uni-biDir =    1         Ass-Norm =   19      H

  19  SER    H      18  LYS  HD3            3.68      # rEff=   4.60       uni-biDir =    1         Ass-Norm =   19      H

  19  SER    H      19  SER   HA            2.35      # rEff=   2.93       uni-biDir =    1         Ass-Norm =   19      H

  19  SER    H      19  SER  HB2            2.28      # rEff=   3.35       uni-biDir =    1         Ass-Norm =   19      H

  19  SER    H      19  SER  HB3            2.65      # rEff=   3.32       uni-biDir =    1         Ass-Norm =   19      H

  19  SER    H      22  GLU  HB3            2.29      # rEff=   2.87       uni-biDir =    1         Ass-Norm =   19      H

  19  SER    H      22  GLU  HG2            3.06      # rEff=   3.82       uni-biDir =    1         Ass-Norm =   19      H

  21  ARG    H      19  SER  HB2            3.01      # rEff=   3.77       uni-biDir =    1         Ass-Norm =   21      H

  21  ARG    H      20  PRO  HB3            3.26      # rEff=   4.08       uni-biDir =    1         Ass-Norm =   21      H

  21  ARG    H      20  PRO  HD2            2.76      # rEff=   3.45       uni-biDir =    1         Ass-Norm =   21      H

  21  ARG    H      21  ARG   HA            2.28      # rEff=   2.84       uni-biDir =    1         Ass-Norm =   21      H

  21  ARG    H      21  ARG  HB2            2.49      # rEff=   3.11       uni-biDir =    1         Ass-Norm =   21      H

  21  ARG    H      21  ARG  HG2            2.69      # rEff=   3.37       uni-biDir =    1         Ass-Norm =   21      H

  21  ARG    H      22  GLU  HB3            3.96      # rEff=   4.95       uni-biDir =    1         Ass-Norm =   21      H

  22  GLU    H      15  TYR   QE            2.93      # rEff=   4.87       uni-biDir =    1         Ass-Norm =   22      H

  22  GLU    H      19  SER  HB3            3.43      # rEff=   4.29       uni-biDir =    1         Ass-Norm =   22      H

  22  GLU    H      20  PRO   HA            2.47      # rEff=   3.08       uni-biDir =    1         Ass-Norm =   22      H

  22  GLU    H      20  PRO  HB2            2.92      # rEff=   3.65       uni-biDir =    1         Ass-Norm =   22      H

  22  GLU    H      20  PRO  HB3            2.87      # rEff=   3.58       uni-biDir =    1         Ass-Norm =   22      H

  22  GLU    H      22  GLU   HA            2.33      # rEff=   2.91       uni-biDir =    1         Ass-Norm =   22      H

  22  GLU    H      22  GLU  HB2            2.33      # rEff=   2.92       uni-biDir =    1         Ass-Norm =   22      H

  22  GLU    H      22  GLU  HB3            2.17      # rEff=   2.71       uni-biDir =    1         Ass-Norm =   22      H

  22  GLU    H      22  GLU  HG2            2.75      # rEff=   3.43       uni-biDir =    1         Ass-Norm =   22      H

  23  VAL    H      17  GLU   HA            3.45      # rEff=   4.31       uni-biDir =    1         Ass-Norm =   23      H

  23  VAL    H      22  GLU   HA            1.93      # rEff=   2.42       uni-biDir =    1         Ass-Norm =   23      H

  23  VAL    H      22  GLU  HB3            2.56      # rEff=   3.20       uni-biDir =    1         Ass-Norm =   23      H

  23  VAL    H      22  GLU  HG2            2.39      # rEff=   2.99       uni-biDir =    1         Ass-Norm =   23      H

  23  VAL    H      23  VAL   HA            2.32      # rEff=   2.90       uni-biDir =    1         Ass-Norm =   23      H

  23  VAL    H      23  VAL   HB            2.59      # rEff=   3.24       uni-biDir =    1         Ass-Norm =   23      H

  23  VAL    H      23  VAL  QG1            1.95      # rEff=   3.20       uni-biDir =    1         Ass-Norm =   23      H

  23  VAL    H      46  VAL  QG2            2.52      # rEff=   4.13       uni-biDir =    1         Ass-Norm =   23      H

  23  VAL    H      51  GLY  HA3            3.35      # rEff=   4.19       uni-biDir =    1         Ass-Norm =   23      H

  23  VAL    H      52  PHE    H            2.94      # rEff=   3.74       uni-biDir =    2         Ass-Norm =   23      H

  24  THR    H      24  THR   HA            2.31      # rEff=   2.88       uni-biDir =    1         Ass-Norm =   24      H

  24  THR    H      24  THR   HB            1.78      # rEff=   2.22       uni-biDir =    1         Ass-Norm =   24      H

  25  MET    H      15  TYR  HB2            2.66      # rEff=   3.33       uni-biDir =    1         Ass-Norm =   25      H

  25  MET    H      16  GLN   HA            2.94      # rEff=   3.67       uni-biDir =    1         Ass-Norm =   25      H

  25  MET    H      17  GLU    H            3.48      # rEff=   4.34       uni-biDir =    1         Ass-Norm =   25      H

  25  MET    H      24  THR   HA            1.68      # rEff=   2.10       uni-biDir =    1         Ass-Norm =   25      H

  25  MET    H      24  THR  QG2            1.81      # rEff=   2.97       uni-biDir =    1         Ass-Norm =   25      H

  25  MET    H      25  MET   HA            2.19      # rEff=   2.74       uni-biDir =    1         Ass-Norm =   25      H

  25  MET    H      25  MET  HB2            2.82      # rEff=   3.52       uni-biDir =    1         Ass-Norm =   25      H

  25  MET    H      25  MET  HB3            2.40      # rEff=   2.99       uni-biDir =    1         Ass-Norm =   25      H

  25  MET    H      25  MET  HG3            2.68      # rEff=   3.35       uni-biDir =    1         Ass-Norm =   25      H

  26  LYS    H      26  LYS   HA            1.77      # rEff=   2.21       uni-biDir =    1         Ass-Norm =   26      H

  26  LYS    H      26  LYS  HB2            2.11      # rEff=   2.64       uni-biDir =    1         Ass-Norm =   26      H

  26  LYS    H      26  LYS  HG2            2.77      # rEff=   3.46       uni-biDir =    1         Ass-Norm =   26      H

  27  LYS    H      27  LYS   HA            2.19      # rEff=   2.74       uni-biDir =    1         Ass-Norm =   27      H

  28  GLY    H      11  ALA   QB            1.87      # rEff=   3.07       uni-biDir =    1         Ass-Norm =   28      H

  28  GLY    H      27  LYS   HA            1.68      # rEff=   2.10       uni-biDir =    1         Ass-Norm =   28      H

  28  GLY    H      27  LYS  HB2            3.28      # rEff=   4.10       uni-biDir =    1         Ass-Norm =   28      H

  28  GLY    H      27  LYS  HG2            2.47      # rEff=   3.09       uni-biDir =    1         Ass-Norm =   28      H

  28  GLY    H      28  GLY  HA2            2.00      # rEff=   2.50       uni-biDir =    1         Ass-Norm =   28      H

  28  GLY    H      28  GLY  HA3            2.32      # rEff=   2.89       uni-biDir =    1         Ass-Norm =   28      H

  28  GLY    H      29  ASP    H            2.09      # rEff=   2.61       uni-biDir =    1         Ass-Norm =   28      H

  28  GLY    H      61  LEU  QD1            2.57      # rEff=   4.22       uni-biDir =    1         Ass-Norm =   28      H

  29  ASP    H      29  ASP  HB2            2.50      # rEff=   3.12       uni-biDir =    1         Ass-Norm =   29      H

  31  LEU    H      31  LEU   HA            1.65      # rEff=   2.07       uni-biDir =    1         Ass-Norm =   31      H

  31  LEU    H      31  LEU  HB2            2.30      # rEff=   2.88       uni-biDir =    1         Ass-Norm =   31      H

  31  LEU    H      31  LEU  HB3            2.41      # rEff=   3.02       uni-biDir =    1         Ass-Norm =   31      H

  32  THR    H      31  LEU   HA            1.82      # rEff=   2.28       uni-biDir =    1         Ass-Norm =   32      H

  32  THR    H      31  LEU  HB2            2.70      # rEff=   3.38       uni-biDir =    1         Ass-Norm =   32      H

  32  THR    H      31  LEU  HB3            2.30      # rEff=   2.88       uni-biDir =    1         Ass-Norm =   32      H

  32  THR    H      32  THR   HA            2.32      # rEff=   2.90       uni-biDir =    1         Ass-Norm =   32      H

  32  THR    H      32  THR   HB            1.92      # rEff=   2.41       uni-biDir =    1         Ass-Norm =   32      H

  32  THR    H      44  VAL   HB            2.68      # rEff=   3.35       uni-biDir =    1         Ass-Norm =   32      H

  32  THR    H      44  VAL  QG1            2.41      # rEff=   4.44       uni-biDir =    1         Ass-Norm =   32      H

  32  THR    H      44  VAL  QG2            2.69      # rEff=   4.42       uni-biDir =    1         Ass-Norm =   32      H

  32  THR    H      45  GLU    H            2.32      # rEff=   2.91       uni-biDir =    1         Ass-Norm =   32      H

  32  THR    H      45  GLU  HB3            3.11      # rEff=   3.89       uni-biDir =    1         Ass-Norm =   32      H

  33  LEU    H       8  LEU   HA            2.29      # rEff=   2.86       uni-biDir =    1         Ass-Norm =   33      H

  33  LEU    H      32  THR   HA            1.70      # rEff=   2.12       uni-biDir =    1         Ass-Norm =   33      H

  33  LEU    H      32  THR   HB            3.12      # rEff=   3.90       uni-biDir =    1         Ass-Norm =   33      H

  33  LEU    H      33  LEU   HA            2.29      # rEff=   2.86       uni-biDir =    1         Ass-Norm =   33      H

  33  LEU    H      33  LEU  HB2            2.24      # rEff=   3.55       uni-biDir =    1         Ass-Norm =   33      H

  33  LEU    H      33  LEU  HB3            2.03      # rEff=   2.53       uni-biDir =    1         Ass-Norm =   33      H

  33  LEU    H      33  LEU   HG            1.88      # rEff=   2.35       uni-biDir =    1         Ass-Norm =   33      H

  33  LEU    H      44  VAL  QG1            2.39      # rEff=   3.92       uni-biDir =    1         Ass-Norm =   33      H

  34  LEU    H      33  LEU   HA            1.72      # rEff=   2.15       uni-biDir =    1         Ass-Norm =   34      H

  34  LEU    H      33  LEU  QD1            1.99      # rEff=   3.27       uni-biDir =    1         Ass-Norm =   34      H

  34  LEU    H      34  LEU   HA            2.23      # rEff=   2.79       uni-biDir =    1         Ass-Norm =   34      H

  34  LEU    H      34  LEU  HB2            2.10      # rEff=   2.62       uni-biDir =    1         Ass-Norm =   34      H

  34  LEU    H      34  LEU  HB3            2.12      # rEff=   2.65       uni-biDir =    1         Ass-Norm =   34      H

  34  LEU    H      35  ASN    H            2.35      # rEff=   2.35       uni-biDir =    2         Ass-Norm =   34      H

  34  LEU    H      44  VAL   HA            1.95      # rEff=   2.44       uni-biDir =    1         Ass-Norm =   34      H

  34  LEU    H      44  VAL  QG2            2.44      # rEff=   4.00       uni-biDir =    1         Ass-Norm =   34      H

  35  ASN    H      33  LEU  QD1            2.10      # rEff=   3.44       uni-biDir =    1         Ass-Norm =   35      H

  35  ASN    H      34  LEU  HB2            2.27      # rEff=   2.83       uni-biDir =    1         Ass-Norm =   35      H

  35  ASN    H      35  ASN   HA            2.35      # rEff=   2.94       uni-biDir =    1         Ass-Norm =   35      H

  35  ASN    H      35  ASN  HB2            2.67      # rEff=   3.34       uni-biDir =    1         Ass-Norm =   35      H

  35  ASN    H      35  ASN  HB3            2.56      # rEff=   3.19       uni-biDir =    1         Ass-Norm =   35      H

  35  ASN HD21      35  ASN  HB2            2.96      # rEff=   3.70       uni-biDir =    1         Ass-Norm =   35   HD21

  35  ASN HD21      35  ASN HD22            1.81      # rEff=   1.81       uni-biDir =    2         Ass-Norm =   35   HD21

  35  ASN HD22      35  ASN  HB2            2.54      # rEff=   3.18       uni-biDir =    1         Ass-Norm =   35   HD22

  35  ASN HD22      35  ASN  HB3            3.01      # rEff=   3.77       uni-biDir =    1         Ass-Norm =   35   HD22

  35  ASN    H      43  LYS  HB3            2.35      # rEff=   2.93       uni-biDir =    1         Ass-Norm =   35      H

  35  ASN    H      43  LYS  HG2            3.50      # rEff=   4.37       uni-biDir =    1         Ass-Norm =   35      H

  35  ASN    H      44  VAL   HA            3.49      # rEff=   4.36       uni-biDir =    1         Ass-Norm =   35      H

  35  ASN    H      44  VAL  QG2            3.12      # rEff=   5.12       uni-biDir =    1         Ass-Norm =   35      H

  36  SER    H      33  LEU  QD1            2.77      # rEff=   4.54       uni-biDir =    1         Ass-Norm =   36      H

  36  SER    H      35  ASN   HA            1.71      # rEff=   2.14       uni-biDir =    1         Ass-Norm =   36      H

  36  SER    H      36  SER   HA            2.26      # rEff=   2.82       uni-biDir =    1         Ass-Norm =   36      H

  36  SER    H      36  SER  HB2            2.51      # rEff=   3.14       uni-biDir =    1         Ass-Norm =   36      H

  36  SER    H      36  SER  HB3            2.56      # rEff=   3.20       uni-biDir =    1         Ass-Norm =   36      H

  36  SER    H      37  THR    H            2.53      # rEff=   2.53       uni-biDir =    2         Ass-Norm =   36      H

  37  THR    H      35  ASN HD21            3.22      # rEff=   4.03       uni-biDir =    1         Ass-Norm =   37      H

  37  THR    H      37  THR   HA            2.10      # rEff=   2.62       uni-biDir =    1         Ass-Norm =   37      H

  37  THR    H      37  THR   HB            2.25      # rEff=   2.81       uni-biDir =    1         Ass-Norm =   37      H

  37  THR    H      38  ASN    H            2.16      # rEff=   2.70       uni-biDir =    1         Ass-Norm =   37      H

  38  ASN    H      36  SER   HA            2.39      # rEff=   2.99       uni-biDir =    1         Ass-Norm =   38      H

  38  ASN    H      37  THR   HB            2.71      # rEff=   3.38       uni-biDir =    1         Ass-Norm =   38      H

  38  ASN    H      38  ASN   HA            2.31      # rEff=   2.88       uni-biDir =    1         Ass-Norm =   38      H

  38  ASN    H      38  ASN  HB2            2.14      # rEff=   2.67       uni-biDir =    1         Ass-Norm =   38      H

  38  ASN    H      38  ASN  HB3            2.08      # rEff=   2.59       uni-biDir =    1         Ass-Norm =   38      H

  38  ASN HD22      38  ASN  HB2            2.44      # rEff=   3.05       uni-biDir =    1         Ass-Norm =   38   HD22

  38  ASN HD22      38  ASN  HB3            2.91      # rEff=   3.63       uni-biDir =    1         Ass-Norm =   38   HD22

  38  ASN    H      52  PHE   QE            3.26      # rEff=   5.40       uni-biDir =    1         Ass-Norm =   38      H

  39  LYS    H      38  ASN   HA            1.98      # rEff=   2.48       uni-biDir =    1         Ass-Norm =   39      H

  39  LYS    H      38  ASN  HB3            3.42      # rEff=   4.27       uni-biDir =    1         Ass-Norm =   39      H

  39  LYS    H      39  LYS   HA            2.41      # rEff=   3.02       uni-biDir =    1         Ass-Norm =   39      H

  39  LYS    H      39  LYS  HB2            2.59      # rEff=   3.24       uni-biDir =    1         Ass-Norm =   39      H

  39  LYS    H      39  LYS  HG2            3.09      # rEff=   3.87       uni-biDir =    1         Ass-Norm =   39      H

  39  LYS    H      40  ASP    H            2.94      # rEff=   2.94       uni-biDir =    2         Ass-Norm =   39      H

  40  ASP    H      38  ASN   HA            3.47      # rEff=   4.34       uni-biDir =    1         Ass-Norm =   40      H

  40  ASP    H      38  ASN  HB3            3.33      # rEff=   4.16       uni-biDir =    1         Ass-Norm =   40      H

  40  ASP    H      39  LYS  HB2            2.99      # rEff=   3.74       uni-biDir =    1         Ass-Norm =   40      H

  40  ASP    H      39  LYS  HG2            2.91      # rEff=   3.64       uni-biDir =    1         Ass-Norm =   40      H

  40  ASP    H      40  ASP   HA            2.45      # rEff=   3.07       uni-biDir =    1         Ass-Norm =   40      H

  40  ASP    H      40  ASP  HB2            2.59      # rEff=   3.48       uni-biDir =    1         Ass-Norm =   40      H

  40  ASP    H      40  ASP  HB3            2.29      # rEff=   2.86       uni-biDir =    1         Ass-Norm =   40      H

  40  ASP    H      55  ALA   QB            2.96      # rEff=   4.86       uni-biDir =    1         Ass-Norm =   40      H

  41  TRP    H      40  ASP   HA            2.80      # rEff=   3.50       uni-biDir =    1         Ass-Norm =   41      H

  41  TRP    H      40  ASP  HB2            2.62      # rEff=   3.59       uni-biDir =    1         Ass-Norm =   41      H

  41  TRP    H      40  ASP  HB3            2.50      # rEff=   3.12       uni-biDir =    1         Ass-Norm =   41      H

  41  TRP    H      41  TRP   HA            2.38      # rEff=   2.98       uni-biDir =    1         Ass-Norm =   41      H

  41  TRP    H      41  TRP  HB2            2.23      # rEff=   2.79       uni-biDir =    1         Ass-Norm =   41      H

  41  TRP    H      41  TRP  HD1            2.22      # rEff=   3.12       uni-biDir =    1         Ass-Norm =   41      H

  41  TRP  HE1      41  TRP  HZ2            2.25      # rEff=   2.81       uni-biDir =    1         Ass-Norm =   41    HE1

  41  TRP  HE1      41  TRP  HD1            1.98      # rEff=   2.47       uni-biDir =    1         Ass-Norm =   41    HE1

  41  TRP    H      55  ALA    H            2.80      # rEff=   3.49       uni-biDir =    1         Ass-Norm =   41      H

  41  TRP    H      55  ALA   QB            2.53      # rEff=   4.15       uni-biDir =    1         Ass-Norm =   41      H

  42  TRP    H      33  LEU  QD1            2.40      # rEff=   3.94       uni-biDir =    1         Ass-Norm =   42      H

  42  TRP  HE1      36  SER   HA            2.63      # rEff=   3.29       uni-biDir =    1         Ass-Norm =   42    HE1

  42  TRP  HE1      36  SER  HB3            2.54      # rEff=   3.17       uni-biDir =    1         Ass-Norm =   42    HE1

  42  TRP  HE1      39  LYS   HA            2.25      # rEff=   2.81       uni-biDir =    1         Ass-Norm =   42    HE1

  42  TRP    H      41  TRP   HA            1.70      # rEff=   2.12       uni-biDir =    1         Ass-Norm =   42      H

  42  TRP    H      41  TRP  HE3            2.32      # rEff=   3.25       uni-biDir =    1         Ass-Norm =   42      H

  42  TRP    H      42  TRP   HA            2.29      # rEff=   2.86       uni-biDir =    1         Ass-Norm =   42      H

  42  TRP    H      42  TRP  HB3            2.33      # rEff=   2.91       uni-biDir =    1         Ass-Norm =   42      H

  42  TRP  HE1      42  TRP   HA            3.64      # rEff=   4.55       uni-biDir =    1         Ass-Norm =   42    HE1

  42  TRP  HE1      42  TRP  HH2            2.03      # rEff=   2.54       uni-biDir =    1         Ass-Norm =   42    HE1

  42  TRP    H      53  VAL    H            2.14      # rEff=   2.68       uni-biDir =    1         Ass-Norm =   42      H

  42  TRP    H      54  PRO   HA            2.92      # rEff=   3.65       uni-biDir =    1         Ass-Norm =   42      H

  42  TRP    H      55  ALA    H            3.49      # rEff=   3.49       uni-biDir =    2         Ass-Norm =   42      H

  42  TRP    H      55  ALA   HA            2.67      # rEff=   3.34       uni-biDir =    1         Ass-Norm =   42      H

  42  TRP    H      55  ALA   QB            2.49      # rEff=   4.08       uni-biDir =    1         Ass-Norm =   42      H

  42  TRP  HE1      55  ALA   QB            1.99      # rEff=   3.27       uni-biDir =    1         Ass-Norm =   42    HE1

  43  LYS    H      33  LEU  QD1            2.35      # rEff=   3.85       uni-biDir =    1         Ass-Norm =   43      H

  43  LYS    H      34  LEU  QD1            3.26      # rEff=   5.36       uni-biDir =    1         Ass-Norm =   43      H

  43  LYS    H      35  ASN    H            2.26      # rEff=   2.82       uni-biDir =    1         Ass-Norm =   43      H

  43  LYS    H      35  ASN  HB3            2.27      # rEff=   3.34       uni-biDir =    1         Ass-Norm =   43      H

  43  LYS    H      41  TRP  HB2            2.74      # rEff=   3.43       uni-biDir =    1         Ass-Norm =   43      H

  43  LYS    H      42  TRP   HA            1.75      # rEff=   2.19       uni-biDir =    1         Ass-Norm =   43      H

  43  LYS    H      42  TRP  HB3            2.48      # rEff=   3.10       uni-biDir =    1         Ass-Norm =   43      H

  43  LYS    H      43  LYS   HA            2.31      # rEff=   2.89       uni-biDir =    1         Ass-Norm =   43      H

  43  LYS    H      43  LYS  HB2            2.12      # rEff=   2.65       uni-biDir =    1         Ass-Norm =   43      H

  43  LYS    H      43  LYS  HB3            2.10      # rEff=   2.63       uni-biDir =    1         Ass-Norm =   43      H

  43  LYS    H      44  VAL  QG2            2.69      # rEff=   4.41       uni-biDir =    1         Ass-Norm =   43      H

  44  VAL    H      34  LEU  QD1            2.38      # rEff=   3.91       uni-biDir =    1         Ass-Norm =   44      H

  44  VAL    H      43  LYS   HA            1.73      # rEff=   2.17       uni-biDir =    1         Ass-Norm =   44      H

  44  VAL    H      43  LYS  HB2            2.85      # rEff=   3.56       uni-biDir =    1         Ass-Norm =   44      H

  44  VAL    H      43  LYS  HG2            2.42      # rEff=   3.03       uni-biDir =    1         Ass-Norm =   44      H

  44  VAL    H      44  VAL   HA            2.28      # rEff=   2.85       uni-biDir =    1         Ass-Norm =   44      H

  44  VAL    H      44  VAL   HB            3.02      # rEff=   3.77       uni-biDir =    1         Ass-Norm =   44      H

  44  VAL    H      44  VAL  QG1            1.67      # rEff=   2.74       uni-biDir =    1         Ass-Norm =   44      H

  44  VAL    H      51  GLY    H            2.83      # rEff=   2.83       uni-biDir =    2         Ass-Norm =   44      H

  44  VAL    H      52  PHE   HA            2.68      # rEff=   3.35       uni-biDir =    1         Ass-Norm =   44      H

  45  GLU    H      32  THR   HB            2.44      # rEff=   3.05       uni-biDir =    1         Ass-Norm =   45      H

  45  GLU    H      33  LEU   HA            3.31      # rEff=   4.14       uni-biDir =    1         Ass-Norm =   45      H

  45  GLU    H      34  LEU   HG            2.65      # rEff=   3.31       uni-biDir =    1         Ass-Norm =   45      H

  45  GLU    H      44  VAL   HB            1.88      # rEff=   2.35       uni-biDir =    1         Ass-Norm =   45      H

  45  GLU    H      44  VAL  QG1            2.42      # rEff=   3.97       uni-biDir =    1         Ass-Norm =   45      H

  45  GLU    H      45  GLU   HA            1.84      # rEff=   2.30       uni-biDir =    1         Ass-Norm =   45      H

  45  GLU    H      45  GLU  HB2            2.26      # rEff=   2.82       uni-biDir =    1         Ass-Norm =   45      H

  46  VAL    H      23  VAL   HB            3.70      # rEff=   4.62       uni-biDir =    1         Ass-Norm =   46      H

  46  VAL    H      23  VAL  QG2            2.66      # rEff=   4.37       uni-biDir =    1         Ass-Norm =   46      H

  46  VAL    H      45  GLU   HA            1.72      # rEff=   2.15       uni-biDir =    1         Ass-Norm =   46      H

  46  VAL    H      45  GLU  HG3            2.46      # rEff=   3.08       uni-biDir =    1         Ass-Norm =   46      H

  46  VAL    H      45  GLU   QG            2.23      # rEff=   3.29       uni-biDir =    1         Ass-Norm =   46      H

  46  VAL    H      46  VAL   HA            2.24      # rEff=   2.80       uni-biDir =    1         Ass-Norm =   46      H

  46  VAL    H      46  VAL   HB            2.54      # rEff=   3.17       uni-biDir =    1         Ass-Norm =   46      H

  46  VAL    H      46  VAL  QG1            2.02      # rEff=   3.32       uni-biDir =    1         Ass-Norm =   46      H

  46  VAL    H      49  ARG    H            2.90      # rEff=   3.15       uni-biDir =    2         Ass-Norm =   46      H

  46  VAL    H      49  ARG  HB2            2.72      # rEff=   3.40       uni-biDir =    1         Ass-Norm =   46      H

  47  ASN    H      46  VAL   HA            1.75      # rEff=   2.19       uni-biDir =    1         Ass-Norm =   47      H

  47  ASN    H      46  VAL   HB            3.00      # rEff=   3.75       uni-biDir =    1         Ass-Norm =   47      H

  47  ASN    H      46  VAL  QG2            2.33      # rEff=   3.82       uni-biDir =    1         Ass-Norm =   47      H

  47  ASN HD21      46  VAL  QG1            3.38      # rEff=   5.55       uni-biDir =    1         Ass-Norm =   47   HD21

  47  ASN HD22      46  VAL  QG1            3.34      # rEff=   5.47       uni-biDir =    1         Ass-Norm =   47   HD22

  47  ASN    H      47  ASN   HA            1.80      # rEff=   2.24       uni-biDir =    1         Ass-Norm =   47      H

  47  ASN    H      47  ASN  HB2            2.83      # rEff=   3.54       uni-biDir =    1         Ass-Norm =   47      H

  47  ASN    H      47  ASN  HB3            3.01      # rEff=   3.77       uni-biDir =    1         Ass-Norm =   47      H

  47  ASN HD21      47  ASN  HB2            2.26      # rEff=   4.32       uni-biDir =    1         Ass-Norm =   47   HD21

  47  ASN HD21      47  ASN  HB3            3.55      # rEff=   4.82       uni-biDir =    1         Ass-Norm =   47   HD21

  47  ASN HD21      47  ASN HD22            1.91      # rEff=   1.91       uni-biDir =    2         Ass-Norm =   47   HD21

  47  ASN HD22      47  ASN  HB2            2.84      # rEff=   3.55       uni-biDir =    1         Ass-Norm =   47   HD22

  47  ASN HD22      47  ASN  HB3            3.54      # rEff=   4.42       uni-biDir =    1         Ass-Norm =   47   HD22

  47  ASN    H      48  ASP    H            2.92      # rEff=   3.22       uni-biDir =    2         Ass-Norm =   47      H

  48  ASP    H      45  GLU  HG3            3.08      # rEff=   3.84       uni-biDir =    1         Ass-Norm =   48      H

  48  ASP    H      46  VAL  QG1            3.29      # rEff=   5.72       uni-biDir =    1         Ass-Norm =   48      H

  48  ASP    H      47  ASN   HA            2.32      # rEff=   2.90       uni-biDir =    1         Ass-Norm =   48      H

  48  ASP    H      47  ASN  HB2            2.12      # rEff=   3.03       uni-biDir =    1         Ass-Norm =   48      H

  48  ASP    H      48  ASP   HA            1.92      # rEff=   2.40       uni-biDir =    1         Ass-Norm =   48      H

  48  ASP    H      49  ARG    H            2.17      # rEff=   2.71       uni-biDir =    1         Ass-Norm =   48      H

  49  ARG    H      45  GLU   HA            3.92      # rEff=   4.90       uni-biDir =    1         Ass-Norm =   49      H

  49  ARG    H      46  VAL  QG1            3.21      # rEff=   5.26       uni-biDir =    1         Ass-Norm =   49      H

  49  ARG    H      47  ASN  HB3            3.86      # rEff=   4.82       uni-biDir =    1         Ass-Norm =   49      H

  49  ARG    H      49  ARG  HB2            2.29      # rEff=   2.86       uni-biDir =    1         Ass-Norm =   49      H

  49  ARG    H      49  ARG  HG2            2.76      # rEff=   3.45       uni-biDir =    1         Ass-Norm =   49      H

  50  GLN HE21       1  MET  HB2            3.05      # rEff=   3.82       uni-biDir =    1         Ass-Norm =   50   HE21

  50  GLN HE22       1  MET  HB2            2.73      # rEff=   3.41       uni-biDir =    1         Ass-Norm =   50   HE22

  50  GLN    H      23  VAL  QG2            2.94      # rEff=   4.83       uni-biDir =    1         Ass-Norm =   50      H

  50  GLN HE21      23  VAL  QG2            2.90      # rEff=   4.75       uni-biDir =    1         Ass-Norm =   50   HE21

  50  GLN HE22      23  VAL  QG2            2.94      # rEff=   4.82       uni-biDir =    1         Ass-Norm =   50   HE22

  50  GLN    H      49  ARG  HG2            3.00      # rEff=   3.75       uni-biDir =    1         Ass-Norm =   50      H

  50  GLN    H      49  ARG  HD2            3.87      # rEff=   4.84       uni-biDir =    1         Ass-Norm =   50      H

  50  GLN    H      50  GLN   HA            2.38      # rEff=   2.98       uni-biDir =    1         Ass-Norm =   50      H

  50  GLN    H      50  GLN  HB3            2.19      # rEff=   2.74       uni-biDir =    1         Ass-Norm =   50      H

  50  GLN HE21      50  GLN  HG3            3.11      # rEff=   3.89       uni-biDir =    1         Ass-Norm =   50   HE21

  50  GLN HE21      50  GLN HE22            1.80      # rEff=   1.80       uni-biDir =    2         Ass-Norm =   50   HE21

  50  GLN HE22      50  GLN  HG3            2.81      # rEff=   3.51       uni-biDir =    1         Ass-Norm =   50   HE22

  51  GLY    H      23  VAL  QG2            2.12      # rEff=   3.48       uni-biDir =    1         Ass-Norm =   51      H

  51  GLY    H      33  LEU   HA            3.43      # rEff=   4.28       uni-biDir =    1         Ass-Norm =   51      H

  51  GLY    H      34  LEU  QD1            2.82      # rEff=   4.63       uni-biDir =    1         Ass-Norm =   51      H

  51  GLY    H      43  LYS  HG2            2.76      # rEff=   3.45       uni-biDir =    1         Ass-Norm =   51      H

  51  GLY    H      44  VAL   HA            2.62      # rEff=   3.27       uni-biDir =    1         Ass-Norm =   51      H

  51  GLY    H      44  VAL   HB            3.25      # rEff=   4.06       uni-biDir =    1         Ass-Norm =   51      H

  51  GLY    H      50  GLN   HA            1.77      # rEff=   2.21       uni-biDir =    1         Ass-Norm =   51      H

  51  GLY    H      50  GLN  HB3            2.74      # rEff=   3.43       uni-biDir =    1         Ass-Norm =   51      H

  51  GLY    H      50  GLN  HG3            3.89      # rEff=   4.87       uni-biDir =    1         Ass-Norm =   51      H

  51  GLY    H      51  GLY  HA2            2.16      # rEff=   2.70       uni-biDir =    1         Ass-Norm =   51      H

  52  PHE    H      22  GLU   HA            1.74      # rEff=   2.18       uni-biDir =    1         Ass-Norm =   52      H

  52  PHE    H      23  VAL  QG1            2.62      # rEff=   4.30       uni-biDir =    1         Ass-Norm =   52      H

  52  PHE    H      51  GLY  HA2            1.90      # rEff=   2.37       uni-biDir =    1         Ass-Norm =   52      H

  52  PHE    H      52  PHE   HA            2.31      # rEff=   2.89       uni-biDir =    1         Ass-Norm =   52      H

  52  PHE    H      52  PHE  HB2            2.14      # rEff=   2.68       uni-biDir =    1         Ass-Norm =   52      H

  52  PHE    H      52  PHE  HB3            2.64      # rEff=   3.29       uni-biDir =    1         Ass-Norm =   52      H

  52  PHE    H      52  PHE   QD            1.97      # rEff=   3.26       uni-biDir =    1         Ass-Norm =   52      H

  53  VAL    H      23  VAL    H            3.52      # rEff=   4.40       uni-biDir =    1         Ass-Norm =   53      H

  53  VAL    H      23  VAL   HB            3.15      # rEff=   3.93       uni-biDir =    1         Ass-Norm =   53      H

  53  VAL    H      23  VAL  QG2            1.90      # rEff=   3.11       uni-biDir =    1         Ass-Norm =   53      H

  53  VAL    H      41  TRP  HE3            2.29      # rEff=   3.22       uni-biDir =    1         Ass-Norm =   53      H

  53  VAL    H      42  TRP  HB2            3.24      # rEff=   4.05       uni-biDir =    1         Ass-Norm =   53      H

  53  VAL    H      42  TRP  HB3            3.14      # rEff=   3.93       uni-biDir =    1         Ass-Norm =   53      H

  53  VAL    H      43  LYS   HA            2.98      # rEff=   3.72       uni-biDir =    1         Ass-Norm =   53      H

  53  VAL    H      43  LYS  HB2            2.67      # rEff=   3.34       uni-biDir =    1         Ass-Norm =   53      H

  53  VAL    H      52  PHE   HA            1.73      # rEff=   2.16       uni-biDir =    1         Ass-Norm =   53      H

  53  VAL    H      52  PHE  HB2            2.97      # rEff=   3.71       uni-biDir =    1         Ass-Norm =   53      H

  53  VAL    H      52  PHE  HB3            2.52      # rEff=   3.15       uni-biDir =    1         Ass-Norm =   53      H

  53  VAL    H      53  VAL   HA            2.32      # rEff=   2.90       uni-biDir =    1         Ass-Norm =   53      H

  53  VAL    H      54  PRO  HB2            2.82      # rEff=   3.52       uni-biDir =    1         Ass-Norm =   53      H

  55  ALA    H      40  ASP   HA            2.77      # rEff=   3.46       uni-biDir =    1         Ass-Norm =   55      H

  55  ALA    H      41  TRP   HA            2.18      # rEff=   2.73       uni-biDir =    1         Ass-Norm =   55      H

  55  ALA    H      54  PRO   HA            1.72      # rEff=   2.15       uni-biDir =    1         Ass-Norm =   55      H

  55  ALA    H      54  PRO  HB2            3.20      # rEff=   4.00       uni-biDir =    1         Ass-Norm =   55      H

  55  ALA    H      54  PRO  HB3            3.02      # rEff=   3.78       uni-biDir =    1         Ass-Norm =   55      H

  55  ALA    H      55  ALA   HA            2.13      # rEff=   2.66       uni-biDir =    1         Ass-Norm =   55      H

  55  ALA    H      55  ALA   QB            1.59      # rEff=   2.61       uni-biDir =    1         Ass-Norm =   55      H

  55  ALA    H      56  ALA    H            2.20      # rEff=   2.74       uni-biDir =    1         Ass-Norm =   55      H

  56  ALA    H      54  PRO   HA            3.23      # rEff=   4.03       uni-biDir =    1         Ass-Norm =   56      H

  56  ALA    H      54  PRO  HB2            2.94      # rEff=   3.67       uni-biDir =    1         Ass-Norm =   56      H

  56  ALA    H      55  ALA   HA            2.78      # rEff=   3.47       uni-biDir =    1         Ass-Norm =   56      H

  56  ALA    H      55  ALA   QB            2.01      # rEff=   3.30       uni-biDir =    1         Ass-Norm =   56      H

  56  ALA    H      56  ALA   HA            2.29      # rEff=   2.86       uni-biDir =    1         Ass-Norm =   56      H

  56  ALA    H      56  ALA   QB            1.70      # rEff=   2.78       uni-biDir =    1         Ass-Norm =   56      H

  57  TYR    H      25  MET   QE            2.92      # rEff=   4.79       uni-biDir =    1         Ass-Norm =   57      H

  57  TYR    H      55  ALA   HA            2.71      # rEff=   3.39       uni-biDir =    1         Ass-Norm =   57      H

  57  TYR    H      56  ALA   HA            2.59      # rEff=   3.24       uni-biDir =    1         Ass-Norm =   57      H

  57  TYR    H      57  TYR  HB2            2.16      # rEff=   2.70       uni-biDir =    1         Ass-Norm =   57      H

  57  TYR    H      57  TYR  HB3            2.58      # rEff=   3.22       uni-biDir =    1         Ass-Norm =   57      H

  57  TYR    H      57  TYR   QD            2.29      # rEff=   3.79       uni-biDir =    1         Ass-Norm =   57      H

  58  VAL    H      55  ALA   HA            2.97      # rEff=   3.72       uni-biDir =    1         Ass-Norm =   58      H

  58  VAL    H      56  ALA   HA            2.75      # rEff=   3.44       uni-biDir =    1         Ass-Norm =   58      H

  58  VAL    H      57  TYR    H            2.02      # rEff=   2.52       uni-biDir =    1         Ass-Norm =   58      H

  58  VAL    H      57  TYR   HA            2.67      # rEff=   3.34       uni-biDir =    1         Ass-Norm =   58      H

  58  VAL    H      57  TYR  HB2            3.19      # rEff=   3.99       uni-biDir =    1         Ass-Norm =   58      H

  58  VAL    H      58  VAL   HA            2.29      # rEff=   2.86       uni-biDir =    1         Ass-Norm =   58      H

  58  VAL    H      58  VAL   HB            2.80      # rEff=   3.50       uni-biDir =    1         Ass-Norm =   58      H

  58  VAL    H      58  VAL  QG1            1.82      # rEff=   2.98       uni-biDir =    1         Ass-Norm =   58      H

  59  LYS    H       9  VAL  QG1            3.12      # rEff=   5.12       uni-biDir =    1         Ass-Norm =   59      H

  59  LYS    H      10  LEU    H            2.17      # rEff=   2.71       uni-biDir =    1         Ass-Norm =   59      H

  59  LYS    H      10  LEU  HB2            2.46      # rEff=   3.07       uni-biDir =    1         Ass-Norm =   59      H

  59  LYS    H      58  VAL   HA            1.82      # rEff=   2.27       uni-biDir =    1         Ass-Norm =   59      H

  59  LYS    H      59  LYS  HB2            2.03      # rEff=   2.54       uni-biDir =    1         Ass-Norm =   59      H

  60  LYS    H       9  VAL  QG1            2.88      # rEff=   4.72       uni-biDir =    1         Ass-Norm =   60      H

  60  LYS    H      58  VAL  QG1            2.96      # rEff=   4.86       uni-biDir =    1         Ass-Norm =   60      H

  60  LYS    H      59  LYS   HA            1.80      # rEff=   2.26       uni-biDir =    1         Ass-Norm =   60      H

  60  LYS    H      60  LYS   HA            2.33      # rEff=   2.92       uni-biDir =    1         Ass-Norm =   60      H

  60  LYS    H      60  LYS  HB2            2.15      # rEff=   2.68       uni-biDir =    1         Ass-Norm =   60      H

  60  LYS    H      60  LYS  HB3            2.49      # rEff=   3.11       uni-biDir =    1         Ass-Norm =   60      H

  60  LYS    H      60  LYS  HG2            2.57      # rEff=   3.21       uni-biDir =    1         Ass-Norm =   60      H

  61  LEU    H       9  VAL   HA            2.03      # rEff=   2.54       uni-biDir =    1         Ass-Norm =   61      H

  61  LEU    H       9  VAL  QG1            2.53      # rEff=   4.15       uni-biDir =    1         Ass-Norm =   61      H

  61  LEU    H      60  LYS  HB3            2.70      # rEff=   3.38       uni-biDir =    1         Ass-Norm =   61      H

  61  LEU    H      60  LYS  HG2            3.18      # rEff=   3.97       uni-biDir =    1         Ass-Norm =   61      H

  61  LEU    H      61  LEU   HA            1.65      # rEff=   2.07       uni-biDir =    1         Ass-Norm =   61      H

  61  LEU    H      61  LEU  HB2            2.05      # rEff=   2.56       uni-biDir =    1         Ass-Norm =   61      H

  61  LEU    H      61  LEU  QD1            2.52      # rEff=   4.14       uni-biDir =    1         Ass-Norm =   61      H

  61  LEU    H      62  ASP    H            2.10      # rEff=   2.63       uni-biDir =    1         Ass-Norm =   61      H

  62  ASP    H      62  ASP  HB2            2.56      # rEff=   3.21       uni-biDir =    1         Ass-Norm =   62      H

  6  LYS  HG3      33  LEU  QD1            2.38      # rEff=   3.90       uni-biDir =    1         Ass-Norm =    6    HG3

   6  LYS  HD3      42  TRP  HB3            3.26      # rEff=   4.08       uni-biDir =    1         Ass-Norm =    6    HD3

   6  LYS  HD3      42  TRP  HB3            3.37      # rEff=   4.21       uni-biDir =    1         Ass-Norm =    6    HD3

   8  LEU  HB2       8  LEU   HA            2.12      # rEff=   2.65       uni-biDir =    1         Ass-Norm =    8    HB2

   9  VAL   HA       9  VAL  QG1            2.38      # rEff=   3.12       uni-biDir =    2         Ass-Norm =    9     HA

   9  VAL  QG1      42  TRP  HE3            2.74      # rEff=   3.60       uni-biDir =    2         Ass-Norm =    9    QG1

   9  VAL   HA      60  LYS   HA            2.13      # rEff=   2.66       uni-biDir =    1         Ass-Norm =    9     HA

  10  LEU  HB2      10  LEU   HA            2.13      # rEff=   2.66       uni-biDir =    1         Ass-Norm =   10    HB2

  10  LEU  QD1      10  LEU   HA            2.24      # rEff=   3.67       uni-biDir =    1         Ass-Norm =   10    QD1

  10  LEU  QD1      28  GLY  HA2            2.44      # rEff=   4.00       uni-biDir =    1         Ass-Norm =   10    QD1

  11  ALA   HA      58  VAL   HA            2.76      # rEff=   2.76       uni-biDir =    2         Ass-Norm =   11     HA

  12  LEU  HB2      10  LEU  HB2            2.60      # rEff=   3.25       uni-biDir =    1         Ass-Norm =   12    HB2

  12  LEU   HA      12  LEU  HB2            2.61      # rEff=   2.61       uni-biDir =    2         Ass-Norm =   12     HA

  12  LEU   HA      12  LEU  HB3            2.49      # rEff=   3.11       uni-biDir =    1         Ass-Norm =   12     HA

  13  TYR  HB3      11  ALA   QB            2.99      # rEff=   4.90       uni-biDir =    1         Ass-Norm =   13    HB3

#  13  TYR  HB3      13  TYR  HB2            2.44      # rEff=   3.05       uni-biDir =    1         Ass-Norm =   13    HB3

  13  TYR   QD      15  TYR   QE            2.09      # rEff=   2.92       uni-biDir =    2         Ass-Norm =   13     QD

  13  TYR  HB2      57  TYR   QD            1.95      # rEff=   3.24       uni-biDir =    1         Ass-Norm =   13    HB2

  13  TYR   QE      57  TYR   HA            2.37      # rEff=   3.50       uni-biDir =    1         Ass-Norm =   13     QE

  15  TYR  HB2      13  TYR   QD            2.59      # rEff=   4.29       uni-biDir =    1         Ass-Norm =   15    HB2

  15  TYR  HB2      15  TYR   HA            2.93      # rEff=   3.67       uni-biDir =    1         Ass-Norm =   15    HB2

  15  TYR  HB2      15  TYR   QE            2.48      # rEff=   4.12       uni-biDir =    1         Ass-Norm =   15    HB2

  15  TYR  HB2      15  TYR   QE            2.51      # rEff=   4.16       uni-biDir =    1         Ass-Norm =   15    HB2

  15  TYR   QE      17  GLU   HA            2.69      # rEff=   3.17       uni-biDir =    2         Ass-Norm =   15     QE

  15  TYR  HB2      25  MET  HG2            2.86      # rEff=   3.58       uni-biDir =    1         Ass-Norm =   15    HB2

  15  TYR  HB2      25  MET  HG3            2.86      # rEff=   3.57       uni-biDir =    1         Ass-Norm =   15    HB2

  16  GLN   HA      15  TYR   QB            2.17      # rEff=   3.20       uni-biDir =    1         Ass-Norm =   16     HA

  17  GLU  HB2      17  GLU   HA            2.31      # rEff=   2.89       uni-biDir =    1         Ass-Norm =   17    HB2

  17  GLU   HA      22  GLU  HG2            3.13      # rEff=   3.91       uni-biDir =    1         Ass-Norm =   17     HA

  18  LYS  HD3      17  GLU   HA            4.02      # rEff=   5.02       uni-biDir =    1         Ass-Norm =   18    HD3

  18  LYS  HB2      18  LYS   HA            2.59      # rEff=   3.23       uni-biDir =    1         Ass-Norm =   18    HB2

  18  LYS  HG3      18  LYS  HB2            2.51      # rEff=   3.13       uni-biDir =    1         Ass-Norm =   18    HG3

  19  SER  HB2      19  SER   HA            2.59      # rEff=   3.23       uni-biDir =    1         Ass-Norm =   19    HB2

#  19  SER  HB2      19  SER  HB3            2.20      # rEff=   2.20       uni-biDir =    2         Ass-Norm =   19    HB2

  19  SER  HB3      19  SER   HA            2.27      # rEff=   2.84       uni-biDir =    1         Ass-Norm =   19    HB3

  19  SER  HB3      20  PRO  HD2            2.48      # rEff=   2.98       uni-biDir =    2         Ass-Norm =   19    HB3

  20  PRO  HB2      19  SER  HB3            3.14      # rEff=   3.92       uni-biDir =    1         Ass-Norm =   20    HB2

  20  PRO  HD2      19  SER   HA            1.98      # rEff=   2.48       uni-biDir =    1         Ass-Norm =   20    HD2

  20  PRO  HB2      20  PRO  HD2            3.22      # rEff=   4.03       uni-biDir =    1         Ass-Norm =   20    HB2

  20  PRO  HG3      20  PRO  HB3            2.43      # rEff=   3.03       uni-biDir =    1         Ass-Norm =   20    HG3

  20  PRO  HG3      20  PRO  HD2            2.29      # rEff=   2.87       uni-biDir =    1         Ass-Norm =   20    HG3

  20  PRO  HD2      20  PRO   QG            1.97      # rEff=   2.92       uni-biDir =    1         Ass-Norm =   20    HD2

  21  ARG  HB3      21  ARG   HA            2.41      # rEff=   3.01       uni-biDir =    1         Ass-Norm =   21    HB3

  21  ARG  HB3      21  ARG  HG2            2.53      # rEff=   3.16       uni-biDir =    1         Ass-Norm =   21    HB3

  21  ARG  HB3      21  ARG  HD2            2.93      # rEff=   3.92       uni-biDir =    1         Ass-Norm =   21    HB3

  22  GLU   HA      20  PRO  HB3            2.36      # rEff=   2.95       uni-biDir =    1         Ass-Norm =   22     HA

  22  GLU   HA      22  GLU  HG2            2.24      # rEff=   2.80       uni-biDir =    1         Ass-Norm =   22     HA

  22  GLU  HB3      41  TRP  HH2            3.00      # rEff=   4.21       uni-biDir =    1         Ass-Norm =   22    HB3

  22  GLU   HA      52  PHE   QE            2.43      # rEff=   4.03       uni-biDir =    1         Ass-Norm =   22     HA

  23  VAL   HA      23  VAL   HB            2.02      # rEff=   2.53       uni-biDir =    1         Ass-Norm =   23     HA

  23  VAL   HA      23  VAL  QG1            2.57      # rEff=   3.71       uni-biDir =    2         Ass-Norm =   23     HA

  23  VAL   HB      23  VAL  QG1            1.82      # rEff=   2.99       uni-biDir =    1         Ass-Norm =   23     HB

  23  VAL   HB      46  VAL  QG2            2.36      # rEff=   3.87       uni-biDir =    1         Ass-Norm =   23     HB

  24  THR  QG2      24  THR   HA            2.39      # rEff=   3.91       uni-biDir =    1         Ass-Norm =   24    QG2

  24  THR  QG2      24  THR   HB            1.94      # rEff=   3.19       uni-biDir =    1         Ass-Norm =   24    QG2

  27  LYS   HA      27  LYS  HG2            3.04      # rEff=   3.04       uni-biDir =    2         Ass-Norm =   27     HA

  27  LYS   HA      27  LYS   QB            1.93      # rEff=   2.85       uni-biDir =    1         Ass-Norm =   27     HA

  27  LYS  HB2      27  LYS   HA            2.15      # rEff=   2.69       uni-biDir =    1         Ass-Norm =   27    HB2

  27  LYS  HB3      27  LYS   HA            2.39      # rEff=   2.99       uni-biDir =    1         Ass-Norm =   27    HB3

  27  LYS  HB3      27  LYS  HG2            2.60      # rEff=   2.60       uni-biDir =    2         Ass-Norm =   27    HB3

  30  ILE  QD1      30  ILE   HA            2.48      # rEff=   4.07       uni-biDir =    1         Ass-Norm =   30    QD1

  30  ILE  QD1      30  ILE   HB            2.13      # rEff=   3.49       uni-biDir =    1         Ass-Norm =   30    QD1

  31  LEU  HB2      44  VAL   HB            2.46      # rEff=   3.08       uni-biDir =    1         Ass-Norm =   31    HB2

  32  THR  QG2      32  THR   HA            2.28      # rEff=   3.75       uni-biDir =    1         Ass-Norm =   32    QG2

  32  THR  QG2      32  THR   HB            2.07      # rEff=   3.40       uni-biDir =    1         Ass-Norm =   32    QG2

  33  LEU  QD1      42  TRP  HB3            2.22      # rEff=   3.81       uni-biDir =    1         Ass-Norm =   33    QD1

  33  LEU  QD1      42  TRP  HZ3            1.98      # rEff=   3.65       uni-biDir =    1         Ass-Norm =   33    QD1

  34  LEU  HB3      34  LEU   HA            2.18      # rEff=   2.72       uni-biDir =    1         Ass-Norm =   34    HB3

  36  SER  HB2       2  ASP   HA            2.36      # rEff=   2.96       uni-biDir =    1         Ass-Norm =   36    HB2

  36  SER  HB3       2  ASP   HA            2.37      # rEff=   2.97       uni-biDir =    1         Ass-Norm =   36    HB3

  36  SER  HB2      33  LEU  QD1            1.92      # rEff=   3.15       uni-biDir =    1         Ass-Norm =   36    HB2

  36  SER   HA      36  SER  HB2            1.96      # rEff=   2.45       uni-biDir =    1         Ass-Norm =   36     HA

  36  SER  HB3      36  SER  HB2            1.49      # rEff=   1.87       uni-biDir =    1         Ass-Norm =   36    HB3

  37  THR   HA       6  LYS  HG3            2.20      # rEff=   2.76       uni-biDir =    1         Ass-Norm =   37     HA

  37  THR   HB       6  LYS  HG3            2.47      # rEff=   3.09       uni-biDir =    1         Ass-Norm =   37     HB

  38  ASN  HB2      38  ASN   HA            2.40      # rEff=   3.31       uni-biDir =    1         Ass-Norm =   38    HB2

  38  ASN  HB2      38  ASN  HB3            1.91      # rEff=   2.39       uni-biDir =    1         Ass-Norm =   38    HB2

  38  ASN  HB3      38  ASN   HA            2.33      # rEff=   2.91       uni-biDir =    1         Ass-Norm =   38    HB3

  39  LYS   HA      39  LYS  HB2            2.09      # rEff=   2.62       uni-biDir =    1         Ass-Norm =   39     HA

  40  ASP  HB2      40  ASP   HA            2.12      # rEff=   2.65       uni-biDir =    1         Ass-Norm =   40    HB2

  40  ASP  HB2      40  ASP  HB3            1.91      # rEff=   1.91       uni-biDir =    2         Ass-Norm =   40    HB2

  41  TRP  HD1      40  ASP  HB3            2.19      # rEff=   2.73       uni-biDir =    1         Ass-Norm =   41    HD1

  41  TRP  HZ3      41  TRP  HH2            1.88      # rEff=   2.36       uni-biDir =    1         Ass-Norm =   41    HZ3

  42  TRP   HA      36  SER   HA            2.68      # rEff=   3.34       uni-biDir =    1         Ass-Norm =   42     HA

  42  TRP  HH2      55  ALA   QB            2.46      # rEff=   3.23       uni-biDir =    2         Ass-Norm =   42    HH2

  43  LYS  HB2      43  LYS   HA            2.10      # rEff=   2.63       uni-biDir =    1         Ass-Norm =   43    HB2

  43  LYS  HG2      43  LYS  HB3            2.09      # rEff=   2.61       uni-biDir =    1         Ass-Norm =   43    HG2

  43  LYS  HD2      43  LYS  HG2            2.69      # rEff=   3.36       uni-biDir =    1         Ass-Norm =   43    HD2

  46  VAL   HB      31  LEU  HB3            3.50      # rEff=   4.37       uni-biDir =    1         Ass-Norm =   46     HB

  46  VAL   HA      46  VAL  QQG            1.89      # rEff=   3.66       uni-biDir =    1         Ass-Norm =   46     HA

  46  VAL   HB      46  VAL  QQG            1.06      # rEff=   2.05       uni-biDir =    1         Ass-Norm =   46     HB

  47  ASN  HB2      47  ASN   HA            2.68      # rEff=   3.35       uni-biDir =    1         Ass-Norm =   47    HB2

  48  ASP  HB3      48  ASP   HA            2.61      # rEff=   3.26       uni-biDir =    1         Ass-Norm =   48    HB3

  49  ARG  HG2      49  ARG  HD2            2.85      # rEff=   3.56       uni-biDir =    1         Ass-Norm =   49    HG2

  49  ARG  HG2      49  ARG  HD2            2.85      # rEff=   3.56       uni-biDir =    1         Ass-Norm =   49    HG2

  52  PHE  HB2      21  ARG  HG2            2.76      # rEff=   3.44       uni-biDir =    1         Ass-Norm =   52    HB2

  52  PHE   HA      52  PHE  HB3            2.19      # rEff=   2.74       uni-biDir =    1         Ass-Norm =   52     HA

  54  PRO  HD2       1  MET   HA            2.21      # rEff=   2.76       uni-biDir =    1         Ass-Norm =   54    HD2

  54  PRO   HA      41  TRP   HA            2.20      # rEff=   2.75       uni-biDir =    1         Ass-Norm =   54     HA

  54  PRO   HA      54  PRO  HB2            2.43      # rEff=   3.04       uni-biDir =    1         Ass-Norm =   54     HA

#  54  PRO   HA      54  PRO  HB3            2.67      # rEff=   2.67       uni-biDir =    2         Ass-Norm =   54     HA

  54  PRO   HA      58  VAL  QQG            2.43      # rEff=   4.71       uni-biDir =    1         Ass-Norm =   54     HA

  55  ALA   QB      40  ASP   HA            2.35      # rEff=   3.86       uni-biDir =    1         Ass-Norm =   55     QB

  55  ALA   HA      55  ALA   QB            1.65      # rEff=   2.70       uni-biDir =    1         Ass-Norm =   55     HA

  56  ALA   HA      56  ALA   QB            2.20      # rEff=   2.89       uni-biDir =    2         Ass-Norm =   56     HA

  57  TYR   QD      57  TYR   HA            2.17      # rEff=   3.20       uni-biDir =    1         Ass-Norm =   57     QD

  58  VAL  QG2      11  ALA   HA            2.10      # rEff=   3.44       uni-biDir =    1         Ass-Norm =   58    QG2

  58  VAL  QG1      55  ALA   HA            2.25      # rEff=   3.69       uni-biDir =    1         Ass-Norm =   58    QG1

  58  VAL   HA      58  VAL  QQG            1.69      # rEff=   3.28       uni-biDir =    1         Ass-Norm =   58     HA

  59  LYS  HB2      59  LYS   HA            2.46      # rEff=   3.07       uni-biDir =    1         Ass-Norm =   59    HB2

  60  LYS   HA       9  VAL  QG1            1.88      # rEff=   3.08       uni-biDir =    1         Ass-Norm =   60     HA

  60  LYS  HB3      60  LYS  HB2            1.92      # rEff=   2.41       uni-biDir =    1         Ass-Norm =   60    HB3

  61  LEU   HA      61  LEU  HB2            2.61      # rEff=   3.26       uni-biDir =    1         Ass-Norm =   61     HA# Restraints file 5: D_1292103239_mr_P4.cyana.V1
##2	ASP	PHI	-163.404	-39.484
3	GLU	PHI	-154.875	-115.715
4	THR	PHI	-166.946	-83.946
##5	GLY	PHI	53.18	94.704
##6	LYS	PHI	-142.377	-33.749
7	GLU	PHI	-135.883	-90.129
8	LEU	PHI	-121.912	-84.234
9	VAL	PHI	-152.352	-109.542
10	LEU	PHI	-132.877	-102.751
11	ALA	PHI	-118.028	-92.078
##12	LEU	PHI	-127.432	-89.584
13	TYR	PHI	-160.081	-118.169
##14	ASP	PHI	-174.102	-67.08
15	TYR	PHI	-136.498	-82.31
16	GLN	PHI	-138.215	-89.197
17	GLU	PHI	-142.025	-98.917
##18	LYS	PHI	-151.802	-96.062
##19	SER	PHI	-166.316	-40.238
#20	PRO	PHI	-74.667		-53.627
##21	ARG	PHI	-151.67	-69.64
22	GLU	PHI	-132.807	-90.749
##23	VAL	PHI	-178.141	-50.395
24	THR	PHI	-120.113	-94.111
25	MET	PHI	-131.376	-106.38
26	LYS	PHI	-150.918	-46.092
27	LYS	PHI	-99.141	-73.517
##28	GLY	PHI	-137.512	-95.2
29	ASP	PHI	-154.416	-105.482
30	ILE	PHI	-143.692	-107.058
##31	LEU	PHI	-177.517	-60.917
32	THR	PHI	-123.122	-84.484
33	LEU	PHI	-118.571	-88.523
##34	LEU	PHI	-109.229	-82.555
##35	ASN	PHI	-157.618	-76.932
##36	SER	PHI	-128.749	-67.737
##37	THR	PHI	-134.168	-65.13
##38	ASN	PHI	-149.321	-3.085
##39	LYS	PHI	-106.73	-74.348
##40	ASP	PHI	-127.41	-85.344
41	TRP	PHI	-123.042	-98.854
42	TRP	PHI	-134.11	-92.05
43	LYS	PHI	-107.598	-87.838
44	VAL	PHI	-139.57	-108.352
45	GLU	PHI	-173.369	-48.431
46	VAL	PHI	-122.307	-86.663
##47	ASN	PHI	51.386	55.098
##48	ASP	PHI	63.739	91.045
##49	ARG	PHI	-150.496	-46.122
50	GLN	PHI	-138.391	-100.047
##51	GLY	PHI	-179.863	-88.561
52	PHE	PHI	-155.533	-93.139
53	VAL	PHI	-105.584	-69.746
#54	PRO	PHI	-75.148	-52.878
#55	ALA	PHI	45.358	71.01
#56	ALA	PHI	-106.613	-79.389
#57	TYR	PHI	54.436	61.826
58	VAL	PHI	-155.349	-99.921
59	LYS	PHI	-144.834	-102.716
60	LYS	PHI	-129.88	-72.63
##61	LEU	PHI	-103.629	-70.837
2	ASP	PSI	130.95	161.652
3	GLU	PSI	108.949	165.327
##4	THR	PSI	124.811	158.263
##5	GLY	PSI	-11.855	43.859
##6	LYS	PSI	106.879	184.393
7	GLU	PSI	100.51	139.04
8	LEU	PSI	117.331	174.037
9	VAL	PSI	149.858	163.764
10	LEU	PSI	116.121	145.589
11	ALA	PSI	103.763	127.419
##12	LEU	PSI	118.511	190.441
13	TYR	PSI	154.952	179.432
##14	ASP	PSI	131.435	188.945
15	TYR	PSI	107.423	147.831
16	GLN	PSI	108.501	155.635
17	GLU	PSI	115.779	166.361
##18	LYS	PSI	90.014	178.046
##19	SER	PSI	149.22	188.998
20	PRO	PSI	-30.922	-7.402
##21	ARG	PSI	107.658	178.06
22	GLU	PSI	148.918	171.726
##23	VAL	PSI	132.171	168.617
24	THR	PSI	120.748	157.128
25	MET	PSI	118.185	154.167
##26	LYS	PSI	109.01	183.138
27	LYS	PSI	99.531	147.455
##28	GLY	PSI	97.57	161.468
29	ASP	PSI	127.711	174.127
30	ILE	PSI	122.559	145.087
##31	LEU	PSI	93.634	172.248
32	THR	PSI	104.068	136.714
33	LEU	PSI	108.592	135.948
##34	LEU	PSI	111.803	182.099
##35	ASN	PSI	123.697	160.497
##36	SER	PSI	50.295	170.819
##37	THR	PSI	89.347	191.741
##38	ASN	PSI	92.795	177.645
##39	LYS	PSI	-35.433	4.609
##40	ASP	PSI	-3.563	40.139
41	TRP	PSI	124.411	139.147
42	TRP	PSI	105.895	154.341
43	LYS	PSI	106.145	139.869
44	VAL	PSI	129.188	171.092
##45	GLU	PSI	123.178	157.456
46	VAL	PSI	110.61	134.896
##47	ASN	PSI	39.206	47.084
##48	ASP	PSI	-15.081	23.533
49	ARG	PSI	86.159	191.435
50	GLN	PSI	138.708	163.908
##51	GLY	PSI	132.086	178.01
52	PHE	PSI	143.781	160.761
#53	VAL	PSI	-34.634	30.036
#54	PRO	PSI	134.543	154.363
#55	ALA	PSI	34.714	53.326
#56	ALA	PSI	-10.938	20.914
57	TYR	PSI	36.82	50.998
58	VAL	PSI	112.136	186.31
59	LYS	PSI	121.484	161.292
60	LYS	PSI	108.861	168.921
##61	LEU	PSI	113.07	145.442
2 	ASP 	PHI	-182.634	-122.634
3 	GLU 	PHI	-180.295	-120.295
6 	LYS 	PHI	-178.502	-61.498
8 	LEU 	PHI	-166.316	-73.684
11	ALA 	PHI	-192.385	-132.385
12 	LEU 	PHI	-111.04		-51.04
13 	TYR 	PHI	-156.834	-83.166
14 	ASP 	PHI	-188.484	-128.484
15 	TYR 	PHI	-176.9	-63.1
16 	GLN 	PHI	-157.034	-82.966
19 	SER 	PHI	-192.796	-132.796
21 	ARG 	PHI	-177.169	-62.831
24 	THR 	PHI	-171.554	-68.446
25	MET 	PHI	-156.303	-83.697
29 	ASP 	PHI	-94.274	-34.274
30 	ILE 	PHI	-160.676	-79.324
32 	THR 	PHI	-171.737	-68.263
33 	LEU 	PHI	-179.941	-60.059
35 	ASN 	PHI	-180.064	-120.064
38 	ASN 	PHI	-170.678	-69.322
39 	LYS 	PHI	-85.331	-25.331
46 	VAL 	PHI	-171.82	-68.18
47 	ASN 	PHI	-111.553	-51.553
48 	ASP 	PHI	-126.783	-66.783
52 	PHE 	PHI	-167.507	-72.493
###53 	VAL 	PHI	-168.305	-71.695
###56 	ALA 	PHI	-97.023	-37.023
###57 	TYR 	PHI	-163.891	-76.109
60 	LYS 	PHI	-202.742	-142.742
61 	LEU 	PHI	-175.846	-64.154
62 	ASP 	PHI	-119.462	-59.462
# Restraints file 6: D_1292103239_mr_P3.cyana.V1
2 ASP 	H	2 ASP 	HA	7.10309	0.23875	1	0.111	-1.222	8.754
3 GLU 	H	3 GLU 	HA	7.35598	0.11675	1	0.111	-1.222	8.754
4 THR 	H	4 THR 	HA	15.53475	0.52979	1	0.111	-1.222	8.754
6 LYS 	H	6 LYS 	HA	7.54164	0.11755	1	0.111	-1.222	8.754
8 LEU 	H	8 LEU 	HA	8.5667	0.2799	1	0.111	-1.222	8.754
9 VAL 	H	9 VAL 	HA	9.98326	0.26448	1	0.111	-1.222	8.754
11 ALA 	H	11 ALA 	HA	5.95235	0.30741	1	0.111	-1.222	8.754
12 LEU 	H	12 LEU 	HA	6.37037	0.57104	1	0.111	-1.222	8.754
13 TYR 	H	13 TYR 	HA	9.00953	0.19775	1	0.111	-1.222	8.754
14 ASP 	H	14 ASP 	HA	6.42754	0.26662	1	0.111	-1.222	8.754
15 TYR 	H	15 TYR 	HA	7.70098	0.20435	1	0.111	-1.222	8.754
16 GLN 	H	16 GLN 	HA	9.00382	0.22775	1	0.111	-1.222	8.754
19 SER 	H	19 SER 	HA	5.90158	0.24479	1	0.111	-1.222	8.754
21 ARG 	H	21 ARG 	HA	7.6747	0.22175	1	0.111	-1.222	8.754
22 GLU 	H	22 GLU 	HA	9.46131	0.26938	1	0.111	-1.222	8.754
23 VAL 	H	23 VAL 	HA	9.52835	0.23109	1	0.111	-1.222	8.754
24 THR 	H	24 THR 	HA	8.18196	0.20146	1	0.111	-1.222	8.754
25 MET 	H	25 MET 	HA	9.02391	0.26003	1	0.111	-1.222	8.754
26 LYS 	H	26 LYS 	HA	10.28775	0.22198	1	0.111	-1.222	8.754
29 ASP 	H	29 ASP 	HA	4.29538	0.30899	1	0.111	-1.222	8.754
30 ILE 	H	30 ILE 	HA	8.8719	0.19542	1	0.111	-1.222	8.754
31 LEU 	H	31 LEU 	HA	10.12554	0.28341	1	0.111	-1.222	8.754
32 THR 	H	32 THR 	HA	8.1669	0.22789	1	0.111	-1.222	8.754
33 LEU 	H	33 LEU 	HA	7.39323	0.34147	1	0.111	-1.222	8.754
34 LEU 	H	34 LEU 	HA	9.17666	0.39599	1	0.111	-1.222	8.754
35 ASN 	H	35 ASN 	HA	7.3803	0.24358	1	0.111	-1.222	8.754
36 SER 	H	36 SER 	HA	9.41941	0.34223	1	0.111	-1.222	8.754
38 ASN 	H	38 ASN 	HA	8.25256	0.24228	1	0.111	-1.222	8.754
39 LYS 	H	39 LYS 	HA	3.27038	0.36923	1	0.111	-1.222	8.754
41 TRP 	H	41 TRP 	HA	9.35949	0.29774	1	0.111	-1.222	8.754
42 TRP 	H	42 TRP 	HA	9.21016	0.38859	1	0.111	-1.222	8.754
44 VAL 	H	44 VAL 	HA	10.191	0.33498	1	0.111	-1.222	8.754
45 GLU 	H	45 GLU 	HA	9.99871	0.24573	1	0.111	-1.222	8.754
46 VAL 	H	46 VAL 	HA	8.15996	0.1662	1	0.111	-1.222	8.754
47 ASN 	H	47 ASN 	HA	6.43188	0.26165	1	0.111	-1.222	8.754
48 ASP 	H	48 ASP 	HA	8.04126	0.35301	1	0.111	-1.222	8.754
49 ARG 	H	49 ARG 	HA	9.15755	0.13789	1	0.111	-1.222	8.754
50 GLN 	H	50 GLN 	HA	9.16116	0.15093	1	0.111	-1.222	8.754
52 PHE 	H	52 PHE 	HA	8.4874	0.49671	1	0.111	-1.222	8.754
#53 VAL 	H	53 VAL 	HA	8.43148	0.37941	1	0.111	-1.222	8.754
#56 ALA 	H	56 ALA 	HA	4.6315	0.26646	1	0.111	-1.222	8.754
#57 TYR 	H	57 TYR 	HA	8.71247	0.24859	1	0.111	-1.222	8.754
58 VAL 	H	58 VAL 	HA	9.68519	0.19587	1	0.111	-1.222	8.754
59 LYS 	H	59 LYS 	HA	9.70363	0.21778	1	0.111	-1.222	8.754
60 LYS 	H	60 LYS 	HA	4.66059	0.30572	1	0.111	-1.222	8.754
61 LEU 	H	61 LEU 	HA	7.80218	0.30384	1	0.111	-1.222	8.754
62 ASP 	H	62 ASP 	HA	7.33025	0.11566	1	0.111	-1.222	8.754
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           H        MET   1   0.390   0.859   0.325
    2    HA   MET   1           HA       MET   1   2.864  -0.493  -0.426
    3    HB2  MET   1           HB2      MET   1   0.752   0.961  -2.013
    4    HB3  MET   1           HB3      MET   1   2.260   0.406  -2.728
    5    HG2  MET   1           HG2      MET   1   1.284  -1.819  -1.404
    6    HG3  MET   1           HG3      MET   1  -0.148  -1.064  -2.102
    7    HE1  MET   1           HE1      MET   1  -0.172  -2.276  -5.560
    8    HE2  MET   1           HE2      MET   1  -0.851  -2.723  -3.995
    9    HE3  MET   1           HE3      MET   1  -0.778  -1.027  -4.473
   10    H    ASP   2           H        ASP   2   1.624   2.688  -1.404
   11    HA   ASP   2           HA       ASP   2   2.562   4.767  -1.371
   12    HB2  ASP   2           HB2      ASP   2   4.804   3.756   0.358
   13    HB3  ASP   2           HB3      ASP   2   4.085   5.363   0.311
   14    H    GLU   3           H        GLU   3   5.406   2.631  -1.102
   15    HA   GLU   3           HA       GLU   3   7.171   2.267  -2.492
   16    HB2  GLU   3           HB2      GLU   3   5.125   1.965  -4.115
   17    HB3  GLU   3           HB3      GLU   3   5.703   3.477  -4.801
   18    HG2  GLU   3           HG2      GLU   3   8.006   2.084  -4.707
   19    HG3  GLU   3           HG3      GLU   3   6.849   0.774  -4.937
   20    H    THR   4           H        THR   4   8.154   4.014  -1.226
   21    HA   THR   4           HA       THR   4   9.127   6.084  -0.940
   22    HB   THR   4           HB       THR   4  10.742   4.893  -2.347
   23    HG1  THR   4           HG1      THR   4  10.708   7.487  -3.427
   24   HG21  THR   4          HG21      THR   4   9.102   6.045  -4.594
   25   HG22  THR   4          HG22      THR   4  10.766   5.506  -4.816
   26   HG23  THR   4          HG23      THR   4   9.528   4.359  -4.304
   27    H    GLY   5           H        GLY   5   6.435   6.447  -1.540
   28    HA2  GLY   5           HA2      GLY   5   6.551   8.879  -3.214
   29    HA3  GLY   5           HA3      GLY   5   5.186   7.774  -3.271
   30    H    LYS   6           H        LYS   6   7.062   9.573  -0.828
   31    HA   LYS   6           HA       LYS   6   4.646   9.930   0.757
   32    HB2  LYS   6           HB2      LYS   6   7.436   9.780   1.314
   33    HB3  LYS   6           HB3      LYS   6   6.862  11.353   1.851
   34    HG2  LYS   6           HG2      LYS   6   6.440  10.177   3.735
   35    HG3  LYS   6           HG3      LYS   6   4.926   9.855   2.887
   36    HD2  LYS   6           HD2      LYS   6   5.351   7.675   2.935
   37    HD3  LYS   6           HD3      LYS   6   6.850   7.937   2.042
   38    HE2  LYS   6           HE2      LYS   6   7.547   6.881   4.000
   39    HE3  LYS   6           HE3      LYS   6   7.853   8.589   4.313
   40    HZ1  LYS   6           HZ1      LYS   6   6.788   7.456   6.191
   41    HZ2  LYS   6           HZ2      LYS   6   5.831   8.714   5.586
   42    HZ3  LYS   6           HZ3      LYS   6   5.445   7.107   5.222
   43    H    GLU   7           H        GLU   7   3.518  11.779   0.925
   44    HA   GLU   7           HA       GLU   7   4.500  14.366   0.533
   45    HB2  GLU   7           HB2      GLU   7   3.991  12.971  -1.906
   46    HB3  GLU   7           HB3      GLU   7   2.788  14.242  -1.734
   47    HG2  GLU   7           HG2      GLU   7   4.259  15.817  -2.245
   48    HG3  GLU   7           HG3      GLU   7   5.423  15.207  -1.071
   49    H    LEU   8           H        LEU   8   2.701  15.993   0.319
   50    HA   LEU   8           HA       LEU   8   0.134  14.932   1.275
   51    HB2  LEU   8           HB2      LEU   8   2.019  16.478   2.769
   52    HB3  LEU   8           HB3      LEU   8   0.555  17.428   2.523
   53    HG   LEU   8           HG       LEU   8  -0.780  15.809   3.650
   54   HD11  LEU   8          HD11      LEU   8   0.329  13.756   4.624
   55   HD12  LEU   8          HD12      LEU   8   0.073  13.750   2.879
   56   HD13  LEU   8          HD13      LEU   8   1.677  14.080   3.533
   57   HD21  LEU   8          HD21      LEU   8  -0.132  16.703   5.573
   58   HD22  LEU   8          HD22      LEU   8   1.191  15.541   5.667
   59   HD23  LEU   8          HD23      LEU   8   1.440  17.097   4.876
   60    H    VAL   9           H        VAL   9  -1.688  16.243   0.840
   61    HA   VAL   9           HA       VAL   9  -1.302  18.611  -0.817
   62    HB   VAL   9           HB       VAL   9  -2.753  17.840  -2.597
   63   HG11  VAL   9          HG11      VAL   9  -0.392  17.444  -2.900
   64   HG12  VAL   9          HG12      VAL   9  -0.501  15.920  -2.019
   65   HG13  VAL   9          HG13      VAL   9  -1.301  16.095  -3.581
   66   HG21  VAL   9          HG21      VAL   9  -4.216  16.357  -1.418
   67   HG22  VAL   9          HG22      VAL   9  -3.421  15.436  -2.694
   68   HG23  VAL   9          HG23      VAL   9  -2.882  15.273  -1.023
   69    H    LEU  10           H        LEU  10  -3.463  19.638  -1.343
   70    HA   LEU  10           HA       LEU  10  -5.318  19.244   0.913
   71    HB2  LEU  10           HB2      LEU  10  -4.240  21.708  -0.369
   72    HB3  LEU  10           HB3      LEU  10  -5.862  21.746   0.319
   73    HG   LEU  10           HG       LEU  10  -4.057  22.611   1.817
   74   HD11  LEU  10          HD11      LEU  10  -6.287  21.585   2.540
   75   HD12  LEU  10          HD12      LEU  10  -5.337  20.174   3.006
   76   HD13  LEU  10          HD13      LEU  10  -5.019  21.739   3.756
   77   HD21  LEU  10          HD21      LEU  10  -3.257  19.717   2.057
   78   HD22  LEU  10          HD22      LEU  10  -2.366  20.907   1.107
   79   HD23  LEU  10          HD23      LEU  10  -2.523  21.109   2.852
   80    H    ALA  11           H        ALA  11  -7.505  19.265   0.513
   81    HA   ALA  11           HA       ALA  11  -8.353  18.478  -2.075
   82    HB1  ALA  11           HB1      ALA  11  -9.752  19.074   0.498
   83    HB2  ALA  11           HB2      ALA  11 -10.682  18.838  -0.982
   84    HB3  ALA  11           HB3      ALA  11  -9.630  17.554  -0.387
   85    H    LEU  12           H        LEU  12  -8.410  19.847  -3.738
   86    HA   LEU  12           HA       LEU  12  -8.896  22.664  -3.377
   87    HB2  LEU  12           HB2      LEU  12  -7.323  21.603  -5.069
   88    HB3  LEU  12           HB3      LEU  12  -8.765  21.181  -5.989
   89    HG   LEU  12           HG       LEU  12  -8.247  24.029  -5.227
   90   HD11  LEU  12          HD11      LEU  12  -6.186  23.480  -6.236
   91   HD12  LEU  12          HD12      LEU  12  -6.966  22.488  -7.468
   92   HD13  LEU  12          HD13      LEU  12  -7.156  24.241  -7.497
   93   HD21  LEU  12          HD21      LEU  12  -9.291  23.704  -7.822
   94   HD22  LEU  12          HD22      LEU  12 -10.166  22.583  -6.778
   95   HD23  LEU  12          HD23      LEU  12 -10.120  24.302  -6.384
   96    H    TYR  13           H        TYR  13 -10.724  19.857  -4.298
   97    HA   TYR  13           HA       TYR  13 -13.129  21.520  -4.452
   98    HB2  TYR  13           HB2      TYR  13 -12.620  21.209  -6.760
   99    HB3  TYR  13           HB3      TYR  13 -12.249  19.506  -6.520
  100    HD1  TYR  13           HD1      TYR  13 -13.788  18.150  -7.562
  101    HD2  TYR  13           HD2      TYR  13 -15.158  21.691  -5.642
  102    HE1  TYR  13           HE1      TYR  13 -16.105  17.559  -8.139
  103    HE2  TYR  13           HE2      TYR  13 -17.479  21.110  -6.213
  104    HH   TYR  13           HH       TYR  13 -18.577  19.617  -8.155
  105    H    ASP  14           H        ASP  14 -14.863  20.659  -3.455
  106    HA   ASP  14           HA       ASP  14 -14.559  18.469  -1.723
  107    HB2  ASP  14           HB2      ASP  14 -17.140  19.700  -2.711
  108    HB3  ASP  14           HB3      ASP  14 -16.941  18.717  -1.263
  109    H    TYR  15           H        TYR  15 -14.054  16.539  -2.624
  110    HA   TYR  15           HA       TYR  15 -15.772  15.517  -4.776
  111    HB2  TYR  15           HB2      TYR  15 -13.028  15.505  -4.532
  112    HB3  TYR  15           HB3      TYR  15 -13.464  13.879  -4.018
  113    HD1  TYR  15           HD1      TYR  15 -14.820  12.436  -5.580
  114    HD2  TYR  15           HD2      TYR  15 -13.059  16.107  -6.813
  115    HE1  TYR  15           HE1      TYR  15 -15.045  11.747  -7.931
  116    HE2  TYR  15           HE2      TYR  15 -13.281  15.430  -9.167
  117    HH   TYR  15           HH       TYR  15 -14.646  12.271 -10.049
  118    H    GLN  16           H        GLN  16 -17.222  13.983  -4.376
  119    HA   GLN  16           HA       GLN  16 -17.259  12.752  -1.724
  120    HB2  GLN  16           HB2      GLN  16 -19.267  13.621  -3.611
  121    HB3  GLN  16           HB3      GLN  16 -19.532  11.943  -3.157
  122    HG2  GLN  16           HG2      GLN  16 -20.581  12.715  -1.367
  123    HG3  GLN  16           HG3      GLN  16 -18.997  13.189  -0.755
  124   HE21  GLN  16          HE21      GLN  16 -19.676  14.981   0.336
  125   HE22  GLN  16          HE22      GLN  16 -20.289  16.396  -0.442
  126    H    GLU  17           H        GLU  17 -16.616  12.006  -5.017
  127    HA   GLU  17           HA       GLU  17 -15.917  10.108  -6.057
  128    HB2  GLU  17           HB2      GLU  17 -15.720   8.894  -3.299
  129    HB3  GLU  17           HB3      GLU  17 -14.887   8.366  -4.754
  130    HG2  GLU  17           HG2      GLU  17 -14.462  11.004  -3.370
  131    HG3  GLU  17           HG3      GLU  17 -13.422   9.589  -3.217
  132    H    LYS  18           H        LYS  18 -16.347   7.405  -5.448
  133    HA   LYS  18           HA       LYS  18 -18.996   6.796  -4.718
  134    HB2  LYS  18           HB2      LYS  18 -18.623   7.750  -7.434
  135    HB3  LYS  18           HB3      LYS  18 -19.261   6.111  -7.412
  136    HG2  LYS  18           HG2      LYS  18 -21.279   6.823  -6.837
  137    HG3  LYS  18           HG3      LYS  18 -20.632   7.777  -5.500
  138    HD2  LYS  18           HD2      LYS  18 -20.533   9.690  -6.735
  139    HD3  LYS  18           HD3      LYS  18 -20.230   8.828  -8.245
  140    HE2  LYS  18           HE2      LYS  18 -22.612   8.051  -8.169
  141    HE3  LYS  18           HE3      LYS  18 -22.857   9.134  -6.800
  142    HZ1  LYS  18           HZ1      LYS  18 -23.521  10.411  -8.578
  143    HZ2  LYS  18           HZ2      LYS  18 -21.912  10.902  -8.401
  144    HZ3  LYS  18           HZ3      LYS  18 -22.333   9.804  -9.618
  145    H    SER  19           H        SER  19 -16.175   5.970  -6.642
  146    HA   SER  19           HA       SER  19 -16.734   3.122  -6.432
  147    HB2  SER  19           HB2      SER  19 -15.137   4.799  -8.155
  148    HB3  SER  19           HB3      SER  19 -14.150   3.499  -7.486
  149    HG   SER  19           HG       SER  19 -16.695   2.999  -8.603
  150    HA   PRO  20           HA       PRO  20 -14.220   2.264  -2.942
  151    HB2  PRO  20           HB2      PRO  20 -13.063  -0.092  -3.635
  152    HB3  PRO  20           HB3      PRO  20 -14.774   0.050  -3.214
  153    HG2  PRO  20           HG2      PRO  20 -13.492  -0.074  -5.917
  154    HG3  PRO  20           HG3      PRO  20 -14.954  -0.889  -5.334
  155    HD2  PRO  20           HD2      PRO  20 -15.042   1.351  -6.852
  156    HD3  PRO  20           HD3      PRO  20 -16.265   0.986  -5.618
  157    H    ARG  21           H        ARG  21 -12.710   2.410  -6.079
  158    HA   ARG  21           HA       ARG  21 -10.031   2.517  -4.940
  159    HB2  ARG  21           HB2      ARG  21  -9.237   2.522  -7.217
  160    HB3  ARG  21           HB3      ARG  21 -10.465   1.274  -7.050
  161    HG2  ARG  21           HG2      ARG  21 -11.493   3.878  -7.910
  162    HG3  ARG  21           HG3      ARG  21 -10.376   3.112  -9.042
  163    HD2  ARG  21           HD2      ARG  21 -12.934   1.977  -7.929
  164    HD3  ARG  21           HD3      ARG  21 -12.592   2.415  -9.602
  165    HE   ARG  21           HE       ARG  21 -10.722   0.538  -9.057
  166   HH11  ARG  21          HH11      ARG  21 -14.184   0.640  -8.712
  167   HH12  ARG  21          HH12      ARG  21 -14.390  -1.063  -8.955
  168   HH21  ARG  21          HH21      ARG  21 -10.979  -1.706  -9.378
  169   HH22  ARG  21          HH22      ARG  21 -12.566  -2.397  -9.332
  170    H    GLU  22           H        GLU  22 -12.253   4.627  -4.675
  171    HA   GLU  22           HA       GLU  22 -10.695   6.921  -5.668
  172    HB2  GLU  22           HB2      GLU  22 -13.639   6.522  -5.243
  173    HB3  GLU  22           HB3      GLU  22 -12.952   8.140  -5.231
  174    HG2  GLU  22           HG2      GLU  22 -12.043   7.743  -7.484
  175    HG3  GLU  22           HG3      GLU  22 -12.818   6.160  -7.493
  176    H    VAL  23           H        VAL  23 -10.763   8.872  -4.297
  177    HA   VAL  23           HA       VAL  23 -10.907   8.189  -1.432
  178    HB   VAL  23           HB       VAL  23  -8.811   9.728  -2.929
  179   HG11  VAL  23          HG11      VAL  23  -8.943  11.315  -1.340
  180   HG12  VAL  23          HG12      VAL  23  -9.856  10.283  -0.239
  181   HG13  VAL  23          HG13      VAL  23  -8.103  10.126  -0.346
  182   HG21  VAL  23          HG21      VAL  23  -7.424   8.086  -2.288
  183   HG22  VAL  23          HG22      VAL  23  -8.094   8.026  -0.657
  184   HG23  VAL  23          HG23      VAL  23  -8.900   7.173  -1.973
  185    H    THR  24           H        THR  24 -12.571   9.232  -0.567
  186    HA   THR  24           HA       THR  24 -13.686  11.605  -1.702
  187    HB   THR  24           HB       THR  24 -14.251  10.311   0.973
  188    HG1  THR  24           HG1      THR  24 -16.221   9.740  -0.433
  189   HG21  THR  24          HG21      THR  24 -16.440  11.772  -0.189
  190   HG22  THR  24          HG22      THR  24 -15.686  11.964   1.394
  191   HG23  THR  24          HG23      THR  24 -15.036  12.823  -0.003
  192    H    MET  25           H        MET  25 -13.054  13.630  -1.385
  193    HA   MET  25           HA       MET  25 -11.693  14.310   1.134
  194    HB2  MET  25           HB2      MET  25 -10.082  15.645   0.002
  195    HB3  MET  25           HB3      MET  25 -10.106  14.089  -0.816
  196    HG2  MET  25           HG2      MET  25 -11.970  15.957  -2.000
  197    HG3  MET  25           HG3      MET  25 -10.323  16.583  -1.985
  198    HE1  MET  25           HE1      MET  25  -8.677  15.052  -4.817
  199    HE2  MET  25           HE2      MET  25  -9.799  16.413  -4.796
  200    HE3  MET  25           HE3      MET  25  -8.686  16.167  -3.450
  201    H    LYS  26           H        LYS  26 -11.942  16.482   1.841
  202    HA   LYS  26           HA       LYS  26 -14.281  17.830   0.661
  203    HB2  LYS  26           HB2      LYS  26 -13.390  17.445   3.489
  204    HB3  LYS  26           HB3      LYS  26 -14.302  18.891   3.078
  205    HG2  LYS  26           HG2      LYS  26 -15.542  16.524   1.984
  206    HG3  LYS  26           HG3      LYS  26 -15.325  16.397   3.731
  207    HD2  LYS  26           HD2      LYS  26 -16.647  18.261   4.157
  208    HD3  LYS  26           HD3      LYS  26 -16.456  18.891   2.519
  209    HE2  LYS  26           HE2      LYS  26 -17.887  16.309   3.075
  210    HE3  LYS  26           HE3      LYS  26 -18.714  17.864   3.142
  211    HZ1  LYS  26           HZ1      LYS  26 -17.863  16.341   0.859
  212    HZ2  LYS  26           HZ2      LYS  26 -19.034  17.556   0.971
  213    HZ3  LYS  26           HZ3      LYS  26 -17.405  17.967   0.776
  214    H    LYS  27           H        LYS  27 -13.995  19.801  -0.149
  215    HA   LYS  27           HA       LYS  27 -11.641  21.027  -0.657
  216    HB2  LYS  27           HB2      LYS  27 -13.931  21.716  -1.469
  217    HB3  LYS  27           HB3      LYS  27 -14.134  22.580   0.049
  218    HG2  LYS  27           HG2      LYS  27 -12.148  23.938  -0.494
  219    HG3  LYS  27           HG3      LYS  27 -12.041  23.111  -2.050
  220    HD2  LYS  27           HD2      LYS  27 -13.196  25.058  -2.572
  221    HD3  LYS  27           HD3      LYS  27 -14.491  23.877  -2.361
  222    HE2  LYS  27           HE2      LYS  27 -15.278  25.671  -1.141
  223    HE3  LYS  27           HE3      LYS  27 -14.484  24.706   0.103
  224    HZ1  LYS  27           HZ1      LYS  27 -12.594  26.131   0.037
  225    HZ2  LYS  27           HZ2      LYS  27 -13.188  26.975  -1.304
  226    HZ3  LYS  27           HZ3      LYS  27 -13.963  27.114   0.194
  227    H    GLY  28           H        GLY  28 -10.046  21.294   0.795
  228    HA2  GLY  28           HA2      GLY  28  -9.092  22.901   2.334
  229    HA3  GLY  28           HA3      GLY  28 -10.651  22.974   3.142
  230    H    ASP  29           H        ASP  29  -9.185  19.967   2.123
  231    HA   ASP  29           HA       ASP  29  -8.573  19.349   4.936
  232    HB2  ASP  29           HB2      ASP  29  -9.804  17.447   4.922
  233    HB3  ASP  29           HB3      ASP  29 -10.676  18.251   3.619
  234    H    ILE  30           H        ILE  30  -6.998  17.603   5.221
  235    HA   ILE  30           HA       ILE  30  -5.014  17.627   3.049
  236    HB   ILE  30           HB       ILE  30  -4.787  17.949   5.912
  237   HG12  ILE  30          HG12      ILE  30  -3.810  19.289   3.927
  238   HG13  ILE  30          HG13      ILE  30  -2.799  19.054   5.349
  239   HG21  ILE  30          HG21      ILE  30  -2.774  16.532   6.208
  240   HG22  ILE  30          HG22      ILE  30  -4.258  15.604   5.988
  241   HG23  ILE  30          HG23      ILE  30  -3.120  15.778   4.651
  242   HD11  ILE  30          HD11      ILE  30  -1.826  18.701   2.966
  243   HD12  ILE  30          HD12      ILE  30  -1.392  17.599   4.272
  244   HD13  ILE  30          HD13      ILE  30  -2.610  17.126   3.088
  245    H    LEU  31           H        LEU  31  -4.098  15.742   2.316
  246    HA   LEU  31           HA       LEU  31  -5.112  13.224   3.443
  247    HB2  LEU  31           HB2      LEU  31  -4.839  12.665   0.774
  248    HB3  LEU  31           HB3      LEU  31  -6.357  12.966   1.617
  249    HG   LEU  31           HG       LEU  31  -4.850  15.260   0.435
  250   HD11  LEU  31          HD11      LEU  31  -5.655  14.923  -1.709
  251   HD12  LEU  31          HD12      LEU  31  -5.143  13.305  -1.230
  252   HD13  LEU  31          HD13      LEU  31  -6.852  13.739  -1.185
  253   HD21  LEU  31          HD21      LEU  31  -7.432  15.749  -0.004
  254   HD22  LEU  31          HD22      LEU  31  -7.596  14.649   1.365
  255   HD23  LEU  31          HD23      LEU  31  -6.643  16.124   1.528
  256    H    THR  32           H        THR  32  -3.810  11.333   2.852
  257    HA   THR  32           HA       THR  32  -0.972  12.054   2.717
  258    HB   THR  32           HB       THR  32  -1.971   9.294   3.345
  259    HG1  THR  32           HG1      THR  32  -3.088  10.477   4.834
  260   HG21  THR  32          HG21      THR  32   0.353  10.731   4.581
  261   HG22  THR  32          HG22      THR  32   0.092   8.998   4.384
  262   HG23  THR  32          HG23      THR  32   0.498   9.992   2.986
  263    H    LEU  33           H        LEU  33  -0.093  11.980   0.759
  264    HA   LEU  33           HA       LEU  33  -1.205  10.604  -1.442
  265    HB2  LEU  33           HB2      LEU  33   1.303  12.092  -0.897
  266    HB3  LEU  33           HB3      LEU  33   1.283  11.018  -2.295
  267    HG   LEU  33           HG       LEU  33   0.757  13.451  -2.734
  268   HD11  LEU  33          HD11      LEU  33  -0.021  11.242  -4.016
  269   HD12  LEU  33          HD12      LEU  33  -1.605  11.899  -3.603
  270   HD13  LEU  33          HD13      LEU  33  -0.468  12.864  -4.544
  271   HD21  LEU  33          HD21      LEU  33  -1.588  14.124  -2.291
  272   HD22  LEU  33          HD22      LEU  33  -1.779  12.682  -1.294
  273   HD23  LEU  33          HD23      LEU  33  -0.626  13.932  -0.826
  274    H    LEU  34           H        LEU  34  -0.594   8.720  -2.478
  275    HA   LEU  34           HA       LEU  34   1.180   6.940  -0.939
  276    HB2  LEU  34           HB2      LEU  34  -1.512   6.559  -2.022
  277    HB3  LEU  34           HB3      LEU  34  -0.390   5.258  -2.417
  278    HG   LEU  34           HG       LEU  34  -0.439   6.070   0.415
  279   HD11  LEU  34          HD11      LEU  34  -2.689   6.135   0.491
  280   HD12  LEU  34          HD12      LEU  34  -2.875   5.256  -1.027
  281   HD13  LEU  34          HD13      LEU  34  -2.531   4.378   0.463
  282   HD21  LEU  34          HD21      LEU  34  -0.578   3.519   0.579
  283   HD22  LEU  34          HD22      LEU  34  -0.323   3.522  -1.166
  284   HD23  LEU  34          HD23      LEU  34   0.894   4.218  -0.096
  285    H    ASN  35           H        ASN  35  -0.238   7.207  -4.206
  286    HA   ASN  35           HA       ASN  35   2.158   6.030  -5.353
  287    HB2  ASN  35           HB2      ASN  35  -0.017   5.304  -6.201
  288    HB3  ASN  35           HB3      ASN  35  -0.412   6.960  -6.652
  289   HD21  ASN  35          HD21      ASN  35   2.620   5.192  -7.032
  290   HD22  ASN  35          HD22      ASN  35   2.669   5.295  -8.756
  291    H    SER  36           H        SER  36   0.213   8.851  -6.333
  292    HA   SER  36           HA       SER  36   0.800  10.943  -7.014
  293    HB2  SER  36           HB2      SER  36   2.839  10.228  -5.079
  294    HB3  SER  36           HB3      SER  36   3.494  11.276  -6.337
  295    HG   SER  36           HG       SER  36   1.858  12.766  -5.878
  296    H    THR  37           H        THR  37   1.531   8.352  -8.474
  297    HA   THR  37           HA       THR  37   3.645   9.364 -10.235
  298    HB   THR  37           HB       THR  37   2.367   6.623 -10.144
  299    HG1  THR  37           HG1      THR  37   3.781   7.282  -8.340
  300   HG21  THR  37          HG21      THR  37   4.176   5.943 -11.631
  301   HG22  THR  37          HG22      THR  37   3.218   7.224 -12.374
  302   HG23  THR  37          HG23      THR  37   4.789   7.596 -11.666
  303    H    ASN  38           H        ASN  38   0.255   8.480 -10.190
  304    HA   ASN  38           HA       ASN  38   0.014   9.035 -13.053
  305    HB2  ASN  38           HB2      ASN  38  -1.107   7.028 -12.380
  306    HB3  ASN  38           HB3      ASN  38  -1.904   7.850 -11.042
  307   HD21  ASN  38          HD21      ASN  38  -1.497   8.779 -14.432
  308   HD22  ASN  38          HD22      ASN  38  -3.185   8.906 -14.779
  309    H    LYS  39           H        LYS  39   0.032  11.206 -13.328
  310    HA   LYS  39           HA       LYS  39  -0.881  13.186 -11.667
  311    HB2  LYS  39           HB2      LYS  39   0.365  13.757 -13.629
  312    HB3  LYS  39           HB3      LYS  39  -0.861  13.065 -14.683
  313    HG2  LYS  39           HG2      LYS  39  -2.432  14.816 -13.980
  314    HG3  LYS  39           HG3      LYS  39  -1.170  15.522 -12.968
  315    HD2  LYS  39           HD2      LYS  39   0.077  16.226 -14.792
  316    HD3  LYS  39           HD3      LYS  39  -0.675  15.059 -15.883
  317    HE2  LYS  39           HE2      LYS  39  -2.775  16.648 -14.984
  318    HE3  LYS  39           HE3      LYS  39  -1.449  17.776 -15.258
  319    HZ1  LYS  39           HZ1      LYS  39  -3.107  16.557 -17.155
  320    HZ2  LYS  39           HZ2      LYS  39  -1.841  17.650 -17.418
  321    HZ3  LYS  39           HZ3      LYS  39  -1.534  15.986 -17.406
  322    H    ASP  40           H        ASP  40  -2.743  11.559 -14.228
  323    HA   ASP  40           HA       ASP  40  -5.135  12.888 -14.012
  324    HB2  ASP  40           HB2      ASP  40  -4.986   9.894 -14.346
  325    HB3  ASP  40           HB3      ASP  40  -6.173  11.006 -15.023
  326    H    TRP  41           H        TRP  41  -4.020  10.140 -12.065
  327    HA   TRP  41           HA       TRP  41  -5.895  10.942  -9.968
  328    HB2  TRP  41           HB2      TRP  41  -5.774   8.231 -11.269
  329    HB3  TRP  41           HB3      TRP  41  -6.355   8.426  -9.617
  330    HD1  TRP  41           HD1      TRP  41  -7.329   9.114 -13.237
  331    HE1  TRP  41           HE1      TRP  41  -9.813   9.785 -13.316
  332    HE3  TRP  41           HE3      TRP  41  -8.214   9.544  -8.220
  333    HZ2  TRP  41           HZ2      TRP  41 -11.874  10.414 -11.493
  334    HZ3  TRP  41           HZ3      TRP  41 -10.468  10.185  -7.471
  335    HH2  TRP  41           HH2      TRP  41 -12.259  10.611  -9.075
  336    H    TRP  42           H        TRP  42  -4.742  11.238  -8.189
  337    HA   TRP  42           HA       TRP  42  -2.234   9.766  -7.845
  338    HB2  TRP  42           HB2      TRP  42  -3.332  12.296  -6.641
  339    HB3  TRP  42           HB3      TRP  42  -1.960  11.462  -5.917
  340    HD1  TRP  42           HD1      TRP  42  -0.750  10.664  -8.918
  341    HE1  TRP  42           HE1      TRP  42   0.545  12.508 -10.162
  342    HE3  TRP  42           HE3      TRP  42  -2.552  14.746  -6.422
  343    HZ2  TRP  42           HZ2      TRP  42   0.772  15.320 -10.094
  344    HZ3  TRP  42           HZ3      TRP  42  -1.744  16.977  -7.073
  345    HH2  TRP  42           HH2      TRP  42  -0.116  17.256  -8.871
  346    H    LYS  43           H        LYS  43  -2.514   7.875  -6.843
  347    HA   LYS  43           HA       LYS  43  -4.619   7.196  -5.136
  348    HB2  LYS  43           HB2      LYS  43  -3.279   5.498  -6.229
  349    HB3  LYS  43           HB3      LYS  43  -1.843   6.019  -5.357
  350    HG2  LYS  43           HG2      LYS  43  -3.461   5.471  -3.285
  351    HG3  LYS  43           HG3      LYS  43  -4.089   4.330  -4.477
  352    HD2  LYS  43           HD2      LYS  43  -1.170   4.414  -4.358
  353    HD3  LYS  43           HD3      LYS  43  -1.925   3.906  -2.845
  354    HE2  LYS  43           HE2      LYS  43  -2.227   1.882  -3.706
  355    HE3  LYS  43           HE3      LYS  43  -3.287   2.581  -4.930
  356    HZ1  LYS  43           HZ1      LYS  43  -1.512   1.346  -5.965
  357    HZ2  LYS  43           HZ2      LYS  43  -1.324   2.992  -6.308
  358    HZ3  LYS  43           HZ3      LYS  43  -0.343   2.253  -5.145
  359    H    VAL  44           H        VAL  44  -5.022   7.571  -3.051
  360    HA   VAL  44           HA       VAL  44  -2.826   8.289  -1.256
  361    HB   VAL  44           HB       VAL  44  -3.955  10.214  -0.362
  362   HG11  VAL  44          HG11      VAL  44  -3.351  11.668  -1.997
  363   HG12  VAL  44          HG12      VAL  44  -2.676  10.201  -2.705
  364   HG13  VAL  44          HG13      VAL  44  -4.242  10.803  -3.249
  365   HG21  VAL  44          HG21      VAL  44  -6.254   9.471  -0.607
  366   HG22  VAL  44          HG22      VAL  44  -6.047  11.063  -1.337
  367   HG23  VAL  44          HG23      VAL  44  -6.139   9.629  -2.360
  368    H    GLU  45           H        GLU  45  -3.685   8.478   1.063
  369    HA   GLU  45           HA       GLU  45  -5.775   6.445   1.492
  370    HB2  GLU  45           HB2      GLU  45  -3.727   5.408   2.091
  371    HB3  GLU  45           HB3      GLU  45  -3.157   6.846   2.927
  372    HG2  GLU  45           HG2      GLU  45  -4.733   6.525   4.695
  373    HG3  GLU  45           HG3      GLU  45  -5.512   5.206   3.823
  374    H    VAL  46           H        VAL  46  -7.449   7.074   2.685
  375    HA   VAL  46           HA       VAL  46  -7.108   9.195   4.670
  376    HB   VAL  46           HB       VAL  46  -9.302  10.210   3.858
  377   HG11  VAL  46          HG11      VAL  46  -6.830  10.999   3.479
  378   HG12  VAL  46          HG12      VAL  46  -7.186  10.608   1.796
  379   HG13  VAL  46          HG13      VAL  46  -8.166  11.800   2.651
  380   HG21  VAL  46          HG21      VAL  46  -8.567   8.963   1.226
  381   HG22  VAL  46          HG22      VAL  46  -9.728   8.214   2.321
  382   HG23  VAL  46          HG23      VAL  46 -10.044   9.821   1.666
  383    H    ASN  47           H        ASN  47  -8.196   8.800   6.497
  384    HA   ASN  47           HA       ASN  47  -9.311   7.496   8.026
  385    HB2  ASN  47           HB2      ASN  47 -11.831   7.310   7.288
  386    HB3  ASN  47           HB3      ASN  47 -11.130   8.879   7.673
  387   HD21  ASN  47          HD21      ASN  47 -12.201   6.764   5.124
  388   HD22  ASN  47          HD22      ASN  47 -12.296   7.971   3.892
  389    H    ASP  48           H        ASP  48  -7.895   5.654   7.199
  390    HA   ASP  48           HA       ASP  48  -7.611   3.513   6.419
  391    HB2  ASP  48           HB2      ASP  48  -9.331   3.587   8.539
  392    HB3  ASP  48           HB3      ASP  48 -10.278   2.687   7.357
  393    H    ARG  49           H        ARG  49  -8.713   5.236   4.436
  394    HA   ARG  49           HA       ARG  49  -9.993   3.222   2.761
  395    HB2  ARG  49           HB2      ARG  49 -11.363   5.533   3.853
  396    HB3  ARG  49           HB3      ARG  49 -11.354   5.570   2.095
  397    HG2  ARG  49           HG2      ARG  49 -12.207   3.146   3.647
  398    HG3  ARG  49           HG3      ARG  49 -13.325   4.439   3.207
  399    HD2  ARG  49           HD2      ARG  49 -11.838   3.737   0.893
  400    HD3  ARG  49           HD3      ARG  49 -12.425   2.248   1.632
  401    HE   ARG  49           HE       ARG  49 -14.422   4.309   1.375
  402   HH11  ARG  49          HH11      ARG  49 -12.858   1.603  -0.159
  403   HH12  ARG  49          HH12      ARG  49 -14.181   1.278  -1.229
  404   HH21  ARG  49          HH21      ARG  49 -16.170   3.892  -0.030
  405   HH22  ARG  49          HH22      ARG  49 -16.064   2.582  -1.156
  406    H    GLN  50           H        GLN  50  -7.958   3.209   1.701
  407    HA   GLN  50           HA       GLN  50  -7.122   5.662   0.364
  408    HB2  GLN  50           HB2      GLN  50  -5.071   4.610  -0.060
  409    HB3  GLN  50           HB3      GLN  50  -5.529   4.020   1.532
  410    HG2  GLN  50           HG2      GLN  50  -5.129   1.989   0.738
  411    HG3  GLN  50           HG3      GLN  50  -6.637   2.160  -0.157
  412   HE21  GLN  50          HE21      GLN  50  -3.165   2.758  -0.360
  413   HE22  GLN  50          HE22      GLN  50  -3.046   2.541  -2.070
  414    H    GLY  51           H        GLY  51  -6.894   5.843  -1.890
  415    HA2  GLY  51           HA2      GLY  51  -7.711   3.746  -3.662
  416    HA3  GLY  51           HA3      GLY  51  -8.962   4.965  -3.464
  417    H    PHE  52           H        PHE  52  -8.907   6.662  -4.782
  418    HA   PHE  52           HA       PHE  52  -6.350   7.517  -5.919
  419    HB2  PHE  52           HB2      PHE  52  -8.790   6.724  -7.508
  420    HB3  PHE  52           HB3      PHE  52  -7.507   7.729  -8.173
  421    HD1  PHE  52           HD1      PHE  52  -8.692   4.632  -8.436
  422    HD2  PHE  52           HD2      PHE  52  -5.071   6.550  -7.284
  423    HE1  PHE  52           HE1      PHE  52  -7.430   2.608  -9.043
  424    HE2  PHE  52           HE2      PHE  52  -3.804   4.531  -7.890
  425    HZ   PHE  52           HZ       PHE  52  -4.983   2.556  -8.771
  426    H    VAL  53           H        VAL  53  -6.132   9.651  -5.813
  427    HA   VAL  53           HA       VAL  53  -8.556  11.281  -5.430
  428    HB   VAL  53           HB       VAL  53  -6.363  11.126  -3.794
  429   HG11  VAL  53          HG11      VAL  53  -5.083  13.147  -4.016
  430   HG12  VAL  53          HG12      VAL  53  -5.007  12.263  -5.540
  431   HG13  VAL  53          HG13      VAL  53  -6.062  13.668  -5.387
  432   HG21  VAL  53          HG21      VAL  53  -8.788  12.406  -3.837
  433   HG22  VAL  53          HG22      VAL  53  -7.622  12.465  -2.515
  434   HG23  VAL  53          HG23      VAL  53  -7.648  13.747  -3.726
  435    HA   PRO  54           HA       PRO  54  -7.742  13.204  -9.321
  436    HB2  PRO  54           HB2      PRO  54  -9.302  15.400  -8.987
  437    HB3  PRO  54           HB3      PRO  54  -9.963  13.793  -9.312
  438    HG2  PRO  54           HG2      PRO  54  -9.702  15.243  -6.706
  439    HG3  PRO  54           HG3      PRO  54 -11.064  14.290  -7.324
  440    HD2  PRO  54           HD2      PRO  54  -9.293  13.305  -5.528
  441    HD3  PRO  54           HD3      PRO  54 -10.086  12.284  -6.745
  442    H    ALA  55           H        ALA  55  -5.853  14.154  -9.743
  443    HA   ALA  55           HA       ALA  55  -4.446  15.824  -7.977
  444    HB1  ALA  55           HB1      ALA  55  -3.411  14.498  -9.793
  445    HB2  ALA  55           HB2      ALA  55  -4.089  15.628 -10.964
  446    HB3  ALA  55           HB3      ALA  55  -2.899  16.185  -9.788
  447    H    ALA  56           H        ALA  56  -6.089  16.670 -11.032
  448    HA   ALA  56           HA       ALA  56  -5.748  19.387 -11.014
  449    HB1  ALA  56           HB1      ALA  56  -8.234  17.910 -11.871
  450    HB2  ALA  56           HB2      ALA  56  -7.782  19.545 -12.354
  451    HB3  ALA  56           HB3      ALA  56  -6.795  18.172 -12.855
  452    H    TYR  57           H        TYR  57  -7.998  17.482  -9.112
  453    HA   TYR  57           HA       TYR  57  -9.202  19.899  -7.994
  454    HB2  TYR  57           HB2      TYR  57  -9.881  16.969  -7.728
  455    HB3  TYR  57           HB3      TYR  57 -10.683  18.228  -6.795
  456    HD1  TYR  57           HD1      TYR  57 -11.022  16.227  -9.580
  457    HD2  TYR  57           HD2      TYR  57 -11.475  20.289  -8.397
  458    HE1  TYR  57           HE1      TYR  57 -12.599  16.585 -11.433
  459    HE2  TYR  57           HE2      TYR  57 -13.054  20.658 -10.246
  460    HH   TYR  57           HH       TYR  57 -13.361  19.316 -12.698
  461    H    VAL  58           H        VAL  58  -6.503  19.534  -7.377
  462    HA   VAL  58           HA       VAL  58  -6.677  19.348  -4.476
  463    HB   VAL  58           HB       VAL  58  -5.809  17.132  -5.762
  464   HG11  VAL  58          HG11      VAL  58  -3.474  17.012  -5.914
  465   HG12  VAL  58          HG12      VAL  58  -3.885  18.561  -6.650
  466   HG13  VAL  58          HG13      VAL  58  -3.250  18.507  -5.005
  467   HG21  VAL  58          HG21      VAL  58  -6.274  17.504  -3.325
  468   HG22  VAL  58          HG22      VAL  58  -4.924  16.421  -3.665
  469   HG23  VAL  58          HG23      VAL  58  -4.617  18.084  -3.164
  470    H    LYS  59           H        LYS  59  -4.504  19.996  -3.480
  471    HA   LYS  59           HA       LYS  59  -2.828  21.685  -5.117
  472    HB2  LYS  59           HB2      LYS  59  -5.062  22.801  -3.724
  473    HB3  LYS  59           HB3      LYS  59  -3.585  23.367  -2.955
  474    HG2  LYS  59           HG2      LYS  59  -2.795  24.321  -4.979
  475    HG3  LYS  59           HG3      LYS  59  -4.067  23.535  -5.918
  476    HD2  LYS  59           HD2      LYS  59  -5.745  24.864  -4.662
  477    HD3  LYS  59           HD3      LYS  59  -4.422  25.708  -3.853
  478    HE2  LYS  59           HE2      LYS  59  -4.103  27.054  -5.601
  479    HE3  LYS  59           HE3      LYS  59  -4.087  25.699  -6.729
  480    HZ1  LYS  59           HZ1      LYS  59  -6.046  26.405  -7.445
  481    HZ2  LYS  59           HZ2      LYS  59  -6.715  26.011  -5.942
  482    HZ3  LYS  59           HZ3      LYS  59  -6.147  27.578  -6.231
  483    H    LYS  60           H        LYS  60  -0.866  21.131  -4.458
  484    HA   LYS  60           HA       LYS  60  -0.296  19.917  -1.978
  485    HB2  LYS  60           HB2      LYS  60   1.017  19.970  -4.276
  486    HB3  LYS  60           HB3      LYS  60   1.849  21.318  -3.512
  487    HG2  LYS  60           HG2      LYS  60   1.633  18.534  -2.384
  488    HG3  LYS  60           HG3      LYS  60   3.041  19.206  -3.210
  489    HD2  LYS  60           HD2      LYS  60   2.683  21.097  -1.346
  490    HD3  LYS  60           HD3      LYS  60   2.010  19.713  -0.482
  491    HE2  LYS  60           HE2      LYS  60   4.264  19.693   0.110
  492    HE3  LYS  60           HE3      LYS  60   4.160  18.493  -1.177
  493    HZ1  LYS  60           HZ1      LYS  60   5.220  19.871  -2.668
  494    HZ2  LYS  60           HZ2      LYS  60   4.841  21.285  -1.820
  495    HZ3  LYS  60           HZ3      LYS  60   6.035  20.240  -1.232
  496    H    LEU  61           H        LEU  61  -1.016  21.209  -0.292
  497    HA   LEU  61           HA       LEU  61   0.516  23.691   0.127
  498    HB2  LEU  61           HB2      LEU  61  -2.218  23.120   1.243
  499    HB3  LEU  61           HB3      LEU  61  -1.339  24.648   1.273
  500    HG   LEU  61           HG       LEU  61  -2.145  23.425  -1.338
  501   HD11  LEU  61          HD11      LEU  61  -4.304  23.629  -0.879
  502   HD12  LEU  61          HD12      LEU  61  -3.950  24.274   0.724
  503   HD13  LEU  61          HD13      LEU  61  -4.054  25.361  -0.661
  504   HD21  LEU  61          HD21      LEU  61  -2.015  25.655  -2.133
  505   HD22  LEU  61          HD22      LEU  61  -1.930  26.307  -0.496
  506   HD23  LEU  61          HD23      LEU  61  -0.576  25.386  -1.150
  507    H    ASP  62           H        ASP  62   1.848  21.634   0.960
  508    HA   ASP  62           HA       ASP  62   1.709  21.820   3.849
  509    HB2  ASP  62           HB2      ASP  62   0.425  19.689   2.692
  510    HB3  ASP  62           HB3      ASP  62   2.027  19.025   3.002
  Start of MODEL    2
    1    H1   MET   1           H        MET   1   1.808  -0.000   0.855
    2    HA   MET   1           HA       MET   1   2.743  -0.862  -1.230
    3    HB2  MET   1           HB2      MET   1   0.307   0.548  -2.283
    4    HB3  MET   1           HB3      MET   1   1.681   0.216  -3.329
    5    HG2  MET   1           HG2      MET   1   1.171  -2.197  -2.053
    6    HG3  MET   1           HG3      MET   1  -0.420  -1.539  -2.428
    7    HE1  MET   1           HE1      MET   1   0.552  -4.402  -4.374
    8    HE2  MET   1           HE2      MET   1   2.180  -3.932  -4.863
    9    HE3  MET   1           HE3      MET   1   1.714  -3.861  -3.163
   10    H    ASP   2           H        ASP   2   1.331   2.349  -1.802
   11    HA   ASP   2           HA       ASP   2   2.259   4.433  -1.861
   12    HB2  ASP   2           HB2      ASP   2   4.834   3.389  -0.727
   13    HB3  ASP   2           HB3      ASP   2   4.076   4.961  -0.495
   14    H    GLU   3           H        GLU   3   5.092   2.315  -2.316
   15    HA   GLU   3           HA       GLU   3   6.591   2.131  -4.017
   16    HB2  GLU   3           HB2      GLU   3   4.179   1.684  -5.123
   17    HB3  GLU   3           HB3      GLU   3   4.668   3.089  -6.060
   18    HG2  GLU   3           HG2      GLU   3   6.761   1.077  -5.825
   19    HG3  GLU   3           HG3      GLU   3   5.301   0.486  -6.617
   20    H    THR   4           H        THR   4   6.458   4.626  -2.636
   21    HA   THR   4           HA       THR   4   7.890   6.260  -4.537
   22    HB   THR   4           HB       THR   4   5.350   7.297  -3.267
   23    HG1  THR   4           HG1      THR   4   6.128   6.603  -5.887
   24   HG21  THR   4          HG21      THR   4   6.326   9.206  -5.032
   25   HG22  THR   4          HG22      THR   4   6.353   9.295  -3.271
   26   HG23  THR   4          HG23      THR   4   7.752   8.669  -4.144
   27    H    GLY   5           H        GLY   5   6.195   7.128  -1.535
   28    HA2  GLY   5           HA2      GLY   5   8.161   6.740   0.331
   29    HA3  GLY   5           HA3      GLY   5   8.584   8.267  -0.430
   30    H    LYS   6           H        LYS   6   7.117  10.039  -0.263
   31    HA   LYS   6           HA       LYS   6   4.806   9.823   1.440
   32    HB2  LYS   6           HB2      LYS   6   5.722  11.566   3.054
   33    HB3  LYS   6           HB3      LYS   6   6.350   9.932   3.223
   34    HG2  LYS   6           HG2      LYS   6   7.919  11.607   1.420
   35    HG3  LYS   6           HG3      LYS   6   7.853  12.206   3.079
   36    HD2  LYS   6           HD2      LYS   6   8.324   9.629   3.589
   37    HD3  LYS   6           HD3      LYS   6   9.071   9.730   1.993
   38    HE2  LYS   6           HE2      LYS   6  10.718  10.169   3.716
   39    HE3  LYS   6           HE3      LYS   6  10.428  11.627   2.768
   40    HZ1  LYS   6           HZ1      LYS   6  10.280  11.368   5.509
   41    HZ2  LYS   6           HZ2      LYS   6   9.807  12.704   4.586
   42    HZ3  LYS   6           HZ3      LYS   6   8.675  11.515   4.993
   43    H    GLU   7           H        GLU   7   3.593  11.813   1.565
   44    HA   GLU   7           HA       GLU   7   4.326  14.223   0.371
   45    HB2  GLU   7           HB2      GLU   7   3.582  12.151  -1.512
   46    HB3  GLU   7           HB3      GLU   7   2.488  13.523  -1.615
   47    HG2  GLU   7           HG2      GLU   7   5.166  14.486  -1.465
   48    HG3  GLU   7           HG3      GLU   7   5.063  13.253  -2.721
   49    H    LEU   8           H        LEU   8   2.610  15.754   0.310
   50    HA   LEU   8           HA       LEU   8   0.034  14.834   1.371
   51    HB2  LEU   8           HB2      LEU   8   2.013  16.329   2.800
   52    HB3  LEU   8           HB3      LEU   8   0.580  17.329   2.565
   53    HG   LEU   8           HG       LEU   8  -0.790  15.785   3.751
   54   HD11  LEU   8          HD11      LEU   8  -0.044  13.681   2.996
   55   HD12  LEU   8          HD12      LEU   8   1.589  13.954   3.603
   56   HD13  LEU   8          HD13      LEU   8   0.258  13.703   4.733
   57   HD21  LEU   8          HD21      LEU   8   0.252  17.166   5.301
   58   HD22  LEU   8          HD22      LEU   8   0.578  15.550   5.927
   59   HD23  LEU   8          HD23      LEU   8   1.832  16.425   5.049
   60    H    VAL   9           H        VAL   9  -1.737  16.174   0.895
   61    HA   VAL   9           HA       VAL   9  -1.289  18.527  -0.764
   62    HB   VAL   9           HB       VAL   9  -2.738  17.781  -2.559
   63   HG11  VAL   9          HG11      VAL   9  -0.510  15.838  -1.965
   64   HG12  VAL   9          HG12      VAL   9  -1.296  16.021  -3.533
   65   HG13  VAL   9          HG13      VAL   9  -0.380  17.361  -2.844
   66   HG21  VAL   9          HG21      VAL   9  -2.927  15.232  -0.966
   67   HG22  VAL   9          HG22      VAL   9  -4.238  16.314  -1.434
   68   HG23  VAL   9          HG23      VAL   9  -3.402  15.360  -2.659
   69    H    LEU  10           H        LEU  10  -3.434  19.582  -1.326
   70    HA   LEU  10           HA       LEU  10  -5.316  19.229   0.914
   71    HB2  LEU  10           HB2      LEU  10  -4.186  21.668  -0.371
   72    HB3  LEU  10           HB3      LEU  10  -5.818  21.736   0.292
   73    HG   LEU  10           HG       LEU  10  -4.023  22.585   1.810
   74   HD11  LEU  10          HD11      LEU  10  -5.035  21.752   3.737
   75   HD12  LEU  10          HD12      LEU  10  -6.282  21.587   2.501
   76   HD13  LEU  10          HD13      LEU  10  -5.349  20.178   3.007
   77   HD21  LEU  10          HD21      LEU  10  -2.532  21.063   2.885
   78   HD22  LEU  10          HD22      LEU  10  -3.270  19.680   2.076
   79   HD23  LEU  10          HD23      LEU  10  -2.344  20.856   1.144
   80    H    ALA  11           H        ALA  11  -7.495  19.263   0.491
   81    HA   ALA  11           HA       ALA  11  -8.328  18.478  -2.102
   82    HB1  ALA  11           HB1      ALA  11 -10.663  18.858  -1.037
   83    HB2  ALA  11           HB2      ALA  11  -9.626  17.575  -0.414
   84    HB3  ALA  11           HB3      ALA  11  -9.750  19.107   0.452
   85    H    LEU  12           H        LEU  12  -8.354  19.841  -3.771
   86    HA   LEU  12           HA       LEU  12  -8.816  22.664  -3.424
   87    HB2  LEU  12           HB2      LEU  12  -7.231  21.589  -5.092
   88    HB3  LEU  12           HB3      LEU  12  -8.664  21.168  -6.027
   89    HG   LEU  12           HG       LEU  12  -9.193  23.555  -6.267
   90   HD11  LEU  12          HD11      LEU  12  -6.752  23.850  -4.561
   91   HD12  LEU  12          HD12      LEU  12  -7.225  25.121  -5.689
   92   HD13  LEU  12          HD13      LEU  12  -8.327  24.628  -4.404
   93   HD21  LEU  12          HD21      LEU  12  -6.917  22.180  -7.382
   94   HD22  LEU  12          HD22      LEU  12  -8.066  23.268  -8.161
   95   HD23  LEU  12          HD23      LEU  12  -6.647  23.923  -7.344
   96    H    TYR  13           H        TYR  13 -10.660  19.872  -4.352
   97    HA   TYR  13           HA       TYR  13 -13.047  21.558  -4.543
   98    HB2  TYR  13           HB2      TYR  13 -12.514  21.230  -6.844
   99    HB3  TYR  13           HB3      TYR  13 -12.161  19.524  -6.590
  100    HD1  TYR  13           HD1      TYR  13 -13.711  18.136  -7.569
  101    HD2  TYR  13           HD2      TYR  13 -15.051  21.782  -5.832
  102    HE1  TYR  13           HE1      TYR  13 -16.026  17.565  -8.171
  103    HE2  TYR  13           HE2      TYR  13 -17.370  21.220  -6.428
  104    HH   TYR  13           HH       TYR  13 -18.156  18.173  -8.080
  105    H    ASP  14           H        ASP  14 -14.802  20.717  -3.565
  106    HA   ASP  14           HA       ASP  14 -14.540  18.535  -1.817
  107    HB2  ASP  14           HB2      ASP  14 -17.093  19.793  -2.846
  108    HB3  ASP  14           HB3      ASP  14 -16.932  18.803  -1.397
  109    H    TYR  15           H        TYR  15 -14.043  16.595  -2.698
  110    HA   TYR  15           HA       TYR  15 -15.742  15.575  -4.866
  111    HB2  TYR  15           HB2      TYR  15 -13.001  15.541  -4.587
  112    HB3  TYR  15           HB3      TYR  15 -13.458  13.922  -4.071
  113    HD1  TYR  15           HD1      TYR  15 -14.800  12.479  -5.643
  114    HD2  TYR  15           HD2      TYR  15 -13.005  16.136  -6.871
  115    HE1  TYR  15           HE1      TYR  15 -15.001  11.782  -7.993
  116    HE2  TYR  15           HE2      TYR  15 -13.202  15.450  -9.225
  117    HH   TYR  15           HH       TYR  15 -13.827  12.320 -10.180
  118    H    GLN  16           H        GLN  16 -17.205  14.050  -4.479
  119    HA   GLN  16           HA       GLN  16 -17.286  12.837  -1.820
  120    HB2  GLN  16           HB2      GLN  16 -19.279  13.546  -3.865
  121    HB3  GLN  16           HB3      GLN  16 -19.571  12.008  -3.064
  122    HG2  GLN  16           HG2      GLN  16 -18.883  14.087  -1.175
  123    HG3  GLN  16           HG3      GLN  16 -20.286  14.518  -2.153
  124   HE21  GLN  16          HE21      GLN  16 -22.186  13.766  -1.536
  125   HE22  GLN  16          HE22      GLN  16 -22.449  12.473  -0.421
  126    H    GLU  17           H        GLU  17 -16.608  12.069  -5.099
  127    HA   GLU  17           HA       GLU  17 -15.915  10.159  -6.123
  128    HB2  GLU  17           HB2      GLU  17 -15.760   8.959  -3.356
  129    HB3  GLU  17           HB3      GLU  17 -14.916   8.414  -4.798
  130    HG2  GLU  17           HG2      GLU  17 -14.482  11.057  -3.426
  131    HG3  GLU  17           HG3      GLU  17 -13.457   9.633  -3.252
  132    H    LYS  18           H        LYS  18 -16.376   7.464  -5.508
  133    HA   LYS  18           HA       LYS  18 -19.037   6.880  -4.804
  134    HB2  LYS  18           HB2      LYS  18 -18.629   7.822  -7.518
  135    HB3  LYS  18           HB3      LYS  18 -19.278   6.187  -7.499
  136    HG2  LYS  18           HG2      LYS  18 -21.298   6.923  -6.969
  137    HG3  LYS  18           HG3      LYS  18 -20.667   7.846  -5.603
  138    HD2  LYS  18           HD2      LYS  18 -20.689   9.779  -6.749
  139    HD3  LYS  18           HD3      LYS  18 -20.082   9.022  -8.223
  140    HE2  LYS  18           HE2      LYS  18 -22.825   8.274  -7.499
  141    HE3  LYS  18           HE3      LYS  18 -22.609   9.980  -7.887
  142    HZ1  LYS  18           HZ1      LYS  18 -21.455   9.195  -9.958
  143    HZ2  LYS  18           HZ2      LYS  18 -22.022   7.640  -9.606
  144    HZ3  LYS  18           HZ3      LYS  18 -23.119   8.895  -9.896
  145    H    SER  19           H        SER  19 -16.205   6.022  -6.696
  146    HA   SER  19           HA       SER  19 -16.790   3.181  -6.484
  147    HB2  SER  19           HB2      SER  19 -15.155   4.839  -8.189
  148    HB3  SER  19           HB3      SER  19 -14.190   3.530  -7.507
  149    HG   SER  19           HG       SER  19 -15.139   2.757  -9.356
  150    HA   PRO  20           HA       PRO  20 -14.328   2.309  -2.961
  151    HB2  PRO  20           HB2      PRO  20 -13.183  -0.059  -3.633
  152    HB3  PRO  20           HB3      PRO  20 -14.898   0.100  -3.234
  153    HG2  PRO  20           HG2      PRO  20 -13.583  -0.042  -5.919
  154    HG3  PRO  20           HG3      PRO  20 -15.060  -0.843  -5.353
  155    HD2  PRO  20           HD2      PRO  20 -15.109   1.393  -6.878
  156    HD3  PRO  20           HD3      PRO  20 -16.350   1.042  -5.658
  157    H    ARG  21           H        ARG  21 -12.778   2.436  -6.078
  158    HA   ARG  21           HA       ARG  21 -10.113   2.523  -4.905
  159    HB2  ARG  21           HB2      ARG  21  -9.289   2.511  -7.171
  160    HB3  ARG  21           HB3      ARG  21 -10.527   1.273  -7.013
  161    HG2  ARG  21           HG2      ARG  21 -11.523   3.881  -7.901
  162    HG3  ARG  21           HG3      ARG  21 -10.400   3.097  -9.014
  163    HD2  ARG  21           HD2      ARG  21 -12.983   1.995  -7.926
  164    HD3  ARG  21           HD3      ARG  21 -12.615   2.416  -9.598
  165    HE   ARG  21           HE       ARG  21 -10.769   0.523  -9.000
  166   HH11  ARG  21          HH11      ARG  21 -14.239   0.670  -8.751
  167   HH12  ARG  21          HH12      ARG  21 -14.458  -1.032  -8.994
  168   HH21  ARG  21          HH21      ARG  21 -11.046  -1.718  -9.322
  169   HH22  ARG  21          HH22      ARG  21 -12.641  -2.389  -9.318
  170    H    GLU  22           H        GLU  22 -12.315   4.652  -4.671
  171    HA   GLU  22           HA       GLU  22 -10.726   6.928  -5.657
  172    HB2  GLU  22           HB2      GLU  22 -13.678   6.556  -5.271
  173    HB3  GLU  22           HB3      GLU  22 -12.979   8.168  -5.254
  174    HG2  GLU  22           HG2      GLU  22 -12.043   7.760  -7.493
  175    HG3  GLU  22           HG3      GLU  22 -12.826   6.181  -7.508
  176    H    VAL  23           H        VAL  23 -10.789   8.884  -4.296
  177    HA   VAL  23           HA       VAL  23 -10.981   8.217  -1.430
  178    HB   VAL  23           HB       VAL  23  -8.850   9.732  -2.903
  179   HG11  VAL  23          HG11      VAL  23  -9.915  10.283  -0.215
  180   HG12  VAL  23          HG12      VAL  23  -8.161  10.129  -0.320
  181   HG13  VAL  23          HG13      VAL  23  -9.002  11.320  -1.312
  182   HG21  VAL  23          HG21      VAL  23  -8.109   8.061  -0.641
  183   HG22  VAL  23          HG22      VAL  23  -9.006   7.176  -1.875
  184   HG23  VAL  23          HG23      VAL  23  -7.527   8.035  -2.306
  185    H    THR  24           H        THR  24 -12.645   9.282  -0.592
  186    HA   THR  24           HA       THR  24 -13.719  11.661  -1.754
  187    HB   THR  24           HB       THR  24 -14.333  10.379   0.916
  188    HG1  THR  24           HG1      THR  24 -15.932   9.318  -0.173
  189   HG21  THR  24          HG21      THR  24 -16.490  11.870  -0.262
  190   HG22  THR  24          HG22      THR  24 -15.743  12.057   1.324
  191   HG23  THR  24          HG23      THR  24 -15.074  12.904  -0.071
  192    H    MET  25           H        MET  25 -13.083  13.684  -1.431
  193    HA   MET  25           HA       MET  25 -11.745  14.361   1.100
  194    HB2  MET  25           HB2      MET  25 -10.106  15.676  -0.015
  195    HB3  MET  25           HB3      MET  25 -10.131  14.114  -0.822
  196    HG2  MET  25           HG2      MET  25 -11.958  15.996  -2.045
  197    HG3  MET  25           HG3      MET  25 -10.302  16.597  -2.016
  198    HE1  MET  25           HE1      MET  25  -8.674  16.166  -3.475
  199    HE2  MET  25           HE2      MET  25  -8.656  15.030  -4.824
  200    HE3  MET  25           HE3      MET  25  -9.774  16.394  -4.834
  201    H    LYS  26           H        LYS  26 -11.981  16.539   1.793
  202    HA   LYS  26           HA       LYS  26 -14.291  17.904   0.575
  203    HB2  LYS  26           HB2      LYS  26 -13.495  17.417   3.392
  204    HB3  LYS  26           HB3      LYS  26 -14.214  18.982   3.036
  205    HG2  LYS  26           HG2      LYS  26 -15.613  16.613   1.962
  206    HG3  LYS  26           HG3      LYS  26 -15.643  16.831   3.713
  207    HD2  LYS  26           HD2      LYS  26 -16.843  18.787   3.585
  208    HD3  LYS  26           HD3      LYS  26 -16.252  19.168   1.966
  209    HE2  LYS  26           HE2      LYS  26 -17.621  16.870   1.501
  210    HE3  LYS  26           HE3      LYS  26 -18.569  17.568   2.812
  211    HZ1  LYS  26           HZ1      LYS  26 -19.557  18.676   1.151
  212    HZ2  LYS  26           HZ2      LYS  26 -18.206  19.691   1.224
  213    HZ3  LYS  26           HZ3      LYS  26 -18.272  18.452   0.074
  214    H    LYS  27           H        LYS  27 -13.975  19.867  -0.245
  215    HA   LYS  27           HA       LYS  27 -11.603  21.066  -0.732
  216    HB2  LYS  27           HB2      LYS  27 -13.881  21.770  -1.571
  217    HB3  LYS  27           HB3      LYS  27 -14.083  22.654  -0.064
  218    HG2  LYS  27           HG2      LYS  27 -12.077  23.980  -0.608
  219    HG3  LYS  27           HG3      LYS  27 -11.966  23.131  -2.152
  220    HD2  LYS  27           HD2      LYS  27 -13.078  25.132  -2.657
  221    HD3  LYS  27           HD3      LYS  27 -14.363  23.926  -2.557
  222    HE2  LYS  27           HE2      LYS  27 -15.336  24.975  -0.845
  223    HE3  LYS  27           HE3      LYS  27 -13.806  25.148   0.014
  224    HZ1  LYS  27           HZ1      LYS  27 -14.680  26.911  -2.208
  225    HZ2  LYS  27           HZ2      LYS  27 -14.864  27.285  -0.568
  226    HZ3  LYS  27           HZ3      LYS  27 -13.315  27.114  -1.229
  227    H    GLY  28           H        GLY  28 -10.022  21.331   0.735
  228    HA2  GLY  28           HA2      GLY  28  -9.072  22.938   2.276
  229    HA3  GLY  28           HA3      GLY  28 -10.639  23.028   3.066
  230    H    ASP  29           H        ASP  29  -9.203  19.999   2.081
  231    HA   ASP  29           HA       ASP  29  -8.621  19.394   4.905
  232    HB2  ASP  29           HB2      ASP  29  -9.869  17.504   4.888
  233    HB3  ASP  29           HB3      ASP  29 -10.719  18.308   3.571
  234    H    ILE  30           H        ILE  30  -7.078  17.613   5.208
  235    HA   ILE  30           HA       ILE  30  -5.064  17.615   3.062
  236    HB   ILE  30           HB       ILE  30  -4.867  17.947   5.925
  237   HG12  ILE  30          HG12      ILE  30  -3.848  19.261   3.943
  238   HG13  ILE  30          HG13      ILE  30  -2.859  19.024   5.380
  239   HG21  ILE  30          HG21      ILE  30  -2.877  16.505   6.253
  240   HG22  ILE  30          HG22      ILE  30  -4.369  15.595   6.018
  241   HG23  ILE  30          HG23      ILE  30  -3.212  15.748   4.696
  242   HD11  ILE  30          HD11      ILE  30  -1.446  17.564   4.330
  243   HD12  ILE  30          HD12      ILE  30  -2.659  17.065   3.151
  244   HD13  ILE  30          HD13      ILE  30  -1.874  18.637   2.997
  245    H    LEU  31           H        LEU  31  -4.163  15.717   2.343
  246    HA   LEU  31           HA       LEU  31  -5.224  13.215   3.463
  247    HB2  LEU  31           HB2      LEU  31  -4.902  12.652   0.797
  248    HB3  LEU  31           HB3      LEU  31  -6.433  12.958   1.614
  249    HG   LEU  31           HG       LEU  31  -4.894  15.245   0.460
  250   HD11  LEU  31          HD11      LEU  31  -5.163  13.307  -1.217
  251   HD12  LEU  31          HD12      LEU  31  -6.877  13.721  -1.185
  252   HD13  LEU  31          HD13      LEU  31  -5.689  14.921  -1.696
  253   HD21  LEU  31          HD21      LEU  31  -7.393  14.863   1.733
  254   HD22  LEU  31          HD22      LEU  31  -6.714  16.352   1.074
  255   HD23  LEU  31          HD23      LEU  31  -7.710  15.310   0.056
  256    H    THR  32           H        THR  32  -3.936  11.305   2.892
  257    HA   THR  32           HA       THR  32  -1.087  11.989   2.819
  258    HB   THR  32           HB       THR  32  -2.160   9.250   3.434
  259    HG1  THR  32           HG1      THR  32  -1.920  11.458   5.223
  260   HG21  THR  32          HG21      THR  32  -0.102   8.850   4.387
  261   HG22  THR  32          HG22      THR  32   0.348   9.958   3.091
  262   HG23  THR  32          HG23      THR  32   0.185  10.553   4.743
  263    H    LEU  33           H        LEU  33  -0.198  11.932   0.862
  264    HA   LEU  33           HA       LEU  33  -1.273  10.557  -1.354
  265    HB2  LEU  33           HB2      LEU  33   1.216  12.050  -0.765
  266    HB3  LEU  33           HB3      LEU  33   1.246  10.957  -2.147
  267    HG   LEU  33           HG       LEU  33   0.721  13.376  -2.642
  268   HD11  LEU  33          HD11      LEU  33   0.047  11.205  -3.962
  269   HD12  LEU  33          HD12      LEU  33  -1.583  11.708  -3.514
  270   HD13  LEU  33          HD13      LEU  33  -0.552  12.791  -4.449
  271   HD21  LEU  33          HD21      LEU  33  -1.643  14.043  -2.274
  272   HD22  LEU  33          HD22      LEU  33  -1.844  12.624  -1.247
  273   HD23  LEU  33          HD23      LEU  33  -0.711  13.894  -0.785
  274    H    LEU  34           H        LEU  34  -0.627   8.682  -2.399
  275    HA   LEU  34           HA       LEU  34   1.109   6.890  -0.830
  276    HB2  LEU  34           HB2      LEU  34  -1.572   6.518  -1.944
  277    HB3  LEU  34           HB3      LEU  34  -0.450   5.214  -2.327
  278    HG   LEU  34           HG       LEU  34  -0.630   6.075   0.509
  279   HD11  LEU  34          HD11      LEU  34  -2.882   5.933   0.434
  280   HD12  LEU  34          HD12      LEU  34  -2.884   4.981  -1.050
  281   HD13  LEU  34          HD13      LEU  34  -2.549   4.203   0.497
  282   HD21  LEU  34          HD21      LEU  34   0.887   4.275  -0.427
  283   HD22  LEU  34          HD22      LEU  34  -0.125   3.812   0.941
  284   HD23  LEU  34          HD23      LEU  34  -0.571   3.319  -0.693
  285    H    ASN  35           H        ASN  35  -0.272   7.152  -4.113
  286    HA   ASN  35           HA       ASN  35   2.138   5.975  -5.230
  287    HB2  ASN  35           HB2      ASN  35  -0.029   5.243  -6.098
  288    HB3  ASN  35           HB3      ASN  35  -0.420   6.897  -6.561
  289   HD21  ASN  35          HD21      ASN  35   2.616   5.127  -6.900
  290   HD22  ASN  35          HD22      ASN  35   2.685   5.224  -8.624
  291    H    SER  36           H        SER  36   0.198   8.788  -6.244
  292    HA   SER  36           HA       SER  36   0.788  10.879  -6.926
  293    HB2  SER  36           HB2      SER  36   2.800  10.178  -4.960
  294    HB3  SER  36           HB3      SER  36   3.477  11.214  -6.216
  295    HG   SER  36           HG       SER  36   2.401  12.820  -5.410
  296    H    THR  37           H        THR  37   1.551   8.279  -8.361
  297    HA   THR  37           HA       THR  37   3.683   9.288 -10.101
  298    HB   THR  37           HB       THR  37   2.402   6.548 -10.034
  299    HG1  THR  37           HG1      THR  37   5.059   7.065  -9.276
  300   HG21  THR  37          HG21      THR  37   4.876   7.508 -11.478
  301   HG22  THR  37          HG22      THR  37   4.234   5.865 -11.480
  302   HG23  THR  37          HG23      THR  37   3.322   7.170 -12.239
  303    H    ASN  38           H        ASN  38   0.292   8.406 -10.096
  304    HA   ASN  38           HA       ASN  38   0.088   8.951 -12.964
  305    HB2  ASN  38           HB2      ASN  38  -1.039   6.943 -12.277
  306    HB3  ASN  38           HB3      ASN  38  -1.872   7.791 -10.977
  307   HD21  ASN  38          HD21      ASN  38  -1.371   8.622 -14.382
  308   HD22  ASN  38          HD22      ASN  38  -3.048   8.757 -14.774
  309    H    LYS  39           H        LYS  39   0.126  11.125 -13.232
  310    HA   LYS  39           HA       LYS  39  -0.805  13.113 -11.599
  311    HB2  LYS  39           HB2      LYS  39   0.456  13.670 -13.556
  312    HB3  LYS  39           HB3      LYS  39  -0.766  12.976 -14.614
  313    HG2  LYS  39           HG2      LYS  39  -2.337  14.734 -13.926
  314    HG3  LYS  39           HG3      LYS  39  -1.075  15.443 -12.915
  315    HD2  LYS  39           HD2      LYS  39  -0.022  15.043 -15.531
  316    HD3  LYS  39           HD3      LYS  39  -1.574  15.872 -15.673
  317    HE2  LYS  39           HE2      LYS  39  -0.837  17.596 -14.155
  318    HE3  LYS  39           HE3      LYS  39   0.669  16.733 -13.849
  319    HZ1  LYS  39           HZ1      LYS  39   1.549  17.839 -15.534
  320    HZ2  LYS  39           HZ2      LYS  39   0.483  17.063 -16.594
  321    HZ3  LYS  39           HZ3      LYS  39   0.065  18.556 -15.917
  322    H    ASP  40           H        ASP  40  -2.651  11.481 -14.169
  323    HA   ASP  40           HA       ASP  40  -5.043  12.814 -13.973
  324    HB2  ASP  40           HB2      ASP  40  -4.637  11.111 -15.667
  325    HB3  ASP  40           HB3      ASP  40  -4.609   9.855 -14.432
  326    H    TRP  41           H        TRP  41  -3.987  10.025 -12.041
  327    HA   TRP  41           HA       TRP  41  -5.869  10.848  -9.953
  328    HB2  TRP  41           HB2      TRP  41  -5.724   8.138 -11.251
  329    HB3  TRP  41           HB3      TRP  41  -6.311   8.325  -9.601
  330    HD1  TRP  41           HD1      TRP  41  -7.302   8.933 -13.217
  331    HE1  TRP  41           HE1      TRP  41  -9.781   9.621 -13.303
  332    HE3  TRP  41           HE3      TRP  41  -8.150   9.544  -8.212
  333    HZ2  TRP  41           HZ2      TRP  41 -11.825  10.330 -11.490
  334    HZ3  TRP  41           HZ3      TRP  41 -10.394  10.229  -7.471
  335    HH2  TRP  41           HH2      TRP  41 -12.192  10.614  -9.077
  336    H    TRP  42           H        TRP  42  -4.734  11.161  -8.165
  337    HA   TRP  42           HA       TRP  42  -2.226   9.697  -7.784
  338    HB2  TRP  42           HB2      TRP  42  -3.341  12.237  -6.620
  339    HB3  TRP  42           HB3      TRP  42  -1.985  11.408  -5.860
  340    HD1  TRP  42           HD1      TRP  42  -0.744  10.579  -8.853
  341    HE1  TRP  42           HE1      TRP  42   0.587  12.406 -10.083
  342    HE3  TRP  42           HE3      TRP  42  -2.525  14.683  -6.380
  343    HZ2  TRP  42           HZ2      TRP  42   0.848  15.216 -10.013
  344    HZ3  TRP  42           HZ3      TRP  42  -1.683  16.904  -7.022
  345    HH2  TRP  42           HH2      TRP  42  -0.031  17.163  -8.801
  346    H    LYS  43           H        LYS  43  -2.533   7.806  -6.785
  347    HA   LYS  43           HA       LYS  43  -4.649   7.144  -5.087
  348    HB2  LYS  43           HB2      LYS  43  -3.294   5.444  -6.172
  349    HB3  LYS  43           HB3      LYS  43  -1.876   5.953  -5.265
  350    HG2  LYS  43           HG2      LYS  43  -3.565   5.409  -3.239
  351    HG3  LYS  43           HG3      LYS  43  -4.140   4.262  -4.451
  352    HD2  LYS  43           HD2      LYS  43  -1.214   4.423  -4.122
  353    HD3  LYS  43           HD3      LYS  43  -2.105   3.762  -2.749
  354    HE2  LYS  43           HE2      LYS  43  -1.837   1.837  -3.916
  355    HE3  LYS  43           HE3      LYS  43  -3.301   2.409  -4.714
  356    HZ1  LYS  43           HZ1      LYS  43  -2.147   3.032  -6.583
  357    HZ2  LYS  43           HZ2      LYS  43  -0.671   3.192  -5.772
  358    HZ3  LYS  43           HZ3      LYS  43  -1.283   1.653  -6.120
  359    H    VAL  44           H        VAL  44  -5.060   7.513  -3.001
  360    HA   VAL  44           HA       VAL  44  -2.871   8.249  -1.202
  361    HB   VAL  44           HB       VAL  44  -4.025  10.163  -0.309
  362   HG11  VAL  44          HG11      VAL  44  -3.423  11.624  -1.939
  363   HG12  VAL  44          HG12      VAL  44  -2.727  10.163  -2.641
  364   HG13  VAL  44          HG13      VAL  44  -4.294  10.749  -3.199
  365   HG21  VAL  44          HG21      VAL  44  -6.315   9.419  -0.560
  366   HG22  VAL  44          HG22      VAL  44  -6.115  10.997  -1.323
  367   HG23  VAL  44          HG23      VAL  44  -6.191   9.540  -2.315
  368    H    GLU  45           H        GLU  45  -3.737   8.433   1.115
  369    HA   GLU  45           HA       GLU  45  -5.808   6.382   1.544
  370    HB2  GLU  45           HB2      GLU  45  -3.736   5.378   2.144
  371    HB3  GLU  45           HB3      GLU  45  -3.206   6.818   3.001
  372    HG2  GLU  45           HG2      GLU  45  -4.839   6.450   4.729
  373    HG3  GLU  45           HG3      GLU  45  -5.517   5.085   3.844
  374    H    VAL  46           H        VAL  46  -7.502   7.019   2.699
  375    HA   VAL  46           HA       VAL  46  -7.186   9.129   4.701
  376    HB   VAL  46           HB       VAL  46  -9.370  10.147   3.865
  377   HG11  VAL  46          HG11      VAL  46  -7.236  10.562   1.829
  378   HG12  VAL  46          HG12      VAL  46  -8.217  11.746   2.693
  379   HG13  VAL  46          HG13      VAL  46  -6.887  10.931   3.518
  380   HG21  VAL  46          HG21      VAL  46 -10.099   9.757   1.676
  381   HG22  VAL  46          HG22      VAL  46  -8.604   8.937   1.227
  382   HG23  VAL  46          HG23      VAL  46  -9.754   8.146   2.306
  383    H    ASN  47           H        ASN  47  -8.325   8.751   6.506
  384    HA   ASN  47           HA       ASN  47  -9.465   7.451   8.018
  385    HB2  ASN  47           HB2      ASN  47 -11.962   7.221   7.210
  386    HB3  ASN  47           HB3      ASN  47 -11.294   8.801   7.610
  387   HD21  ASN  47          HD21      ASN  47 -12.287   6.670   5.047
  388   HD22  ASN  47          HD22      ASN  47 -12.353   7.869   3.805
  389    H    ASP  48           H        ASP  48  -7.989   5.630   7.208
  390    HA   ASP  48           HA       ASP  48  -7.662   3.486   6.454
  391    HB2  ASP  48           HB2      ASP  48  -9.142   3.430   8.616
  392    HB3  ASP  48           HB3      ASP  48 -10.396   2.865   7.514
  393    H    ARG  49           H        ARG  49  -8.779   5.170   4.446
  394    HA   ARG  49           HA       ARG  49 -10.004   3.118   2.778
  395    HB2  ARG  49           HB2      ARG  49 -11.434   5.406   3.842
  396    HB3  ARG  49           HB3      ARG  49 -11.416   5.425   2.084
  397    HG2  ARG  49           HG2      ARG  49 -12.219   2.996   3.655
  398    HG3  ARG  49           HG3      ARG  49 -13.365   4.259   3.200
  399    HD2  ARG  49           HD2      ARG  49 -11.851   3.569   0.899
  400    HD3  ARG  49           HD3      ARG  49 -12.416   2.076   1.648
  401    HE   ARG  49           HE       ARG  49 -13.996   3.996   0.257
  402   HH11  ARG  49          HH11      ARG  49 -14.052   1.688   2.863
  403   HH12  ARG  49          HH12      ARG  49 -15.761   1.421   2.763
  404   HH21  ARG  49          HH21      ARG  49 -16.247   3.653   0.116
  405   HH22  ARG  49          HH22      ARG  49 -17.008   2.539   1.200
  406    H    GLN  50           H        GLN  50  -7.971   3.139   1.722
  407    HA   GLN  50           HA       GLN  50  -7.159   5.602   0.393
  408    HB2  GLN  50           HB2      GLN  50  -5.119   4.507  -0.120
  409    HB3  GLN  50           HB3      GLN  50  -5.518   4.048   1.530
  410    HG2  GLN  50           HG2      GLN  50  -5.079   1.975   0.836
  411    HG3  GLN  50           HG3      GLN  50  -6.691   2.045   0.127
  412   HE21  GLN  50          HE21      GLN  50  -3.302   2.770  -0.582
  413   HE22  GLN  50          HE22      GLN  50  -3.385   2.370  -2.261
  414    H    GLY  51           H        GLY  51  -6.973   5.824  -1.851
  415    HA2  GLY  51           HA2      GLY  51  -7.791   3.723  -3.634
  416    HA3  GLY  51           HA3      GLY  51  -9.022   4.962  -3.436
  417    H    PHE  52           H        PHE  52  -8.942   6.652  -4.761
  418    HA   PHE  52           HA       PHE  52  -6.371   7.481  -5.882
  419    HB2  PHE  52           HB2      PHE  52  -8.801   6.695  -7.491
  420    HB3  PHE  52           HB3      PHE  52  -7.506   7.690  -8.148
  421    HD1  PHE  52           HD1      PHE  52  -5.083   6.510  -7.253
  422    HD2  PHE  52           HD2      PHE  52  -8.708   4.590  -8.389
  423    HE1  PHE  52           HE1      PHE  52  -3.821   4.481  -7.838
  424    HE2  PHE  52           HE2      PHE  52  -7.451   2.558  -8.975
  425    HZ   PHE  52           HZ       PHE  52  -5.005   2.501  -8.699
  426    H    VAL  53           H        VAL  53  -6.141   9.613  -5.777
  427    HA   VAL  53           HA       VAL  53  -8.558  11.260  -5.428
  428    HB   VAL  53           HB       VAL  53  -6.379  11.098  -3.770
  429   HG11  VAL  53          HG11      VAL  53  -5.093  13.115  -3.984
  430   HG12  VAL  53          HG12      VAL  53  -5.006  12.229  -5.506
  431   HG13  VAL  53          HG13      VAL  53  -6.059  13.637  -5.364
  432   HG21  VAL  53          HG21      VAL  53  -8.801  12.388  -3.841
  433   HG22  VAL  53          HG22      VAL  53  -7.651  12.436  -2.505
  434   HG23  VAL  53          HG23      VAL  53  -7.654  13.722  -3.711
  435    HA   PRO  54           HA       PRO  54  -7.690  13.164  -9.316
  436    HB2  PRO  54           HB2      PRO  54  -9.238  15.372  -9.006
  437    HB3  PRO  54           HB3      PRO  54  -9.906  13.769  -9.332
  438    HG2  PRO  54           HG2      PRO  54  -9.663  15.226  -6.728
  439    HG3  PRO  54           HG3      PRO  54 -11.024  14.281  -7.358
  440    HD2  PRO  54           HD2      PRO  54  -9.279  13.290  -5.540
  441    HD3  PRO  54           HD3      PRO  54 -10.067  12.271  -6.762
  442    H    ALA  55           H        ALA  55  -5.784  14.091  -9.713
  443    HA   ALA  55           HA       ALA  55  -4.388  15.763  -7.940
  444    HB1  ALA  55           HB1      ALA  55  -2.811  16.095  -9.726
  445    HB2  ALA  55           HB2      ALA  55  -3.344  14.414  -9.738
  446    HB3  ALA  55           HB3      ALA  55  -3.989  15.552 -10.921
  447    H    ALA  56           H        ALA  56  -5.989  16.599 -11.020
  448    HA   ALA  56           HA       ALA  56  -5.625  19.313 -11.020
  449    HB1  ALA  56           HB1      ALA  56  -7.646  19.478 -12.380
  450    HB2  ALA  56           HB2      ALA  56  -6.666  18.093 -12.861
  451    HB3  ALA  56           HB3      ALA  56  -8.117  17.851 -11.887
  452    H    TYR  57           H        TYR  57  -7.915  17.446  -9.128
  453    HA   TYR  57           HA       TYR  57  -9.100  19.884  -8.037
  454    HB2  TYR  57           HB2      TYR  57  -9.820  16.965  -7.758
  455    HB3  TYR  57           HB3      TYR  57 -10.618  18.242  -6.847
  456    HD1  TYR  57           HD1      TYR  57 -10.933  16.226  -9.629
  457    HD2  TYR  57           HD2      TYR  57 -11.375  20.295  -8.467
  458    HE1  TYR  57           HE1      TYR  57 -12.480  16.587 -11.506
  459    HE2  TYR  57           HE2      TYR  57 -12.925  20.667 -10.340
  460    HH   TYR  57           HH       TYR  57 -13.925  18.008 -12.454
  461    H    VAL  58           H        VAL  58  -6.414  19.489  -7.388
  462    HA   VAL  58           HA       VAL  58  -6.621  19.325  -4.488
  463    HB   VAL  58           HB       VAL  58  -5.776  17.084  -5.748
  464   HG11  VAL  58          HG11      VAL  58  -3.203  18.421  -4.970
  465   HG12  VAL  58          HG12      VAL  58  -3.443  16.924  -5.872
  466   HG13  VAL  58          HG13      VAL  58  -3.818  18.476  -6.623
  467   HG21  VAL  58          HG21      VAL  58  -6.263  17.487  -3.318
  468   HG22  VAL  58          HG22      VAL  58  -4.933  16.373  -3.636
  469   HG23  VAL  58          HG23      VAL  58  -4.594  18.033  -3.144
  470    H    LYS  59           H        LYS  59  -4.446  19.943  -3.474
  471    HA   LYS  59           HA       LYS  59  -2.724  21.590  -5.105
  472    HB2  LYS  59           HB2      LYS  59  -4.944  22.747  -3.684
  473    HB3  LYS  59           HB3      LYS  59  -3.432  23.331  -3.001
  474    HG2  LYS  59           HG2      LYS  59  -2.834  23.691  -5.549
  475    HG3  LYS  59           HG3      LYS  59  -4.591  23.760  -5.698
  476    HD2  LYS  59           HD2      LYS  59  -4.232  25.364  -3.562
  477    HD3  LYS  59           HD3      LYS  59  -2.715  25.647  -4.420
  478    HE2  LYS  59           HE2      LYS  59  -3.727  26.855  -6.000
  479    HE3  LYS  59           HE3      LYS  59  -5.008  25.661  -6.201
  480    HZ1  LYS  59           HZ1      LYS  59  -6.363  26.736  -4.768
  481    HZ2  LYS  59           HZ2      LYS  59  -5.101  27.302  -3.793
  482    HZ3  LYS  59           HZ3      LYS  59  -5.454  28.078  -5.254
  483    H    LYS  60           H        LYS  60  -0.776  21.022  -4.420
  484    HA   LYS  60           HA       LYS  60  -0.254  19.812  -1.927
  485    HB2  LYS  60           HB2      LYS  60   1.087  19.835  -4.210
  486    HB3  LYS  60           HB3      LYS  60   1.930  21.173  -3.442
  487    HG2  LYS  60           HG2      LYS  60   1.660  18.397  -2.307
  488    HG3  LYS  60           HG3      LYS  60   3.089  19.048  -3.115
  489    HD2  LYS  60           HD2      LYS  60   2.706  20.950  -1.253
  490    HD3  LYS  60           HD3      LYS  60   2.039  19.556  -0.399
  491    HE2  LYS  60           HE2      LYS  60   4.387  19.784   0.123
  492    HE3  LYS  60           HE3      LYS  60   4.132  18.326  -0.836
  493    HZ1  LYS  60           HZ1      LYS  60   4.652  20.514  -2.541
  494    HZ2  LYS  60           HZ2      LYS  60   5.871  20.417  -1.372
  495    HZ3  LYS  60           HZ3      LYS  60   5.533  19.082  -2.354
  496    H    LEU  61           H        LEU  61  -0.982  21.129  -0.261
  497    HA   LEU  61           HA       LEU  61   0.581  23.591   0.162
  498    HB2  LEU  61           HB2      LEU  61  -2.170  23.060   1.257
  499    HB3  LEU  61           HB3      LEU  61  -1.273  24.577   1.282
  500    HG   LEU  61           HG       LEU  61  -2.077  23.342  -1.324
  501   HD11  LEU  61          HD11      LEU  61  -4.235  23.590  -0.884
  502   HD12  LEU  61          HD12      LEU  61  -3.880  24.243   0.716
  503   HD13  LEU  61          HD13      LEU  61  -3.955  25.319  -0.679
  504   HD21  LEU  61          HD21      LEU  61  -1.089  25.942  -0.329
  505   HD22  LEU  61          HD22      LEU  61  -0.796  25.125  -1.865
  506   HD23  LEU  61          HD23      LEU  61  -2.306  25.998  -1.605
  507    H    ASP  62           H        ASP  62   1.872  21.511   1.018
  508    HA   ASP  62           HA       ASP  62   1.720  21.725   3.903
  509    HB2  ASP  62           HB2      ASP  62   0.400  19.609   2.754
  510    HB3  ASP  62           HB3      ASP  62   1.983  18.916   3.092
  Start of MODEL    3
    1    H1   MET   1           H        MET   1   1.129   0.927   0.312
    2    HA   MET   1           HA       MET   1   2.885  -0.770  -1.283
    3    HB2  MET   1           HB2      MET   1   0.435   0.629  -2.321
    4    HB3  MET   1           HB3      MET   1   1.804   0.299  -3.375
    5    HG2  MET   1           HG2      MET   1   1.231  -2.098  -2.017
    6    HG3  MET   1           HG3      MET   1  -0.309  -1.435  -2.560
    7    HE1  MET   1           HE1      MET   1  -1.243  -1.693  -4.702
    8    HE2  MET   1           HE2      MET   1  -0.548  -2.687  -5.982
    9    HE3  MET   1           HE3      MET   1  -0.858  -3.386  -4.393
   10    H    ASP   2           H        ASP   2   1.446   2.432  -1.841
   11    HA   ASP   2           HA       ASP   2   2.359   4.522  -1.904
   12    HB2  ASP   2           HB2      ASP   2   4.947   3.495  -0.784
   13    HB3  ASP   2           HB3      ASP   2   4.180   5.063  -0.547
   14    H    GLU   3           H        GLU   3   5.205   2.425  -2.375
   15    HA   GLU   3           HA       GLU   3   6.694   2.250  -4.086
   16    HB2  GLU   3           HB2      GLU   3   4.281   1.795  -5.182
   17    HB3  GLU   3           HB3      GLU   3   4.754   3.209  -6.113
   18    HG2  GLU   3           HG2      GLU   3   6.866   1.217  -5.907
   19    HG3  GLU   3           HG3      GLU   3   5.405   0.610  -6.684
   20    H    THR   4           H        THR   4   6.557   4.740  -2.694
   21    HA   THR   4           HA       THR   4   7.980   6.385  -4.592
   22    HB   THR   4           HB       THR   4   5.433   7.410  -3.325
   23    HG1  THR   4           HG1      THR   4   4.617   6.984  -5.222
   24   HG21  THR   4          HG21      THR   4   7.790   8.793  -4.478
   25   HG22  THR   4          HG22      THR   4   6.199   9.416  -4.915
   26   HG23  THR   4          HG23      THR   4   6.672   9.319  -3.219
   27    H    GLY   5           H        GLY   5   6.276   7.242  -1.592
   28    HA2  GLY   5           HA2      GLY   5   8.245   6.861   0.275
   29    HA3  GLY   5           HA3      GLY   5   8.655   8.394  -0.481
   30    H    LYS   6           H        LYS   6   7.180  10.155  -0.303
   31    HA   LYS   6           HA       LYS   6   4.866   9.915   1.394
   32    HB2  LYS   6           HB2      LYS   6   7.452  10.898   2.436
   33    HB3  LYS   6           HB3      LYS   6   6.052  11.892   2.817
   34    HG2  LYS   6           HG2      LYS   6   5.748  10.537   4.551
   35    HG3  LYS   6           HG3      LYS   6   5.176   9.347   3.379
   36    HD2  LYS   6           HD2      LYS   6   6.791   8.087   4.357
   37    HD3  LYS   6           HD3      LYS   6   7.804   8.911   3.170
   38    HE2  LYS   6           HE2      LYS   6   9.028   9.261   5.075
   39    HE3  LYS   6           HE3      LYS   6   8.018  10.706   5.077
   40    HZ1  LYS   6           HZ1      LYS   6   6.461   9.422   6.544
   41    HZ2  LYS   6           HZ2      LYS   6   7.671   8.249   6.697
   42    HZ3  LYS   6           HZ3      LYS   6   7.946   9.826   7.246
   43    H    GLU   7           H        GLU   7   3.643  11.899   1.531
   44    HA   GLU   7           HA       GLU   7   4.365  14.320   0.351
   45    HB2  GLU   7           HB2      GLU   7   3.657  12.257  -1.548
   46    HB3  GLU   7           HB3      GLU   7   2.523  13.598  -1.637
   47    HG2  GLU   7           HG2      GLU   7   4.046  15.008  -2.499
   48    HG3  GLU   7           HG3      GLU   7   5.364  14.349  -1.532
   49    H    LEU   8           H        LEU   8   2.625  15.836   0.265
   50    HA   LEU   8           HA       LEU   8   0.060  14.898   1.330
   51    HB2  LEU   8           HB2      LEU   8   2.025  16.388   2.774
   52    HB3  LEU   8           HB3      LEU   8   0.602  17.399   2.527
   53    HG   LEU   8           HG       LEU   8  -0.791  15.849   3.692
   54   HD11  LEU   8          HD11      LEU   8   0.238  13.778   4.700
   55   HD12  LEU   8          HD12      LEU   8  -0.005  13.747   2.954
   56   HD13  LEU   8          HD13      LEU   8   1.605  14.033   3.615
   57   HD21  LEU   8          HD21      LEU   8   1.102  15.544   5.737
   58   HD22  LEU   8          HD22      LEU   8   1.542  17.023   4.882
   59   HD23  LEU   8          HD23      LEU   8  -0.081  16.838   5.547
   60    H    VAL   9           H        VAL   9  -1.720  16.232   0.860
   61    HA   VAL   9           HA       VAL   9  -1.285  18.591  -0.793
   62    HB   VAL   9           HB       VAL   9  -2.728  17.840  -2.593
   63   HG11  VAL   9          HG11      VAL   9  -0.364  17.439  -2.873
   64   HG12  VAL   9          HG12      VAL   9  -0.487  15.909  -2.004
   65   HG13  VAL   9          HG13      VAL   9  -1.271  16.098  -3.573
   66   HG21  VAL   9          HG21      VAL   9  -4.217  16.358  -1.470
   67   HG22  VAL   9          HG22      VAL   9  -3.375  15.417  -2.702
   68   HG23  VAL   9          HG23      VAL   9  -2.896  15.283  -1.010
   69    H    LEU  10           H        LEU  10  -3.441  19.627  -1.361
   70    HA   LEU  10           HA       LEU  10  -5.320  19.260   0.879
   71    HB2  LEU  10           HB2      LEU  10  -4.212  21.708  -0.407
   72    HB3  LEU  10           HB3      LEU  10  -5.843  21.762   0.258
   73    HG   LEU  10           HG       LEU  10  -4.054  22.627   1.774
   74   HD11  LEU  10          HD11      LEU  10  -6.300  21.617   2.472
   75   HD12  LEU  10          HD12      LEU  10  -5.362  20.207   2.966
   76   HD13  LEU  10          HD13      LEU  10  -5.049  21.777   3.705
   77   HD21  LEU  10          HD21      LEU  10  -2.544  21.122   2.843
   78   HD22  LEU  10          HD22      LEU  10  -3.274  19.730   2.043
   79   HD23  LEU  10          HD23      LEU  10  -2.363  20.910   1.102
   80    H    ALA  11           H        ALA  11  -7.501  19.285   0.456
   81    HA   ALA  11           HA       ALA  11  -8.327  18.487  -2.136
   82    HB1  ALA  11           HB1      ALA  11 -10.665  18.856  -1.071
   83    HB2  ALA  11           HB2      ALA  11  -9.621  17.578  -0.449
   84    HB3  ALA  11           HB3      ALA  11  -9.753  19.109   0.417
   85    H    LEU  12           H        LEU  12  -8.359  19.848  -3.806
   86    HA   LEU  12           HA       LEU  12  -8.841  22.669  -3.465
   87    HB2  LEU  12           HB2      LEU  12  -7.252  21.589  -5.133
   88    HB3  LEU  12           HB3      LEU  12  -8.687  21.177  -6.070
   89    HG   LEU  12           HG       LEU  12  -8.229  24.025  -5.308
   90   HD11  LEU  12          HD11      LEU  12  -6.069  23.221  -6.185
   91   HD12  LEU  12          HD12      LEU  12  -6.890  22.675  -7.647
   92   HD13  LEU  12          HD13      LEU  12  -6.845  24.393  -7.249
   93   HD21  LEU  12          HD21      LEU  12  -9.067  23.557  -7.992
   94   HD22  LEU  12          HD22      LEU  12 -10.047  22.571  -6.907
   95   HD23  LEU  12          HD23      LEU  12  -9.954  24.316  -6.670
   96    H    TYR  13           H        TYR  13 -10.668  19.864  -4.384
   97    HA   TYR  13           HA       TYR  13 -13.066  21.533  -4.577
   98    HB2  TYR  13           HB2      TYR  13 -12.532  21.209  -6.878
   99    HB3  TYR  13           HB3      TYR  13 -12.167  19.506  -6.625
  100    HD1  TYR  13           HD1      TYR  13 -15.091  21.646  -5.700
  101    HD2  TYR  13           HD2      TYR  13 -13.688  18.201  -7.766
  102    HE1  TYR  13           HE1      TYR  13 -17.407  21.067  -6.294
  103    HE2  TYR  13           HE2      TYR  13 -16.000  17.614  -8.367
  104    HH   TYR  13           HH       TYR  13 -18.742  19.585  -7.268
  105    H    ASP  14           H        ASP  14 -14.814  20.681  -3.598
  106    HA   ASP  14           HA       ASP  14 -14.536  18.500  -1.850
  107    HB2  ASP  14           HB2      ASP  14 -17.098  19.740  -2.878
  108    HB3  ASP  14           HB3      ASP  14 -16.930  18.752  -1.430
  109    H    TYR  15           H        TYR  15 -14.023  16.565  -2.735
  110    HA   TYR  15           HA       TYR  15 -15.717  15.533  -4.900
  111    HB2  TYR  15           HB2      TYR  15 -12.977  15.519  -4.625
  112    HB3  TYR  15           HB3      TYR  15 -13.420  13.896  -4.107
  113    HD1  TYR  15           HD1      TYR  15 -14.757  12.445  -5.677
  114    HD2  TYR  15           HD2      TYR  15 -12.984  16.111  -6.909
  115    HE1  TYR  15           HE1      TYR  15 -14.955  11.745  -8.027
  116    HE2  TYR  15           HE2      TYR  15 -13.179  15.422  -9.262
  117    HH   TYR  15           HH       TYR  15 -14.698  12.340 -10.154
  118    H    GLN  16           H        GLN  16 -17.172  14.000  -4.510
  119    HA   GLN  16           HA       GLN  16 -17.241  12.785  -1.852
  120    HB2  GLN  16           HB2      GLN  16 -19.223  13.705  -3.703
  121    HB3  GLN  16           HB3      GLN  16 -19.488  11.995  -3.388
  122    HG2  GLN  16           HG2      GLN  16 -18.946  13.446  -0.951
  123    HG3  GLN  16           HG3      GLN  16 -20.312  14.133  -1.828
  124   HE21  GLN  16          HE21      GLN  16 -21.882  12.437  -2.664
  125   HE22  GLN  16          HE22      GLN  16 -22.298  11.175  -1.560
  126    H    GLU  17           H        GLU  17 -16.560  12.021  -5.132
  127    HA   GLU  17           HA       GLU  17 -15.851  10.116  -6.154
  128    HB2  GLU  17           HB2      GLU  17 -15.689   8.916  -3.387
  129    HB3  GLU  17           HB3      GLU  17 -14.839   8.380  -4.829
  130    HG2  GLU  17           HG2      GLU  17 -14.427  11.024  -3.453
  131    HG3  GLU  17           HG3      GLU  17 -13.391   9.609  -3.281
  132    H    LYS  18           H        LYS  18 -16.292   7.418  -5.538
  133    HA   LYS  18           HA       LYS  18 -18.949   6.814  -4.835
  134    HB2  LYS  18           HB2      LYS  18 -18.548   7.760  -7.549
  135    HB3  LYS  18           HB3      LYS  18 -19.182   6.120  -7.531
  136    HG2  LYS  18           HG2      LYS  18 -21.206   6.806  -6.919
  137    HG3  LYS  18           HG3      LYS  18 -20.557   7.850  -5.651
  138    HD2  LYS  18           HD2      LYS  18 -20.282   9.654  -7.121
  139    HD3  LYS  18           HD3      LYS  18 -20.405   8.623  -8.549
  140    HE2  LYS  18           HE2      LYS  18 -22.482   9.605  -8.537
  141    HE3  LYS  18           HE3      LYS  18 -22.802   8.135  -7.619
  142    HZ1  LYS  18           HZ1      LYS  18 -23.767  10.033  -6.520
  143    HZ2  LYS  18           HZ2      LYS  18 -22.505   9.421  -5.574
  144    HZ3  LYS  18           HZ3      LYS  18 -22.275  10.828  -6.484
  145    H    SER  19           H        SER  19 -16.109   5.977  -6.727
  146    HA   SER  19           HA       SER  19 -16.674   3.132  -6.515
  147    HB2  SER  19           HB2      SER  19 -15.052   4.801  -8.221
  148    HB3  SER  19           HB3      SER  19 -14.076   3.501  -7.537
  149    HG   SER  19           HG       SER  19 -15.640   3.293  -9.570
  150    HA   PRO  20           HA       PRO  20 -14.205   2.280  -2.991
  151    HB2  PRO  20           HB2      PRO  20 -13.043  -0.080  -3.662
  152    HB3  PRO  20           HB3      PRO  20 -14.759   0.066  -3.263
  153    HG2  PRO  20           HG2      PRO  20 -13.443  -0.068  -5.949
  154    HG3  PRO  20           HG3      PRO  20 -14.914  -0.879  -5.382
  155    HD2  PRO  20           HD2      PRO  20 -14.980   1.357  -6.908
  156    HD3  PRO  20           HD3      PRO  20 -16.218   0.997  -5.688
  157    H    ARG  21           H        ARG  21 -12.657   2.418  -6.108
  158    HA   ARG  21           HA       ARG  21  -9.992   2.524  -4.936
  159    HB2  ARG  21           HB2      ARG  21  -9.168   2.518  -7.202
  160    HB3  ARG  21           HB3      ARG  21 -10.399   1.273  -7.045
  161    HG2  ARG  21           HG2      ARG  21 -11.412   3.875  -7.930
  162    HG3  ARG  21           HG3      ARG  21 -10.282   3.101  -9.044
  163    HD2  ARG  21           HD2      ARG  21 -12.858   1.977  -7.959
  164    HD3  ARG  21           HD3      ARG  21 -12.492   2.405  -9.630
  165    HE   ARG  21           HE       ARG  21 -10.632   0.526  -9.041
  166   HH11  ARG  21          HH11      ARG  21 -14.102   0.642  -8.777
  167   HH12  ARG  21          HH12      ARG  21 -14.308  -1.061  -9.021
  168   HH21  ARG  21          HH21      ARG  21 -10.891  -1.718  -9.364
  169   HH22  ARG  21          HH22      ARG  21 -12.481  -2.402  -9.354
  170    H    GLU  22           H        GLU  22 -12.212   4.637  -4.704
  171    HA   GLU  22           HA       GLU  22 -10.639   6.925  -5.688
  172    HB2  GLU  22           HB2      GLU  22 -13.589   6.531  -5.300
  173    HB3  GLU  22           HB3      GLU  22 -12.901   8.149  -5.284
  174    HG2  GLU  22           HG2      GLU  22 -11.963   7.744  -7.524
  175    HG3  GLU  22           HG3      GLU  22 -12.737   6.161  -7.538
  176    H    VAL  23           H        VAL  23 -10.715   8.880  -4.326
  177    HA   VAL  23           HA       VAL  23 -10.902   8.210  -1.461
  178    HB   VAL  23           HB       VAL  23  -8.783   9.741  -2.934
  179   HG11  VAL  23          HG11      VAL  23  -9.850  10.284  -0.245
  180   HG12  VAL  23          HG12      VAL  23  -8.095  10.147  -0.354
  181   HG13  VAL  23          HG13      VAL  23  -8.950  11.330  -1.344
  182   HG21  VAL  23          HG21      VAL  23  -8.028   8.079  -0.672
  183   HG22  VAL  23          HG22      VAL  23  -8.920   7.185  -1.902
  184   HG23  VAL  23          HG23      VAL  23  -7.448   8.053  -2.337
  185    H    THR  24           H        THR  24 -12.574   9.263  -0.622
  186    HA   THR  24           HA       THR  24 -13.667  11.633  -1.782
  187    HB   THR  24           HB       THR  24 -14.269  10.352   0.891
  188    HG1  THR  24           HG1      THR  24 -14.852   8.929  -0.702
  189   HG21  THR  24          HG21      THR  24 -16.439  11.816  -0.298
  190   HG22  THR  24          HG22      THR  24 -15.699  12.014   1.290
  191   HG23  THR  24          HG23      THR  24 -15.034  12.864  -0.105
  192    H    MET  25           H        MET  25 -13.042  13.660  -1.462
  193    HA   MET  25           HA       MET  25 -11.709  14.348   1.069
  194    HB2  MET  25           HB2      MET  25 -10.082  15.678  -0.050
  195    HB3  MET  25           HB3      MET  25 -10.094  14.113  -0.853
  196    HG2  MET  25           HG2      MET  25 -11.940  15.972  -2.082
  197    HG3  MET  25           HG3      MET  25 -10.292  16.595  -2.050
  198    HE1  MET  25           HE1      MET  25  -8.614  15.040  -4.846
  199    HE2  MET  25           HE2      MET  25  -9.746  16.392  -4.866
  200    HE3  MET  25           HE3      MET  25  -8.651  16.179  -3.500
  201    H    LYS  26           H        LYS  26 -11.961  16.523   1.762
  202    HA   LYS  26           HA       LYS  26 -14.282  17.871   0.546
  203    HB2  LYS  26           HB2      LYS  26 -13.607  17.213   3.308
  204    HB3  LYS  26           HB3      LYS  26 -14.010  18.912   3.099
  205    HG2  LYS  26           HG2      LYS  26 -15.862  17.125   1.739
  206    HG3  LYS  26           HG3      LYS  26 -15.794  16.868   3.484
  207    HD2  LYS  26           HD2      LYS  26 -16.003  19.436   3.642
  208    HD3  LYS  26           HD3      LYS  26 -16.549  19.342   1.966
  209    HE2  LYS  26           HE2      LYS  26 -18.275  17.696   2.705
  210    HE3  LYS  26           HE3      LYS  26 -17.787  18.008   4.370
  211    HZ1  LYS  26           HZ1      LYS  26 -18.223  20.473   3.628
  212    HZ2  LYS  26           HZ2      LYS  26 -19.249  19.728   2.507
  213    HZ3  LYS  26           HZ3      LYS  26 -19.487  19.483   4.164
  214    H    LYS  27           H        LYS  27 -13.980  19.834  -0.277
  215    HA   LYS  27           HA       LYS  27 -11.619  21.052  -0.765
  216    HB2  LYS  27           HB2      LYS  27 -13.901  21.739  -1.603
  217    HB3  LYS  27           HB3      LYS  27 -14.111  22.620  -0.095
  218    HG2  LYS  27           HG2      LYS  27 -12.116  23.963  -0.636
  219    HG3  LYS  27           HG3      LYS  27 -11.998  23.119  -2.182
  220    HD2  LYS  27           HD2      LYS  27 -13.391  24.618  -3.052
  221    HD3  LYS  27           HD3      LYS  27 -14.654  24.021  -1.973
  222    HE2  LYS  27           HE2      LYS  27 -14.438  26.396  -1.678
  223    HE3  LYS  27           HE3      LYS  27 -13.835  25.587  -0.233
  224    HZ1  LYS  27           HZ1      LYS  27 -11.621  25.823  -1.770
  225    HZ2  LYS  27           HZ2      LYS  27 -12.444  27.262  -2.109
  226    HZ3  LYS  27           HZ3      LYS  27 -12.049  26.869  -0.511
  227    H    GLY  28           H        GLY  28 -10.038  21.328   0.700
  228    HA2  GLY  28           HA2      GLY  28  -9.097  22.942   2.240
  229    HA3  GLY  28           HA3      GLY  28 -10.664  23.022   3.031
  230    H    ASP  29           H        ASP  29  -9.209  20.001   2.047
  231    HA   ASP  29           HA       ASP  29  -8.621  19.402   4.870
  232    HB2  ASP  29           HB2      ASP  29  -9.855  17.501   4.855
  233    HB3  ASP  29           HB3      ASP  29 -10.714  18.302   3.542
  234    H    ILE  30           H        ILE  30  -7.062  17.638   5.176
  235    HA   ILE  30           HA       ILE  30  -5.052  17.649   3.026
  236    HB   ILE  30           HB       ILE  30  -4.855  17.981   5.891
  237   HG12  ILE  30          HG12      ILE  30  -3.855  19.310   3.907
  238   HG13  ILE  30          HG13      ILE  30  -2.864  19.084   5.344
  239   HG21  ILE  30          HG21      ILE  30  -4.330  15.636   5.980
  240   HG22  ILE  30          HG22      ILE  30  -3.182  15.801   4.651
  241   HG23  ILE  30          HG23      ILE  30  -2.845  16.561   6.207
  242   HD11  ILE  30          HD11      ILE  30  -2.644  17.141   3.099
  243   HD12  ILE  30          HD12      ILE  30  -1.860  18.716   2.975
  244   HD13  ILE  30          HD13      ILE  30  -1.441  17.624   4.296
  245    H    LEU  31           H        LEU  31  -4.139  15.757   2.308
  246    HA   LEU  31           HA       LEU  31  -5.184  13.249   3.432
  247    HB2  LEU  31           HB2      LEU  31  -4.853  12.687   0.765
  248    HB3  LEU  31           HB3      LEU  31  -6.387  12.978   1.582
  249    HG   LEU  31           HG       LEU  31  -4.869  15.279   0.428
  250   HD11  LEU  31          HD11      LEU  31  -5.655  14.946  -1.727
  251   HD12  LEU  31          HD12      LEU  31  -5.131  13.332  -1.246
  252   HD13  LEU  31          HD13      LEU  31  -6.845  13.748  -1.217
  253   HD21  LEU  31          HD21      LEU  31  -7.541  15.607  -0.047
  254   HD22  LEU  31          HD22      LEU  31  -7.539  14.717   1.476
  255   HD23  LEU  31          HD23      LEU  31  -6.667  16.244   1.346
  256    H    THR  32           H        THR  32  -3.883  11.346   2.865
  257    HA   THR  32           HA       THR  32  -1.038  12.049   2.797
  258    HB   THR  32           HB       THR  32  -2.230   9.360   3.481
  259    HG1  THR  32           HG1      THR  32  -1.335  11.262   5.380
  260   HG21  THR  32          HG21      THR  32  -0.082   8.991   4.591
  261   HG22  THR  32          HG22      THR  32   0.150   9.356   2.881
  262   HG23  THR  32          HG23      THR  32   0.458  10.596   4.096
  263    H    LEU  33           H        LEU  33  -0.145  12.003   0.841
  264    HA   LEU  33           HA       LEU  33  -1.206  10.623  -1.379
  265    HB2  LEU  33           HB2      LEU  33   1.271  12.133  -0.783
  266    HB3  LEU  33           HB3      LEU  33   1.312  11.043  -2.167
  267    HG   LEU  33           HG       LEU  33   0.770  13.459  -2.659
  268   HD11  LEU  33          HD11      LEU  33   0.110  11.281  -3.980
  269   HD12  LEU  33          HD12      LEU  33  -1.523  11.781  -3.540
  270   HD13  LEU  33          HD13      LEU  33  -0.489  12.865  -4.471
  271   HD21  LEU  33          HD21      LEU  33  -1.796  12.686  -1.276
  272   HD22  LEU  33          HD22      LEU  33  -0.671  13.956  -0.798
  273   HD23  LEU  33          HD23      LEU  33  -1.595  14.114  -2.292
  274    H    LEU  34           H        LEU  34  -0.542   8.755  -2.427
  275    HA   LEU  34           HA       LEU  34   1.207   6.975  -0.860
  276    HB2  LEU  34           HB2      LEU  34  -1.474   6.582  -1.967
  277    HB3  LEU  34           HB3      LEU  34  -0.342   5.286  -2.351
  278    HG   LEU  34           HG       LEU  34  -0.517   6.147   0.484
  279   HD11  LEU  34          HD11      LEU  34  -2.434   4.265   0.472
  280   HD12  LEU  34          HD12      LEU  34  -2.766   5.997   0.430
  281   HD13  LEU  34          HD13      LEU  34  -2.779   5.061  -1.064
  282   HD21  LEU  34          HD21      LEU  34  -0.463   3.389  -0.714
  283   HD22  LEU  34          HD22      LEU  34   0.997   4.347  -0.463
  284   HD23  LEU  34          HD23      LEU  34  -0.004   3.886   0.915
  285    H    ASN  35           H        ASN  35  -0.186   7.224  -4.139
  286    HA   ASN  35           HA       ASN  35   2.229   6.065  -5.263
  287    HB2  ASN  35           HB2      ASN  35   0.067   5.316  -6.125
  288    HB3  ASN  35           HB3      ASN  35  -0.339   6.967  -6.585
  289   HD21  ASN  35          HD21      ASN  35   2.711   5.223  -6.935
  290   HD22  ASN  35          HD22      ASN  35   2.773   5.321  -8.659
  291    H    SER  36           H        SER  36   0.266   8.862  -6.274
  292    HA   SER  36           HA       SER  36   0.838  10.957  -6.959
  293    HB2  SER  36           HB2      SER  36   2.863  10.273  -4.999
  294    HB3  SER  36           HB3      SER  36   3.523  11.320  -6.255
  295    HG   SER  36           HG       SER  36   1.803  12.769  -5.838
  296    H    THR  37           H        THR  37   1.610   8.367  -8.400
  297    HA   THR  37           HA       THR  37   3.734   9.390 -10.141
  298    HB   THR  37           HB       THR  37   2.476   6.640 -10.068
  299    HG1  THR  37           HG1      THR  37   5.033   7.512  -9.152
  300   HG21  THR  37          HG21      THR  37   3.334   6.608 -12.168
  301   HG22  THR  37          HG22      THR  37   4.447   7.938 -11.849
  302   HG23  THR  37          HG23      THR  37   4.843   6.307 -11.305
  303    H    ASN  38           H        ASN  38   0.351   8.476 -10.131
  304    HA   ASN  38           HA       ASN  38   0.136   9.015 -12.999
  305    HB2  ASN  38           HB2      ASN  38  -0.984   7.009 -12.333
  306    HB3  ASN  38           HB3      ASN  38  -1.789   7.828 -10.997
  307   HD21  ASN  38          HD21      ASN  38  -1.376   8.767 -14.383
  308   HD22  ASN  38          HD22      ASN  38  -3.064   8.883 -14.737
  309    H    LYS  39           H        LYS  39   0.156  11.187 -13.279
  310    HA   LYS  39           HA       LYS  39  -0.784  13.174 -11.646
  311    HB2  LYS  39           HB2      LYS  39   0.475  13.736 -13.602
  312    HB3  LYS  39           HB3      LYS  39  -0.740  13.030 -14.660
  313    HG2  LYS  39           HG2      LYS  39  -2.316  14.777 -14.046
  314    HG3  LYS  39           HG3      LYS  39  -1.127  15.474 -12.943
  315    HD2  LYS  39           HD2      LYS  39   0.335  16.016 -14.763
  316    HD3  LYS  39           HD3      LYS  39  -0.681  15.134 -15.906
  317    HE2  LYS  39           HE2      LYS  39  -2.224  17.107 -14.485
  318    HE3  LYS  39           HE3      LYS  39  -0.817  17.851 -15.243
  319    HZ1  LYS  39           HZ1      LYS  39  -3.192  17.147 -16.460
  320    HZ2  LYS  39           HZ2      LYS  39  -1.779  17.689 -17.216
  321    HZ3  LYS  39           HZ3      LYS  39  -2.053  16.030 -17.024
  322    H    ASP  40           H        ASP  40  -2.618  11.522 -14.211
  323    HA   ASP  40           HA       ASP  40  -5.018  12.841 -14.023
  324    HB2  ASP  40           HB2      ASP  40  -4.854   9.846 -14.334
  325    HB3  ASP  40           HB3      ASP  40  -6.039  10.948 -15.029
  326    H    TRP  41           H        TRP  41  -3.907  10.111 -12.048
  327    HA   TRP  41           HA       TRP  41  -5.794  10.923  -9.968
  328    HB2  TRP  41           HB2      TRP  41  -5.675   8.205 -11.254
  329    HB3  TRP  41           HB3      TRP  41  -6.269   8.413  -9.609
  330    HD1  TRP  41           HD1      TRP  41  -7.205   9.099 -13.242
  331    HE1  TRP  41           HE1      TRP  41  -9.687   9.773 -13.346
  332    HE3  TRP  41           HE3      TRP  41  -8.141   9.524  -8.234
  333    HZ2  TRP  41           HZ2      TRP  41 -11.766  10.403 -11.544
  334    HZ3  TRP  41           HZ3      TRP  41 -10.403  10.167  -7.508
  335    HH2  TRP  41           HH2      TRP  41 -12.176  10.597  -9.130
  336    H    TRP  42           H        TRP  42  -4.654  11.218  -8.181
  337    HA   TRP  42           HA       TRP  42  -2.152   9.739  -7.819
  338    HB2  TRP  42           HB2      TRP  42  -3.247  12.275  -6.624
  339    HB3  TRP  42           HB3      TRP  42  -1.876  11.440  -5.899
  340    HD1  TRP  42           HD1      TRP  42  -0.667  10.635  -8.898
  341    HE1  TRP  42           HE1      TRP  42   0.631  12.475 -10.146
  342    HE3  TRP  42           HE3      TRP  42  -2.463  14.724  -6.410
  343    HZ2  TRP  42           HZ2      TRP  42   0.862  15.287 -10.083
  344    HZ3  TRP  42           HZ3      TRP  42  -1.652  16.953  -7.065
  345    HH2  TRP  42           HH2      TRP  42  -0.023  17.226  -8.863
  346    H    LYS  43           H        LYS  43  -2.443   7.853  -6.810
  347    HA   LYS  43           HA       LYS  43  -4.560   7.185  -5.115
  348    HB2  LYS  43           HB2      LYS  43  -3.196   5.488  -6.197
  349    HB3  LYS  43           HB3      LYS  43  -1.781   6.004  -5.287
  350    HG2  LYS  43           HG2      LYS  43  -3.482   5.455  -3.267
  351    HG3  LYS  43           HG3      LYS  43  -4.034   4.298  -4.481
  352    HD2  LYS  43           HD2      LYS  43  -1.113   4.492  -4.128
  353    HD3  LYS  43           HD3      LYS  43  -2.008   3.827  -2.760
  354    HE2  LYS  43           HE2      LYS  43  -3.127   2.276  -4.409
  355    HE3  LYS  43           HE3      LYS  43  -1.951   2.828  -5.600
  356    HZ1  LYS  43           HZ1      LYS  43  -1.499   0.713  -4.172
  357    HZ2  LYS  43           HZ2      LYS  43  -0.239   1.783  -4.531
  358    HZ3  LYS  43           HZ3      LYS  43  -0.985   1.833  -3.014
  359    H    VAL  44           H        VAL  44  -4.974   7.545  -3.028
  360    HA   VAL  44           HA       VAL  44  -2.792   8.297  -1.227
  361    HB   VAL  44           HB       VAL  44  -3.960  10.203  -0.336
  362   HG11  VAL  44          HG11      VAL  44  -4.226  10.785  -3.227
  363   HG12  VAL  44          HG12      VAL  44  -3.367  11.669  -1.965
  364   HG13  VAL  44          HG13      VAL  44  -2.656  10.213  -2.662
  365   HG21  VAL  44          HG21      VAL  44  -6.245   9.442  -0.593
  366   HG22  VAL  44          HG22      VAL  44  -6.054  11.023  -1.349
  367   HG23  VAL  44          HG23      VAL  44  -6.118   9.570  -2.347
  368    H    GLU  45           H        GLU  45  -3.661   8.475   1.089
  369    HA   GLU  45           HA       GLU  45  -5.719   6.410   1.516
  370    HB2  GLU  45           HB2      GLU  45  -3.643   5.419   2.119
  371    HB3  GLU  45           HB3      GLU  45  -3.121   6.864   2.974
  372    HG2  GLU  45           HG2      GLU  45  -4.718   6.488   4.716
  373    HG3  GLU  45           HG3      GLU  45  -5.440   5.149   3.825
  374    H    VAL  46           H        VAL  46  -7.418   7.035   2.669
  375    HA   VAL  46           HA       VAL  46  -7.120   9.148   4.671
  376    HB   VAL  46           HB       VAL  46  -9.308  10.152   3.832
  377   HG11  VAL  46          HG11      VAL  46  -7.174  10.576   1.797
  378   HG12  VAL  46          HG12      VAL  46  -8.163  11.756   2.657
  379   HG13  VAL  46          HG13      VAL  46  -6.830  10.951   3.485
  380   HG21  VAL  46          HG21      VAL  46  -9.679   8.148   2.275
  381   HG22  VAL  46          HG22      VAL  46 -10.035   9.756   1.645
  382   HG23  VAL  46          HG23      VAL  46  -8.535   8.945   1.196
  383    H    ASN  47           H        ASN  47  -8.261   8.764   6.473
  384    HA   ASN  47           HA       ASN  47  -9.395   7.457   7.985
  385    HB2  ASN  47           HB2      ASN  47 -11.889   7.208   7.171
  386    HB3  ASN  47           HB3      ASN  47 -11.233   8.793   7.570
  387   HD21  ASN  47          HD21      ASN  47 -12.205   6.652   5.008
  388   HD22  ASN  47          HD22      ASN  47 -12.277   7.849   3.764
  389    H    ASP  48           H        ASP  48  -7.905   5.645   7.181
  390    HA   ASP  48           HA       ASP  48  -7.560   3.503   6.427
  391    HB2  ASP  48           HB2      ASP  48  -9.243   3.536   8.548
  392    HB3  ASP  48           HB3      ASP  48 -10.236   2.673   7.376
  393    H    ARG  49           H        ARG  49  -8.684   5.176   4.416
  394    HA   ARG  49           HA       ARG  49  -9.891   3.114   2.748
  395    HB2  ARG  49           HB2      ARG  49 -11.342   5.392   3.808
  396    HB3  ARG  49           HB3      ARG  49 -11.322   5.407   2.050
  397    HG2  ARG  49           HG2      ARG  49 -12.107   2.976   3.625
  398    HG3  ARG  49           HG3      ARG  49 -13.263   4.227   3.165
  399    HD2  ARG  49           HD2      ARG  49 -11.740   3.545   0.868
  400    HD3  ARG  49           HD3      ARG  49 -12.290   2.048   1.621
  401    HE   ARG  49           HE       ARG  49 -13.907   4.018   0.292
  402   HH11  ARG  49          HH11      ARG  49 -13.874   1.455   2.647
  403   HH12  ARG  49          HH12      ARG  49 -15.563   1.108   2.485
  404   HH21  ARG  49          HH21      ARG  49 -16.132   3.571   0.070
  405   HH22  ARG  49          HH22      ARG  49 -16.847   2.312   1.019
  406    H    GLN  50           H        GLN  50  -7.857   3.152   1.695
  407    HA   GLN  50           HA       GLN  50  -7.063   5.620   0.366
  408    HB2  GLN  50           HB2      GLN  50  -5.015   4.535  -0.151
  409    HB3  GLN  50           HB3      GLN  50  -5.408   4.085   1.503
  410    HG2  GLN  50           HG2      GLN  50  -4.959   2.010   0.824
  411    HG3  GLN  50           HG3      GLN  50  -6.571   2.065   0.114
  412   HE21  GLN  50          HE21      GLN  50  -3.194   2.840  -0.608
  413   HE22  GLN  50          HE22      GLN  50  -3.272   2.415  -2.280
  414    H    GLY  51           H        GLY  51  -6.882   5.848  -1.876
  415    HA2  GLY  51           HA2      GLY  51  -7.682   3.740  -3.661
  416    HA3  GLY  51           HA3      GLY  51  -8.921   4.971  -3.464
  417    H    PHE  52           H        PHE  52  -8.850   6.664  -4.785
  418    HA   PHE  52           HA       PHE  52  -6.283   7.509  -5.905
  419    HB2  PHE  52           HB2      PHE  52  -8.706   6.706  -7.515
  420    HB3  PHE  52           HB3      PHE  52  -7.419   7.712  -8.171
  421    HD1  PHE  52           HD1      PHE  52  -8.597   4.596  -8.397
  422    HD2  PHE  52           HD2      PHE  52  -4.984   6.559  -7.294
  423    HE1  PHE  52           HE1      PHE  52  -7.323   2.574  -8.983
  424    HE2  PHE  52           HE2      PHE  52  -3.705   4.541  -7.880
  425    HZ   PHE  52           HZ       PHE  52  -4.874   2.545  -8.726
  426    H    VAL  53           H        VAL  53  -6.068   9.644  -5.807
  427    HA   VAL  53           HA       VAL  53  -8.496  11.274  -5.455
  428    HB   VAL  53           HB       VAL  53  -6.309  11.129  -3.803
  429   HG11  VAL  53          HG11      VAL  53  -5.046  13.162  -4.019
  430   HG12  VAL  53          HG12      VAL  53  -4.953  12.277  -5.542
  431   HG13  VAL  53          HG13      VAL  53  -6.022  13.672  -5.397
  432   HG21  VAL  53          HG21      VAL  53  -7.595  12.446  -2.532
  433   HG22  VAL  53          HG22      VAL  53  -7.606  13.740  -3.730
  434   HG23  VAL  53          HG23      VAL  53  -8.744  12.399  -3.869
  435    HA   PRO  54           HA       PRO  54  -7.647  13.180  -9.346
  436    HB2  PRO  54           HB2      PRO  54  -9.210  15.379  -9.036
  437    HB3  PRO  54           HB3      PRO  54  -9.868  13.770  -9.358
  438    HG2  PRO  54           HG2      PRO  54  -9.629  15.232  -6.757
  439    HG3  PRO  54           HG3      PRO  54 -10.985  14.277  -7.383
  440    HD2  PRO  54           HD2      PRO  54  -9.230  13.299  -5.567
  441    HD3  PRO  54           HD3      PRO  54 -10.014  12.274  -6.787
  442    H    ALA  55           H        ALA  55  -5.760  14.133  -9.764
  443    HA   ALA  55           HA       ALA  55  -4.366  15.810  -7.991
  444    HB1  ALA  55           HB1      ALA  55  -2.802  16.161  -9.789
  445    HB2  ALA  55           HB2      ALA  55  -3.315  14.474  -9.791
  446    HB3  ALA  55           HB3      ALA  55  -3.982  15.599 -10.974
  447    H    ALA  56           H        ALA  56  -5.981  16.640 -11.065
  448    HA   ALA  56           HA       ALA  56  -5.640  19.357 -11.060
  449    HB1  ALA  56           HB1      ALA  56  -8.121  17.876 -11.925
  450    HB2  ALA  56           HB2      ALA  56  -7.665  19.508 -12.414
  451    HB3  ALA  56           HB3      ALA  56  -6.675  18.132 -12.901
  452    H    TYR  57           H        TYR  57  -7.910  17.466  -9.166
  453    HA   TYR  57           HA       TYR  57  -9.113  19.892  -8.067
  454    HB2  TYR  57           HB2      TYR  57  -9.808  16.966  -7.789
  455    HB3  TYR  57           HB3      TYR  57 -10.618  18.239  -6.882
  456    HD1  TYR  57           HD1      TYR  57 -11.393  20.281  -8.505
  457    HD2  TYR  57           HD2      TYR  57 -10.913  16.215  -9.660
  458    HE1  TYR  57           HE1      TYR  57 -12.943  20.637 -10.381
  459    HE2  TYR  57           HE2      TYR  57 -12.460  16.560 -11.540
  460    HH   TYR  57           HH       TYR  57 -14.383  18.183 -12.065
  461    H    VAL  58           H        VAL  58  -6.423  19.520  -7.424
  462    HA   VAL  58           HA       VAL  58  -6.623  19.346  -4.524
  463    HB   VAL  58           HB       VAL  58  -5.762  17.115  -5.791
  464   HG11  VAL  58          HG11      VAL  58  -3.199  18.473  -5.016
  465   HG12  VAL  58          HG12      VAL  58  -3.427  16.975  -5.919
  466   HG13  VAL  58          HG13      VAL  58  -3.817  18.524  -6.667
  467   HG21  VAL  58          HG21      VAL  58  -4.908  16.406  -3.683
  468   HG22  VAL  58          HG22      VAL  58  -4.585  18.068  -3.187
  469   HG23  VAL  58          HG23      VAL  58  -6.248  17.506  -3.360
  470    H    LYS  59           H        LYS  59  -4.453  19.979  -3.512
  471    HA   LYS  59           HA       LYS  59  -2.745  21.642  -5.141
  472    HB2  LYS  59           HB2      LYS  59  -4.991  22.796  -3.830
  473    HB3  LYS  59           HB3      LYS  59  -3.546  23.328  -2.980
  474    HG2  LYS  59           HG2      LYS  59  -2.667  24.364  -4.884
  475    HG3  LYS  59           HG3      LYS  59  -3.772  23.510  -5.964
  476    HD2  LYS  59           HD2      LYS  59  -5.644  24.740  -4.736
  477    HD3  LYS  59           HD3      LYS  59  -4.372  25.768  -4.073
  478    HE2  LYS  59           HE2      LYS  59  -3.786  26.593  -6.189
  479    HE3  LYS  59           HE3      LYS  59  -4.636  25.295  -7.026
  480    HZ1  LYS  59           HZ1      LYS  59  -6.563  26.395  -6.929
  481    HZ2  LYS  59           HZ2      LYS  59  -6.320  26.916  -5.338
  482    HZ3  LYS  59           HZ3      LYS  59  -5.619  27.766  -6.622
  483    H    LYS  60           H        LYS  60  -0.794  21.086  -4.454
  484    HA   LYS  60           HA       LYS  60  -0.263  19.882  -1.960
  485    HB2  LYS  60           HB2      LYS  60   1.079  19.915  -4.242
  486    HB3  LYS  60           HB3      LYS  60   1.910  21.261  -3.474
  487    HG2  LYS  60           HG2      LYS  60   1.663  18.483  -2.338
  488    HG3  LYS  60           HG3      LYS  60   3.086  19.145  -3.145
  489    HD2  LYS  60           HD2      LYS  60   2.666  21.045  -1.277
  490    HD3  LYS  60           HD3      LYS  60   2.044  19.629  -0.427
  491    HE2  LYS  60           HE2      LYS  60   4.493  18.930  -1.708
  492    HE3  LYS  60           HE3      LYS  60   4.738  20.420  -0.798
  493    HZ1  LYS  60           HZ1      LYS  60   4.871  19.195   1.024
  494    HZ2  LYS  60           HZ2      LYS  60   3.259  18.721   0.821
  495    HZ3  LYS  60           HZ3      LYS  60   4.505  17.782   0.168
  496    H    LEU  61           H        LEU  61  -0.998  21.189  -0.292
  497    HA   LEU  61           HA       LEU  61   0.546  23.662   0.134
  498    HB2  LEU  61           HB2      LEU  61  -2.207  23.119   1.217
  499    HB3  LEU  61           HB3      LEU  61  -1.318  24.640   1.246
  500    HG   LEU  61           HG       LEU  61  -2.099  23.403  -1.366
  501   HD11  LEU  61          HD11      LEU  61  -3.925  24.276   0.665
  502   HD12  LEU  61          HD12      LEU  61  -4.003  25.358  -0.726
  503   HD13  LEU  61          HD13      LEU  61  -4.262  23.626  -0.939
  504   HD21  LEU  61          HD21      LEU  61  -0.658  25.218  -1.653
  505   HD22  LEU  61          HD22      LEU  61  -2.264  25.909  -1.883
  506   HD23  LEU  61          HD23      LEU  61  -1.414  26.143  -0.355
  507    H    ASP  62           H        ASP  62   1.850  21.600   0.998
  508    HA   ASP  62           HA       ASP  62   1.671  21.804   3.884
  509    HB2  ASP  62           HB2      ASP  62   0.306  19.741   2.857
  510    HB3  ASP  62           HB3      ASP  62   1.907  19.008   2.900
  Start of MODEL    4
    1    H1   MET   1           H        MET   1   0.043   0.915   1.970
    2    HA   MET   1           HA       MET   1   2.033   0.112   1.206
    3    HB2  MET   1           HB2      MET   1   0.891   0.936  -1.466
    4    HB3  MET   1           HB3      MET   1   2.421   0.089  -1.278
    5    HG2  MET   1           HG2      MET   1   0.296  -1.253   0.139
    6    HG3  MET   1           HG3      MET   1  -0.096  -1.038  -1.566
    7    HE1  MET   1           HE1      MET   1  -0.411  -3.245  -1.783
    8    HE2  MET   1           HE2      MET   1   0.774  -3.802  -2.964
    9    HE3  MET   1           HE3      MET   1   0.673  -4.577  -1.383
   10    H    ASP   2           H        ASP   2   1.644   2.716  -1.170
   11    HA   ASP   2           HA       ASP   2   2.821   4.625  -1.554
   12    HB2  ASP   2           HB2      ASP   2   2.097   4.983   0.899
   13    HB3  ASP   2           HB3      ASP   2   3.761   4.572   1.304
   14    H    GLU   3           H        GLU   3   4.426   4.079  -2.917
   15    HA   GLU   3           HA       GLU   3   7.079   3.748  -1.826
   16    HB2  GLU   3           HB2      GLU   3   5.821   1.424  -2.167
   17    HB3  GLU   3           HB3      GLU   3   6.352   1.665  -3.825
   18    HG2  GLU   3           HG2      GLU   3   8.431   2.105  -1.812
   19    HG3  GLU   3           HG3      GLU   3   7.807   0.457  -1.880
   20    H    THR   4           H        THR   4   6.379   5.913  -3.097
   21    HA   THR   4           HA       THR   4   7.963   5.866  -5.490
   22    HB   THR   4           HB       THR   4   5.136   6.826  -5.868
   23    HG1  THR   4           HG1      THR   4   4.703   4.725  -5.688
   24   HG21  THR   4          HG21      THR   4   7.564   6.580  -7.502
   25   HG22  THR   4          HG22      THR   4   6.092   6.000  -8.282
   26   HG23  THR   4          HG23      THR   4   6.179   7.657  -7.684
   27    H    GLY   5           H        GLY   5   5.732   7.655  -3.413
   28    HA2  GLY   5           HA2      GLY   5   7.536   9.759  -2.945
   29    HA3  GLY   5           HA3      GLY   5   6.432  10.251  -4.220
   30    H    LYS   6           H        LYS   6   6.749   9.435  -0.846
   31    HA   LYS   6           HA       LYS   6   3.959   9.812  -0.250
   32    HB2  LYS   6           HB2      LYS   6   4.730   9.680   2.125
   33    HB3  LYS   6           HB3      LYS   6   5.194   8.297   1.142
   34    HG2  LYS   6           HG2      LYS   6   7.311  10.106   0.923
   35    HG3  LYS   6           HG3      LYS   6   6.842  10.125   2.624
   36    HD2  LYS   6           HD2      LYS   6   7.473   7.970   2.961
   37    HD3  LYS   6           HD3      LYS   6   7.025   7.471   1.329
   38    HE2  LYS   6           HE2      LYS   6   9.066   9.014   0.678
   39    HE3  LYS   6           HE3      LYS   6   9.564   8.658   2.331
   40    HZ1  LYS   6           HZ1      LYS   6  10.187   6.626   1.740
   41    HZ2  LYS   6           HZ2      LYS   6   8.719   6.307   0.963
   42    HZ3  LYS   6           HZ3      LYS   6   9.969   7.081   0.125
   43    H    GLU   7           H        GLU   7   3.015  11.734  -0.191
   44    HA   GLU   7           HA       GLU   7   4.368  13.962   1.110
   45    HB2  GLU   7           HB2      GLU   7   3.779  15.506  -0.750
   46    HB3  GLU   7           HB3      GLU   7   4.990  14.311  -1.191
   47    HG2  GLU   7           HG2      GLU   7   2.736  13.027  -1.936
   48    HG3  GLU   7           HG3      GLU   7   2.263  14.704  -2.202
   49    H    LEU   8           H        LEU   8   2.646  15.971   0.727
   50    HA   LEU   8           HA       LEU   8   0.025  14.899   1.538
   51    HB2  LEU   8           HB2      LEU   8  -0.117  17.013   2.961
   52    HB3  LEU   8           HB3      LEU   8   0.907  15.699   3.536
   53    HG   LEU   8           HG       LEU   8   2.870  16.953   2.585
   54   HD11  LEU   8          HD11      LEU   8   2.329  18.582   1.150
   55   HD12  LEU   8          HD12      LEU   8   0.695  18.742   1.796
   56   HD13  LEU   8          HD13      LEU   8   2.043  19.551   2.596
   57   HD21  LEU   8          HD21      LEU   8   3.161  17.599   4.686
   58   HD22  LEU   8          HD22      LEU   8   1.987  18.900   4.483
   59   HD23  LEU   8          HD23      LEU   8   1.450  17.299   4.992
   60    H    VAL   9           H        VAL   9  -1.802  16.269   1.101
   61    HA   VAL   9           HA       VAL   9  -1.406  18.523  -0.690
   62    HB   VAL   9           HB       VAL   9  -2.869  17.653  -2.436
   63   HG11  VAL   9          HG11      VAL   9  -0.553  15.819  -1.828
   64   HG12  VAL   9          HG12      VAL   9  -1.343  15.985  -3.395
   65   HG13  VAL   9          HG13      VAL   9  -0.472  17.351  -2.698
   66   HG21  VAL   9          HG21      VAL   9  -4.238  16.143  -1.145
   67   HG22  VAL   9          HG22      VAL   9  -3.470  15.250  -2.457
   68   HG23  VAL   9          HG23      VAL   9  -2.848  15.111  -0.813
   69    H    LEU  10           H        LEU  10  -3.483  19.614  -1.205
   70    HA   LEU  10           HA       LEU  10  -5.414  19.254   0.992
   71    HB2  LEU  10           HB2      LEU  10  -4.240  21.676  -0.272
   72    HB3  LEU  10           HB3      LEU  10  -5.901  21.763   0.309
   73    HG   LEU  10           HG       LEU  10  -3.995  22.557   1.851
   74   HD11  LEU  10          HD11      LEU  10  -6.512  21.362   2.319
   75   HD12  LEU  10          HD12      LEU  10  -5.415  20.793   3.576
   76   HD13  LEU  10          HD13      LEU  10  -5.646  22.523   3.325
   77   HD21  LEU  10          HD21      LEU  10  -2.584  20.556   1.504
   78   HD22  LEU  10          HD22      LEU  10  -2.953  20.852   3.203
   79   HD23  LEU  10          HD23      LEU  10  -3.807  19.584   2.323
   80    H    ALA  11           H        ALA  11  -7.572  19.210   0.533
   81    HA   ALA  11           HA       ALA  11  -8.367  18.440  -2.070
   82    HB1  ALA  11           HB1      ALA  11  -9.799  19.013   0.484
   83    HB2  ALA  11           HB2      ALA  11 -10.723  18.837  -1.008
   84    HB3  ALA  11           HB3      ALA  11  -9.702  17.515  -0.442
   85    H    LEU  12           H        LEU  12  -8.399  19.800  -3.739
   86    HA   LEU  12           HA       LEU  12  -8.899  22.619  -3.392
   87    HB2  LEU  12           HB2      LEU  12  -7.270  21.563  -5.036
   88    HB3  LEU  12           HB3      LEU  12  -8.683  21.138  -5.999
   89    HG   LEU  12           HG       LEU  12  -8.858  23.904  -5.438
   90   HD11  LEU  12          HD11      LEU  12  -6.145  23.083  -6.463
   91   HD12  LEU  12          HD12      LEU  12  -6.784  24.726  -6.441
   92   HD13  LEU  12          HD13      LEU  12  -6.481  23.877  -4.925
   93   HD21  LEU  12          HD21      LEU  12  -9.797  23.303  -7.421
   94   HD22  LEU  12          HD22      LEU  12  -8.229  23.848  -8.018
   95   HD23  LEU  12          HD23      LEU  12  -8.536  22.127  -7.791
   96    H    TYR  13           H        TYR  13 -10.703  19.805  -4.282
   97    HA   TYR  13           HA       TYR  13 -13.103  21.455  -4.539
   98    HB2  TYR  13           HB2      TYR  13 -12.550  21.141  -6.831
   99    HB3  TYR  13           HB3      TYR  13 -12.146  19.447  -6.576
  100    HD1  TYR  13           HD1      TYR  13 -13.627  18.071  -7.679
  101    HD2  TYR  13           HD2      TYR  13 -15.127  21.550  -5.743
  102    HE1  TYR  13           HE1      TYR  13 -15.916  17.427  -8.308
  103    HE2  TYR  13           HE2      TYR  13 -17.420  20.915  -6.365
  104    HH   TYR  13           HH       TYR  13 -18.682  18.956  -6.993
  105    H    ASP  14           H        ASP  14 -14.842  20.603  -3.555
  106    HA   ASP  14           HA       ASP  14 -14.572  18.407  -1.824
  107    HB2  ASP  14           HB2      ASP  14 -17.123  19.676  -2.843
  108    HB3  ASP  14           HB3      ASP  14 -16.971  18.659  -1.413
  109    H    TYR  15           H        TYR  15 -14.103  16.457  -2.680
  110    HA   TYR  15           HA       TYR  15 -15.793  15.454  -4.865
  111    HB2  TYR  15           HB2      TYR  15 -13.051  15.437  -4.612
  112    HB3  TYR  15           HB3      TYR  15 -13.490  13.811  -4.098
  113    HD1  TYR  15           HD1      TYR  15 -13.106  16.053  -6.894
  114    HD2  TYR  15           HD2      TYR  15 -14.812  12.355  -5.663
  115    HE1  TYR  15           HE1      TYR  15 -13.319  15.375  -9.249
  116    HE2  TYR  15           HE2      TYR  15 -15.029  11.666  -8.014
  117    HH   TYR  15           HH       TYR  15 -13.651  13.555 -10.618
  118    H    GLN  16           H        GLN  16 -17.226  13.893  -4.494
  119    HA   GLN  16           HA       GLN  16 -17.289  12.669  -1.838
  120    HB2  GLN  16           HB2      GLN  16 -19.326  13.098  -3.992
  121    HB3  GLN  16           HB3      GLN  16 -19.589  11.852  -2.779
  122    HG2  GLN  16           HG2      GLN  16 -20.692  13.952  -2.200
  123    HG3  GLN  16           HG3      GLN  16 -19.470  13.496  -1.013
  124   HE21  GLN  16          HE21      GLN  16 -18.835  15.400  -0.224
  125   HE22  GLN  16          HE22      GLN  16 -18.198  16.702  -1.164
  126    H    GLU  17           H        GLU  17 -16.620  11.929  -5.126
  127    HA   GLU  17           HA       GLU  17 -15.910  10.032  -6.164
  128    HB2  GLU  17           HB2      GLU  17 -15.738   8.815  -3.405
  129    HB3  GLU  17           HB3      GLU  17 -14.893   8.287  -4.854
  130    HG2  GLU  17           HG2      GLU  17 -14.477  10.924  -3.466
  131    HG3  GLU  17           HG3      GLU  17 -13.441   9.508  -3.303
  132    H    LYS  18           H        LYS  18 -16.344   7.330  -5.573
  133    HA   LYS  18           HA       LYS  18 -18.996   6.713  -4.863
  134    HB2  LYS  18           HB2      LYS  18 -18.613   7.690  -7.568
  135    HB3  LYS  18           HB3      LYS  18 -19.246   6.049  -7.564
  136    HG2  LYS  18           HG2      LYS  18 -21.270   6.762  -7.021
  137    HG3  LYS  18           HG3      LYS  18 -20.642   7.667  -5.641
  138    HD2  LYS  18           HD2      LYS  18 -20.663   9.620  -6.758
  139    HD3  LYS  18           HD3      LYS  18 -20.089   8.882  -8.255
  140    HE2  LYS  18           HE2      LYS  18 -22.313   8.074  -8.750
  141    HE3  LYS  18           HE3      LYS  18 -22.909   8.676  -7.204
  142    HZ1  LYS  18           HZ1      LYS  18 -21.621  10.685  -8.813
  143    HZ2  LYS  18           HZ2      LYS  18 -23.001  10.028  -9.538
  144    HZ3  LYS  18           HZ3      LYS  18 -23.106  10.735  -8.004
  145    H    SER  19           H        SER  19 -16.166   5.904  -6.781
  146    HA   SER  19           HA       SER  19 -16.724   3.056  -6.604
  147    HB2  SER  19           HB2      SER  19 -15.099   4.753  -8.283
  148    HB3  SER  19           HB3      SER  19 -14.130   3.436  -7.624
  149    HG   SER  19           HG       SER  19 -16.570   3.201  -9.056
  150    HA   PRO  20           HA       PRO  20 -14.253   2.158  -3.093
  151    HB2  PRO  20           HB2      PRO  20 -13.089  -0.192  -3.798
  152    HB3  PRO  20           HB3      PRO  20 -14.805  -0.052  -3.396
  153    HG2  PRO  20           HG2      PRO  20 -13.491  -0.148  -6.084
  154    HG3  PRO  20           HG3      PRO  20 -14.961  -0.969  -5.527
  155    HD2  PRO  20           HD2      PRO  20 -15.029   1.288  -7.023
  156    HD3  PRO  20           HD3      PRO  20 -16.267   0.910  -5.807
  157    H    ARG  21           H        ARG  21 -12.705   2.336  -6.210
  158    HA   ARG  21           HA       ARG  21 -10.041   2.434  -5.034
  159    HB2  ARG  21           HB2      ARG  21  -9.215   2.448  -7.299
  160    HB3  ARG  21           HB3      ARG  21 -10.445   1.199  -7.154
  161    HG2  ARG  21           HG2      ARG  21 -11.457   3.809  -8.021
  162    HG3  ARG  21           HG3      ARG  21 -10.329   3.040  -9.140
  163    HD2  ARG  21           HD2      ARG  21 -12.907   1.917  -8.062
  164    HD3  ARG  21           HD3      ARG  21 -12.538   2.349  -9.731
  165    HE   ARG  21           HE       ARG  21 -10.685   0.463  -9.146
  166   HH11  ARG  21          HH11      ARG  21 -14.154   0.588  -8.881
  167   HH12  ARG  21          HH12      ARG  21 -14.364  -1.114  -9.129
  168   HH21  ARG  21          HH21      ARG  21 -10.949  -1.779  -9.474
  169   HH22  ARG  21          HH22      ARG  21 -12.541  -2.459  -9.466
  170    H    GLU  22           H        GLU  22 -12.255   4.540  -4.770
  171    HA   GLU  22           HA       GLU  22 -10.691   6.840  -5.742
  172    HB2  GLU  22           HB2      GLU  22 -13.639   6.437  -5.354
  173    HB3  GLU  22           HB3      GLU  22 -12.954   8.056  -5.323
  174    HG2  GLU  22           HG2      GLU  22 -12.018   7.674  -7.567
  175    HG3  GLU  22           HG3      GLU  22 -12.791   6.091  -7.596
  176    H    VAL  23           H        VAL  23 -10.766   8.782  -4.363
  177    HA   VAL  23           HA       VAL  23 -10.952   8.088  -1.503
  178    HB   VAL  23           HB       VAL  23  -8.829   9.631  -2.961
  179   HG11  VAL  23          HG11      VAL  23  -8.148   9.983  -0.363
  180   HG12  VAL  23          HG12      VAL  23  -8.969  11.194  -1.348
  181   HG13  VAL  23          HG13      VAL  23  -9.901  10.150  -0.275
  182   HG21  VAL  23          HG21      VAL  23  -7.461   7.968  -2.337
  183   HG22  VAL  23          HG22      VAL  23  -8.138   7.894  -0.711
  184   HG23  VAL  23          HG23      VAL  23  -8.944   7.061  -2.040
  185    H    THR  24           H        THR  24 -12.613   9.143  -0.648
  186    HA   THR  24           HA       THR  24 -13.707  11.521  -1.792
  187    HB   THR  24           HB       THR  24 -14.296  10.228   0.878
  188    HG1  THR  24           HG1      THR  24 -15.833   9.106  -0.195
  189   HG21  THR  24          HG21      THR  24 -15.718  11.893   1.296
  190   HG22  THR  24          HG22      THR  24 -15.060  12.748  -0.098
  191   HG23  THR  24          HG23      THR  24 -16.470  11.706  -0.288
  192    H    MET  25           H        MET  25 -13.108  13.553  -1.449
  193    HA   MET  25           HA       MET  25 -11.744  14.223   1.069
  194    HB2  MET  25           HB2      MET  25 -10.125  15.557  -0.051
  195    HB3  MET  25           HB3      MET  25 -10.149  14.004  -0.876
  196    HG2  MET  25           HG2      MET  25 -12.008  15.866  -2.068
  197    HG3  MET  25           HG3      MET  25 -10.369  16.512  -2.029
  198    HE1  MET  25           HE1      MET  25  -9.704  16.348  -4.802
  199    HE2  MET  25           HE2      MET  25  -8.659  16.064  -3.410
  200    HE3  MET  25           HE3      MET  25  -8.612  14.963  -4.787
  201    H    LYS  26           H        LYS  26 -11.992  16.394   1.779
  202    HA   LYS  26           HA       LYS  26 -14.320  17.752   0.586
  203    HB2  LYS  26           HB2      LYS  26 -13.478  17.312   3.414
  204    HB3  LYS  26           HB3      LYS  26 -14.333  18.798   3.025
  205    HG2  LYS  26           HG2      LYS  26 -15.775  16.731   1.796
  206    HG3  LYS  26           HG3      LYS  26 -15.366  16.157   3.415
  207    HD2  LYS  26           HD2      LYS  26 -17.317  17.274   3.859
  208    HD3  LYS  26           HD3      LYS  26 -16.151  18.575   4.106
  209    HE2  LYS  26           HE2      LYS  26 -17.036  19.768   2.450
  210    HE3  LYS  26           HE3      LYS  26 -16.916  18.408   1.335
  211    HZ1  LYS  26           HZ1      LYS  26 -19.207  19.190   1.647
  212    HZ2  LYS  26           HZ2      LYS  26 -19.014  17.578   2.124
  213    HZ3  LYS  26           HZ3      LYS  26 -19.116  18.800   3.291
  214    H    LYS  27           H        LYS  27 -14.006  19.715  -0.228
  215    HA   LYS  27           HA       LYS  27 -11.638  20.940  -0.678
  216    HB2  LYS  27           HB2      LYS  27 -13.918  21.620  -1.542
  217    HB3  LYS  27           HB3      LYS  27 -14.138  22.506  -0.039
  218    HG2  LYS  27           HG2      LYS  27 -12.143  23.848  -0.565
  219    HG3  LYS  27           HG3      LYS  27 -12.000  22.993  -2.103
  220    HD2  LYS  27           HD2      LYS  27 -13.127  24.971  -2.647
  221    HD3  LYS  27           HD3      LYS  27 -14.408  23.762  -2.535
  222    HE2  LYS  27           HE2      LYS  27 -15.334  24.726  -0.719
  223    HE3  LYS  27           HE3      LYS  27 -13.772  25.161  -0.026
  224    HZ1  LYS  27           HZ1      LYS  27 -14.126  27.225  -0.700
  225    HZ2  LYS  27           HZ2      LYS  27 -14.115  26.706  -2.311
  226    HZ3  LYS  27           HZ3      LYS  27 -15.574  26.784  -1.457
  227    H    GLY  28           H        GLY  28 -10.081  21.215   0.812
  228    HA2  GLY  28           HA2      GLY  28  -9.170  22.826   2.373
  229    HA3  GLY  28           HA3      GLY  28 -10.750  22.899   3.140
  230    H    ASP  29           H        ASP  29  -9.338  19.864   2.173
  231    HA   ASP  29           HA       ASP  29  -8.853  19.239   5.013
  232    HB2  ASP  29           HB2      ASP  29  -9.935  17.243   4.832
  233    HB3  ASP  29           HB3      ASP  29 -10.793  18.091   3.549
  234    H    ILE  30           H        ILE  30  -7.483  17.053   5.063
  235    HA   ILE  30           HA       ILE  30  -5.228  17.388   3.197
  236    HB   ILE  30           HB       ILE  30  -5.192  17.806   5.995
  237   HG12  ILE  30          HG12      ILE  30  -3.853  18.930   4.198
  238   HG13  ILE  30          HG13      ILE  30  -2.906  18.442   5.599
  239   HG21  ILE  30          HG21      ILE  30  -3.506  16.207   6.737
  240   HG22  ILE  30          HG22      ILE  30  -4.989  15.384   6.253
  241   HG23  ILE  30          HG23      ILE  30  -3.590  15.385   5.178
  242   HD11  ILE  30          HD11      ILE  30  -1.585  17.179   4.351
  243   HD12  ILE  30          HD12      ILE  30  -2.958  16.367   3.600
  244   HD13  ILE  30          HD13      ILE  30  -2.365  17.891   2.939
  245    H    LEU  31           H        LEU  31  -4.264  15.548   2.440
  246    HA   LEU  31           HA       LEU  31  -5.232  12.972   3.464
  247    HB2  LEU  31           HB2      LEU  31  -4.947  12.476   0.795
  248    HB3  LEU  31           HB3      LEU  31  -6.475  12.760   1.626
  249    HG   LEU  31           HG       LEU  31  -4.993  15.104   0.537
  250   HD11  LEU  31          HD11      LEU  31  -4.899  13.543  -1.306
  251   HD12  LEU  31          HD12      LEU  31  -6.616  13.184  -1.128
  252   HD13  LEU  31          HD13      LEU  31  -6.099  14.791  -1.640
  253   HD21  LEU  31          HD21      LEU  31  -6.879  15.865   1.550
  254   HD22  LEU  31          HD22      LEU  31  -7.560  15.509  -0.037
  255   HD23  LEU  31          HD23      LEU  31  -7.763  14.362   1.287
  256    H    THR  32           H        THR  32  -3.866  11.146   2.858
  257    HA   THR  32           HA       THR  32  -1.053  11.961   2.716
  258    HB   THR  32           HB       THR  32  -2.035   9.195   3.392
  259    HG1  THR  32           HG1      THR  32  -2.758   9.976   5.212
  260   HG21  THR  32          HG21      THR  32   0.467  10.700   4.166
  261   HG22  THR  32          HG22      THR  32   0.094   9.019   4.548
  262   HG23  THR  32          HG23      THR  32   0.361   9.505   2.873
  263    H    LEU  33           H        LEU  33  -0.158  11.896   0.767
  264    HA   LEU  33           HA       LEU  33  -1.243  10.518  -1.443
  265    HB2  LEU  33           HB2      LEU  33   1.229  12.044  -0.876
  266    HB3  LEU  33           HB3      LEU  33   1.265  10.952  -2.259
  267    HG   LEU  33           HG       LEU  33   0.699  13.362  -2.750
  268   HD11  LEU  33          HD11      LEU  33  -0.529  12.741  -4.560
  269   HD12  LEU  33          HD12      LEU  33   0.014  11.147  -4.035
  270   HD13  LEU  33          HD13      LEU  33  -1.606  11.709  -3.619
  271   HD21  LEU  33          HD21      LEU  33  -1.835  12.571  -1.322
  272   HD22  LEU  33          HD22      LEU  33  -0.724  13.870  -0.889
  273   HD23  LEU  33          HD23      LEU  33  -1.681  13.984  -2.366
  274    H    LEU  34           H        LEU  34  -0.598   8.650  -2.496
  275    HA   LEU  34           HA       LEU  34   1.183   6.876  -0.959
  276    HB2  LEU  34           HB2      LEU  34  -1.501   6.465  -2.071
  277    HB3  LEU  34           HB3      LEU  34  -0.358   5.169  -2.414
  278    HG   LEU  34           HG       LEU  34  -0.282   5.909   0.378
  279   HD11  LEU  34          HD11      LEU  34  -2.695   4.601   0.433
  280   HD12  LEU  34          HD12      LEU  34  -2.445   6.321   0.732
  281   HD13  LEU  34          HD13      LEU  34  -2.906   5.763  -0.877
  282   HD21  LEU  34          HD21      LEU  34   0.302   3.771   0.434
  283   HD22  LEU  34          HD22      LEU  34  -1.312   3.301  -0.099
  284   HD23  LEU  34          HD23      LEU  34  -0.051   3.631  -1.288
  285    H    ASN  35           H        ASN  35  -0.245   7.131  -4.222
  286    HA   ASN  35           HA       ASN  35   2.153   5.974  -5.379
  287    HB2  ASN  35           HB2      ASN  35  -0.025   5.258  -6.231
  288    HB3  ASN  35           HB3      ASN  35  -0.416   6.917  -6.671
  289   HD21  ASN  35          HD21      ASN  35   2.610   5.142  -7.063
  290   HD22  ASN  35          HD22      ASN  35   2.660   5.258  -8.787
  291    H    SER  36           H        SER  36   0.210   8.801  -6.345
  292    HA   SER  36           HA       SER  36   0.799  10.897  -7.012
  293    HB2  SER  36           HB2      SER  36   2.832  10.172  -5.075
  294    HB3  SER  36           HB3      SER  36   3.490  11.230  -6.323
  295    HG   SER  36           HG       SER  36   2.055  11.939  -4.260
  296    H    THR  37           H        THR  37   1.539   8.314  -8.483
  297    HA   THR  37           HA       THR  37   3.660   9.335 -10.229
  298    HB   THR  37           HB       THR  37   2.374   6.598 -10.177
  299    HG1  THR  37           HG1      THR  37   4.564   7.729  -8.866
  300   HG21  THR  37          HG21      THR  37   4.544   6.083 -11.495
  301   HG22  THR  37          HG22      THR  37   3.193   6.831 -12.346
  302   HG23  THR  37          HG23      THR  37   4.562   7.815 -11.829
  303    H    ASN  38           H        ASN  38   0.268   8.451 -10.207
  304    HA   ASN  38           HA       ASN  38   0.042   9.033 -13.066
  305    HB2  ASN  38           HB2      ASN  38  -1.081   7.019 -12.414
  306    HB3  ASN  38           HB3      ASN  38  -1.888   7.832 -11.077
  307   HD21  ASN  38          HD21      ASN  38  -1.456   8.782 -14.458
  308   HD22  ASN  38          HD22      ASN  38  -3.141   8.911 -14.818
  309    H    LYS  39           H        LYS  39   0.074  11.211 -13.307
  310    HA   LYS  39           HA       LYS  39  -0.855  13.172 -11.636
  311    HB2  LYS  39           HB2      LYS  39   0.407  13.763 -13.582
  312    HB3  LYS  39           HB3      LYS  39  -0.812  13.085 -14.653
  313    HG2  LYS  39           HG2      LYS  39  -2.380  14.829 -13.990
  314    HG3  LYS  39           HG3      LYS  39  -1.172  15.503 -12.894
  315    HD2  LYS  39           HD2      LYS  39  -0.377  15.124 -15.726
  316    HD3  LYS  39           HD3      LYS  39  -1.530  16.414 -15.376
  317    HE2  LYS  39           HE2      LYS  39   0.337  16.776 -13.417
  318    HE3  LYS  39           HE3      LYS  39   1.329  16.215 -14.762
  319    HZ1  LYS  39           HZ1      LYS  39   0.243  17.958 -16.136
  320    HZ2  LYS  39           HZ2      LYS  39  -0.493  18.556 -14.735
  321    HZ3  LYS  39           HZ3      LYS  39   1.193  18.570 -14.877
  322    H    ASP  40           H        ASP  40  -2.697  11.553 -14.214
  323    HA   ASP  40           HA       ASP  40  -5.091  12.887 -14.009
  324    HB2  ASP  40           HB2      ASP  40  -4.939   9.897 -14.370
  325    HB3  ASP  40           HB3      ASP  40  -6.121  11.014 -15.046
  326    H    TRP  41           H        TRP  41  -3.991  10.119 -12.081
  327    HA   TRP  41           HA       TRP  41  -5.881  10.902  -9.990
  328    HB2  TRP  41           HB2      TRP  41  -5.750   8.203 -11.315
  329    HB3  TRP  41           HB3      TRP  41  -6.344   8.383  -9.667
  330    HD1  TRP  41           HD1      TRP  41  -7.284   9.123 -13.289
  331    HE1  TRP  41           HE1      TRP  41  -9.769   9.788 -13.382
  332    HE3  TRP  41           HE3      TRP  41  -8.222   9.462  -8.274
  333    HZ2  TRP  41           HZ2      TRP  41 -11.851  10.378 -11.569
  334    HZ3  TRP  41           HZ3      TRP  41 -10.486  10.083  -7.537
  335    HH2  TRP  41           HH2      TRP  41 -12.261  10.532  -9.152
  336    H    TRP  42           H        TRP  42  -4.743  11.179  -8.199
  337    HA   TRP  42           HA       TRP  42  -2.237   9.704  -7.851
  338    HB2  TRP  42           HB2      TRP  42  -3.343  12.223  -6.632
  339    HB3  TRP  42           HB3      TRP  42  -1.978  11.381  -5.904
  340    HD1  TRP  42           HD1      TRP  42  -0.772  10.613  -8.928
  341    HE1  TRP  42           HE1      TRP  42   0.545  12.465 -10.135
  342    HE3  TRP  42           HE3      TRP  42  -2.522  14.665  -6.349
  343    HZ2  TRP  42           HZ2      TRP  42   0.808  15.273 -10.010
  344    HZ3  TRP  42           HZ3      TRP  42  -1.687  16.899  -6.954
  345    HH2  TRP  42           HH2      TRP  42  -0.055  17.194  -8.747
  346    H    LYS  43           H        LYS  43  -2.504   7.811  -6.853
  347    HA   LYS  43           HA       LYS  43  -4.628   7.110  -5.175
  348    HB2  LYS  43           HB2      LYS  43  -3.269   5.426  -6.269
  349    HB3  LYS  43           HB3      LYS  43  -1.846   5.945  -5.375
  350    HG2  LYS  43           HG2      LYS  43  -3.516   5.373  -3.336
  351    HG3  LYS  43           HG3      LYS  43  -4.078   4.221  -4.549
  352    HD2  LYS  43           HD2      LYS  43  -1.185   4.325  -4.419
  353    HD3  LYS  43           HD3      LYS  43  -1.897   3.922  -2.855
  354    HE2  LYS  43           HE2      LYS  43  -1.823   1.828  -3.718
  355    HE3  LYS  43           HE3      LYS  43  -3.365   2.323  -4.413
  356    HZ1  LYS  43           HZ1      LYS  43  -2.314   2.819  -6.469
  357    HZ2  LYS  43           HZ2      LYS  43  -0.767   2.603  -5.818
  358    HZ3  LYS  43           HZ3      LYS  43  -1.797   1.275  -6.010
  359    H    VAL  44           H        VAL  44  -5.048   7.452  -3.086
  360    HA   VAL  44           HA       VAL  44  -2.875   8.158  -1.263
  361    HB   VAL  44           HB       VAL  44  -3.986  10.091  -0.378
  362   HG11  VAL  44          HG11      VAL  44  -2.696  10.088  -2.702
  363   HG12  VAL  44          HG12      VAL  44  -4.261  10.664  -3.275
  364   HG13  VAL  44          HG13      VAL  44  -3.400  11.554  -2.020
  365   HG21  VAL  44          HG21      VAL  44  -6.177   9.522  -2.373
  366   HG22  VAL  44          HG22      VAL  44  -6.290   9.368  -0.620
  367   HG23  VAL  44          HG23      VAL  44  -6.074  10.957  -1.353
  368    H    GLU  45           H        GLU  45  -3.690   8.262   1.041
  369    HA   GLU  45           HA       GLU  45  -5.822   6.265   1.431
  370    HB2  GLU  45           HB2      GLU  45  -3.828   5.192   2.076
  371    HB3  GLU  45           HB3      GLU  45  -3.200   6.638   2.854
  372    HG2  GLU  45           HG2      GLU  45  -4.661   6.404   4.690
  373    HG3  GLU  45           HG3      GLU  45  -5.627   5.186   3.860
  374    H    VAL  46           H        VAL  46  -7.505   6.870   2.627
  375    HA   VAL  46           HA       VAL  46  -7.193   8.989   4.617
  376    HB   VAL  46           HB       VAL  46  -9.374  10.009   3.791
  377   HG11  VAL  46          HG11      VAL  46  -8.256  11.538   2.402
  378   HG12  VAL  46          HG12      VAL  46  -7.013  10.919   3.488
  379   HG13  VAL  46          HG13      VAL  46  -7.116  10.318   1.833
  380   HG21  VAL  46          HG21      VAL  46  -9.799   8.006   2.258
  381   HG22  VAL  46          HG22      VAL  46 -10.121   9.612   1.605
  382   HG23  VAL  46          HG23      VAL  46  -8.642   8.760   1.160
  383    H    ASN  47           H        ASN  47  -8.315   8.600   6.428
  384    HA   ASN  47           HA       ASN  47  -9.441   7.289   7.943
  385    HB2  ASN  47           HB2      ASN  47 -11.946   7.083   7.177
  386    HB3  ASN  47           HB3      ASN  47 -11.262   8.662   7.553
  387   HD21  ASN  47          HD21      ASN  47 -12.261   6.502   5.006
  388   HD22  ASN  47          HD22      ASN  47 -12.362   7.699   3.763
  389    H    ASP  48           H        ASP  48  -7.998   5.456   7.147
  390    HA   ASP  48           HA       ASP  48  -7.685   3.316   6.371
  391    HB2  ASP  48           HB2      ASP  48  -9.372   3.360   8.489
  392    HB3  ASP  48           HB3      ASP  48 -10.375   2.520   7.309
  393    H    ARG  49           H        ARG  49  -8.755   5.009   4.361
  394    HA   ARG  49           HA       ARG  49  -9.982   2.984   2.670
  395    HB2  ARG  49           HB2      ARG  49 -11.436   5.246   3.764
  396    HB3  ARG  49           HB3      ARG  49 -11.419   5.282   2.006
  397    HG2  ARG  49           HG2      ARG  49 -12.202   2.837   3.563
  398    HG3  ARG  49           HG3      ARG  49 -13.358   4.087   3.098
  399    HD2  ARG  49           HD2      ARG  49 -11.816   3.413   0.811
  400    HD3  ARG  49           HD3      ARG  49 -12.372   1.914   1.555
  401    HE   ARG  49           HE       ARG  49 -13.965   3.837   0.169
  402   HH11  ARG  49          HH11      ARG  49 -14.001   1.453   2.705
  403   HH12  ARG  49          HH12      ARG  49 -15.702   1.150   2.575
  404   HH21  ARG  49          HH21      ARG  49 -16.205   3.447  -0.013
  405   HH22  ARG  49          HH22      ARG  49 -16.955   2.284   1.028
  406    H    GLN  50           H        GLN  50  -7.979   3.027   1.584
  407    HA   GLN  50           HA       GLN  50  -7.188   5.524   0.298
  408    HB2  GLN  50           HB2      GLN  50  -5.117   4.514  -0.159
  409    HB3  GLN  50           HB3      GLN  50  -5.551   3.924   1.439
  410    HG2  GLN  50           HG2      GLN  50  -5.209   1.872   0.695
  411    HG3  GLN  50           HG3      GLN  50  -6.628   2.066  -0.332
  412   HE21  GLN  50          HE21      GLN  50  -3.171   2.846  -0.256
  413   HE22  GLN  50          HE22      GLN  50  -2.890   2.546  -1.934
  414    H    GLY  51           H        GLY  51  -6.914   5.717  -1.963
  415    HA2  GLY  51           HA2      GLY  51  -7.715   3.634  -3.757
  416    HA3  GLY  51           HA3      GLY  51  -8.972   4.847  -3.559
  417    H    PHE  52           H        PHE  52  -8.911   6.564  -4.852
  418    HA   PHE  52           HA       PHE  52  -6.350   7.435  -5.967
  419    HB2  PHE  52           HB2      PHE  52  -8.775   6.650  -7.584
  420    HB3  PHE  52           HB3      PHE  52  -7.484   7.658  -8.228
  421    HD1  PHE  52           HD1      PHE  52  -5.058   6.473  -7.326
  422    HD2  PHE  52           HD2      PHE  52  -8.668   4.562  -8.524
  423    HE1  PHE  52           HE1      PHE  52  -3.786   4.456  -7.932
  424    HE2  PHE  52           HE2      PHE  52  -7.402   2.543  -9.131
  425    HZ   PHE  52           HZ       PHE  52  -4.958   2.487  -8.835
  426    H    VAL  53           H        VAL  53  -6.143   9.569  -5.841
  427    HA   VAL  53           HA       VAL  53  -8.579  11.186  -5.477
  428    HB   VAL  53           HB       VAL  53  -6.379  11.023  -3.824
  429   HG11  VAL  53          HG11      VAL  53  -5.063  12.262  -5.526
  430   HG12  VAL  53          HG12      VAL  53  -6.174  13.619  -5.343
  431   HG13  VAL  53          HG13      VAL  53  -5.181  13.102  -3.980
  432   HG21  VAL  53          HG21      VAL  53  -7.722  12.230  -2.512
  433   HG22  VAL  53          HG22      VAL  53  -7.727  13.590  -3.634
  434   HG23  VAL  53          HG23      VAL  53  -8.852  12.252  -3.866
  435    HA   PRO  54           HA       PRO  54  -7.704  13.173  -9.319
  436    HB2  PRO  54           HB2      PRO  54  -9.242  15.382  -8.966
  437    HB3  PRO  54           HB3      PRO  54  -9.917  13.788  -9.321
  438    HG2  PRO  54           HG2      PRO  54  -9.665  15.195  -6.691
  439    HG3  PRO  54           HG3      PRO  54 -11.031  14.268  -7.337
  440    HD2  PRO  54           HD2      PRO  54  -9.289  13.235  -5.540
  441    HD3  PRO  54           HD3      PRO  54 -10.082  12.243  -6.780
  442    H    ALA  55           H        ALA  55  -5.811  14.120  -9.724
  443    HA   ALA  55           HA       ALA  55  -4.396  15.742  -7.915
  444    HB1  ALA  55           HB1      ALA  55  -4.012  15.596 -10.901
  445    HB2  ALA  55           HB2      ALA  55  -2.826  16.107  -9.700
  446    HB3  ALA  55           HB3      ALA  55  -3.367  14.429  -9.748
  447    H    ALA  56           H        ALA  56  -6.001  16.652 -10.972
  448    HA   ALA  56           HA       ALA  56  -5.631  19.367 -10.903
  449    HB1  ALA  56           HB1      ALA  56  -6.663  18.195 -12.780
  450    HB2  ALA  56           HB2      ALA  56  -8.118  17.927 -11.821
  451    HB3  ALA  56           HB3      ALA  56  -7.646  19.567 -12.268
  452    H    TYR  57           H        TYR  57  -7.912  17.450  -9.055
  453    HA   TYR  57           HA       TYR  57  -9.130  19.853  -7.926
  454    HB2  TYR  57           HB2      TYR  57  -9.796  16.918  -7.677
  455    HB3  TYR  57           HB3      TYR  57 -10.616  18.172  -6.753
  456    HD1  TYR  57           HD1      TYR  57 -11.068  16.128  -9.421
  457    HD2  TYR  57           HD2      TYR  57 -11.242  20.275  -8.484
  458    HE1  TYR  57           HE1      TYR  57 -12.626  16.479 -11.292
  459    HE2  TYR  57           HE2      TYR  57 -12.801  20.637 -10.352
  460    HH   TYR  57           HH       TYR  57 -14.388  18.134 -11.935
  461    H    VAL  58           H        VAL  58  -6.425  19.468  -7.296
  462    HA   VAL  58           HA       VAL  58  -6.623  19.277  -4.395
  463    HB   VAL  58           HB       VAL  58  -5.744  17.066  -5.690
  464   HG11  VAL  58          HG11      VAL  58  -3.402  16.946  -5.795
  465   HG12  VAL  58          HG12      VAL  58  -3.809  18.487  -6.549
  466   HG13  VAL  58          HG13      VAL  58  -3.199  18.449  -4.895
  467   HG21  VAL  58          HG21      VAL  58  -4.760  16.394  -3.569
  468   HG22  VAL  58          HG22      VAL  58  -4.701  18.077  -3.045
  469   HG23  VAL  58          HG23      VAL  58  -6.257  17.286  -3.299
  470    H    LYS  59           H        LYS  59  -4.499  19.956  -3.363
  471    HA   LYS  59           HA       LYS  59  -2.797  21.642  -4.987
  472    HB2  LYS  59           HB2      LYS  59  -5.050  22.759  -3.690
  473    HB3  LYS  59           HB3      LYS  59  -3.638  23.258  -2.768
  474    HG2  LYS  59           HG2      LYS  59  -3.559  23.523  -5.727
  475    HG3  LYS  59           HG3      LYS  59  -4.525  24.672  -4.797
  476    HD2  LYS  59           HD2      LYS  59  -2.250  24.685  -3.352
  477    HD3  LYS  59           HD3      LYS  59  -1.595  24.337  -4.954
  478    HE2  LYS  59           HE2      LYS  59  -1.695  26.524  -5.357
  479    HE3  LYS  59           HE3      LYS  59  -3.450  26.361  -5.382
  480    HZ1  LYS  59           HZ1      LYS  59  -3.227  27.946  -3.791
  481    HZ2  LYS  59           HZ2      LYS  59  -3.110  26.580  -2.798
  482    HZ3  LYS  59           HZ3      LYS  59  -1.710  27.401  -3.275
  483    H    LYS  60           H        LYS  60  -0.851  21.023  -4.330
  484    HA   LYS  60           HA       LYS  60  -0.309  19.844  -1.822
  485    HB2  LYS  60           HB2      LYS  60   0.989  19.810  -4.140
  486    HB3  LYS  60           HB3      LYS  60   1.884  21.123  -3.386
  487    HG2  LYS  60           HG2      LYS  60   1.545  18.350  -2.260
  488    HG3  LYS  60           HG3      LYS  60   2.989  18.977  -3.059
  489    HD2  LYS  60           HD2      LYS  60   1.773  20.083  -0.528
  490    HD3  LYS  60           HD3      LYS  60   3.182  19.023  -0.605
  491    HE2  LYS  60           HE2      LYS  60   3.619  21.190  -2.382
  492    HE3  LYS  60           HE3      LYS  60   3.064  21.856  -0.847
  493    HZ1  LYS  60           HZ1      LYS  60   4.840  20.059  -0.006
  494    HZ2  LYS  60           HZ2      LYS  60   5.540  20.489  -1.485
  495    HZ3  LYS  60           HZ3      LYS  60   5.226  21.676  -0.321
  496    H    LEU  61           H        LEU  61  -1.004  21.233  -0.190
  497    HA   LEU  61           HA       LEU  61   0.476  23.762   0.074
  498    HB2  LEU  61           HB2      LEU  61  -2.107  22.868   1.342
  499    HB3  LEU  61           HB3      LEU  61  -1.289  24.389   1.698
  500    HG   LEU  61           HG       LEU  61  -2.193  23.707  -1.083
  501   HD11  LEU  61          HD11      LEU  61  -4.085  25.424  -0.200
  502   HD12  LEU  61          HD12      LEU  61  -4.286  23.673  -0.267
  503   HD13  LEU  61          HD13      LEU  61  -3.823  24.451   1.247
  504   HD21  LEU  61          HD21      LEU  61  -2.141  26.449   0.038
  505   HD22  LEU  61          HD22      LEU  61  -0.588  25.670  -0.264
  506   HD23  LEU  61          HD23      LEU  61  -1.742  25.876  -1.581
  507    H    ASP  62           H        ASP  62  -1.099  21.641   2.450
  508    HA   ASP  62           HA       ASP  62   1.459  21.080   3.715
  509    HB2  ASP  62           HB2      ASP  62  -0.732  22.688   5.016
  510    HB3  ASP  62           HB3      ASP  62   0.448  21.789   5.965
  Start of MODEL    5
    1    H1   MET   1           H        MET   1  -0.910   1.794  -0.625
    2    HA   MET   1           HA       MET   1   0.312  -0.654  -1.218
    3    HB2  MET   1           HB2      MET   1  -0.025   1.122  -3.641
    4    HB3  MET   1           HB3      MET   1   0.865  -0.394  -3.571
    5    HG2  MET   1           HG2      MET   1  -1.227  -1.581  -3.086
    6    HG3  MET   1           HG3      MET   1  -2.104  -0.058  -3.212
    7    HE1  MET   1           HE1      MET   1  -2.118  -3.084  -5.744
    8    HE2  MET   1           HE2      MET   1  -0.438  -2.841  -6.223
    9    HE3  MET   1           HE3      MET   1  -0.852  -3.014  -4.518
   10    H    ASP   2           H        ASP   2   0.586   2.758  -2.226
   11    HA   ASP   2           HA       ASP   2   2.210   4.314  -1.876
   12    HB2  ASP   2           HB2      ASP   2   2.050   3.017   0.504
   13    HB3  ASP   2           HB3      ASP   2   3.735   2.719   0.088
   14    H    GLU   3           H        GLU   3   4.260   4.811  -2.647
   15    HA   GLU   3           HA       GLU   3   6.204   2.784  -3.206
   16    HB2  GLU   3           HB2      GLU   3   4.546   2.415  -5.030
   17    HB3  GLU   3           HB3      GLU   3   4.816   4.068  -5.564
   18    HG2  GLU   3           HG2      GLU   3   7.355   2.938  -5.410
   19    HG3  GLU   3           HG3      GLU   3   6.334   1.687  -6.117
   20    H    THR   4           H        THR   4   5.204   5.888  -4.655
   21    HA   THR   4           HA       THR   4   7.751   7.043  -3.744
   22    HB   THR   4           HB       THR   4   7.928   6.475  -6.151
   23    HG1  THR   4           HG1      THR   4   8.947   8.340  -6.552
   24   HG21  THR   4          HG21      THR   4   5.989   8.648  -6.800
   25   HG22  THR   4          HG22      THR   4   6.504   7.271  -7.774
   26   HG23  THR   4          HG23      THR   4   5.371   7.035  -6.444
   27    H    GLY   5           H        GLY   5   5.212   7.286  -2.498
   28    HA2  GLY   5           HA2      GLY   5   4.175   9.900  -3.257
   29    HA3  GLY   5           HA3      GLY   5   3.528   8.842  -2.012
   30    H    LYS   6           H        LYS   6   4.234   9.033   0.081
   31    HA   LYS   6           HA       LYS   6   4.969  10.173   1.914
   32    HB2  LYS   6           HB2      LYS   6   7.366  10.025   0.125
   33    HB3  LYS   6           HB3      LYS   6   7.469  10.920   1.635
   34    HG2  LYS   6           HG2      LYS   6   8.269   8.759   2.101
   35    HG3  LYS   6           HG3      LYS   6   6.644   8.831   2.787
   36    HD2  LYS   6           HD2      LYS   6   5.765   7.679   0.811
   37    HD3  LYS   6           HD3      LYS   6   7.391   7.607   0.129
   38    HE2  LYS   6           HE2      LYS   6   7.620   6.543   2.701
   39    HE3  LYS   6           HE3      LYS   6   6.122   5.874   2.056
   40    HZ1  LYS   6           HZ1      LYS   6   8.842   5.668   0.898
   41    HZ2  LYS   6           HZ2      LYS   6   7.846   4.411   1.437
   42    HZ3  LYS   6           HZ3      LYS   6   7.445   5.266   0.033
   43    H    GLU   7           H        GLU   7   3.324  11.795   0.743
   44    HA   GLU   7           HA       GLU   7   4.481  14.407   1.163
   45    HB2  GLU   7           HB2      GLU   7   4.393  13.442  -1.450
   46    HB3  GLU   7           HB3      GLU   7   2.984  14.486  -1.325
   47    HG2  GLU   7           HG2      GLU   7   5.547  15.531  -0.277
   48    HG3  GLU   7           HG3      GLU   7   5.379  15.386  -2.026
   49    H    LEU   8           H        LEU   8   2.716  16.137   0.817
   50    HA   LEU   8           HA       LEU   8   0.085  15.048   1.560
   51    HB2  LEU   8           HB2      LEU   8   1.850  16.624   3.158
   52    HB3  LEU   8           HB3      LEU   8   0.407  17.570   2.797
   53    HG   LEU   8           HG       LEU   8  -1.004  15.964   3.849
   54   HD11  LEU   8          HD11      LEU   8  -0.109  13.894   3.174
   55   HD12  LEU   8          HD12      LEU   8   1.454  14.236   3.918
   56   HD13  LEU   8          HD13      LEU   8   0.043  13.927   4.931
   57   HD21  LEU   8          HD21      LEU   8  -0.507  16.765   5.859
   58   HD22  LEU   8          HD22      LEU   8   0.940  15.761   5.956
   59   HD23  LEU   8          HD23      LEU   8   1.019  17.352   5.199
   60    H    VAL   9           H        VAL   9  -1.722  16.402   1.064
   61    HA   VAL   9           HA       VAL   9  -1.236  18.703  -0.661
   62    HB   VAL   9           HB       VAL   9  -2.670  17.898  -2.447
   63   HG11  VAL   9          HG11      VAL   9  -1.216  16.099  -3.337
   64   HG12  VAL   9          HG12      VAL   9  -0.313  17.474  -2.700
   65   HG13  VAL   9          HG13      VAL   9  -0.440  15.989  -1.757
   66   HG21  VAL   9          HG21      VAL   9  -3.303  15.453  -2.460
   67   HG22  VAL   9          HG22      VAL   9  -2.890  15.425  -0.745
   68   HG23  VAL   9          HG23      VAL   9  -4.190  16.468  -1.323
   69    H    LEU  10           H        LEU  10  -3.324  19.798  -1.248
   70    HA   LEU  10           HA       LEU  10  -5.239  19.540   0.976
   71    HB2  LEU  10           HB2      LEU  10  -4.091  21.894  -0.437
   72    HB3  LEU  10           HB3      LEU  10  -5.739  22.008   0.177
   73    HG   LEU  10           HG       LEU  10  -3.896  22.923   1.658
   74   HD11  LEU  10          HD11      LEU  10  -5.085  21.026   3.444
   75   HD12  LEU  10          HD12      LEU  10  -5.432  22.744   3.245
   76   HD13  LEU  10          HD13      LEU  10  -6.274  21.553   2.252
   77   HD21  LEU  10          HD21      LEU  10  -2.681  21.304   3.020
   78   HD22  LEU  10          HD22      LEU  10  -3.385  19.981   2.092
   79   HD23  LEU  10          HD23      LEU  10  -2.284  21.117   1.312
   80    H    ALA  11           H        ALA  11  -7.416  19.536   0.550
   81    HA   ALA  11           HA       ALA  11  -8.238  18.613  -2.005
   82    HB1  ALA  11           HB1      ALA  11  -9.729  19.401   0.478
   83    HB2  ALA  11           HB2      ALA  11 -10.564  18.911  -0.996
   84    HB3  ALA  11           HB3      ALA  11  -9.468  17.790  -0.189
   85    H    LEU  12           H        LEU  12  -8.368  19.870  -3.743
   86    HA   LEU  12           HA       LEU  12  -8.871  22.711  -3.505
   87    HB2  LEU  12           HB2      LEU  12  -7.230  21.585  -5.109
   88    HB3  LEU  12           HB3      LEU  12  -8.648  21.152  -6.062
   89    HG   LEU  12           HG       LEU  12  -7.385  23.188  -6.831
   90   HD11  LEU  12          HD11      LEU  12  -9.276  23.862  -7.799
   91   HD12  LEU  12          HD12      LEU  12 -10.077  22.620  -6.837
   92   HD13  LEU  12          HD13      LEU  12 -10.017  24.284  -6.255
   93   HD21  LEU  12          HD21      LEU  12  -7.593  25.235  -5.641
   94   HD22  LEU  12          HD22      LEU  12  -8.679  24.511  -4.455
   95   HD23  LEU  12          HD23      LEU  12  -6.981  24.037  -4.501
   96    H    TYR  13           H        TYR  13 -10.590  19.824  -4.426
   97    HA   TYR  13           HA       TYR  13 -13.029  21.428  -4.721
   98    HB2  TYR  13           HB2      TYR  13 -12.352  20.958  -6.988
   99    HB3  TYR  13           HB3      TYR  13 -12.102  19.257  -6.610
  100    HD1  TYR  13           HD1      TYR  13 -14.949  21.523  -5.783
  101    HD2  TYR  13           HD2      TYR  13 -13.630  18.073  -7.895
  102    HE1  TYR  13           HE1      TYR  13 -17.271  21.043  -6.436
  103    HE2  TYR  13           HE2      TYR  13 -15.949  17.584  -8.555
  104    HH   TYR  13           HH       TYR  13 -18.331  19.644  -8.568
  105    H    ASP  14           H        ASP  14 -14.821  20.558  -3.809
  106    HA   ASP  14           HA       ASP  14 -14.482  18.384  -1.992
  107    HB2  ASP  14           HB2      ASP  14 -16.205  20.529  -2.169
  108    HB3  ASP  14           HB3      ASP  14 -17.248  19.162  -2.554
  109    H    TYR  15           H        TYR  15 -14.127  16.450  -2.966
  110    HA   TYR  15           HA       TYR  15 -16.015  15.563  -5.030
  111    HB2  TYR  15           HB2      TYR  15 -13.289  15.393  -4.968
  112    HB3  TYR  15           HB3      TYR  15 -13.749  13.806  -4.363
  113    HD1  TYR  15           HD1      TYR  15 -14.370  16.161  -7.181
  114    HD2  TYR  15           HD2      TYR  15 -14.352  12.118  -5.855
  115    HE1  TYR  15           HE1      TYR  15 -14.781  15.409  -9.486
  116    HE2  TYR  15           HE2      TYR  15 -14.761  11.355  -8.157
  117    HH   TYR  15           HH       TYR  15 -14.677  13.560 -10.866
  118    H    GLN  16           H        GLN  16 -17.459  13.994  -4.661
  119    HA   GLN  16           HA       GLN  16 -17.532  12.816  -1.985
  120    HB2  GLN  16           HB2      GLN  16 -19.625  12.936  -4.162
  121    HB3  GLN  16           HB3      GLN  16 -19.858  12.174  -2.594
  122    HG2  GLN  16           HG2      GLN  16 -19.104  14.567  -1.742
  123    HG3  GLN  16           HG3      GLN  16 -19.741  15.043  -3.315
  124   HE21  GLN  16          HE21      GLN  16 -20.716  12.689  -0.842
  125   HE22  GLN  16          HE22      GLN  16 -22.345  13.248  -0.710
  126    H    GLU  17           H        GLU  17 -15.852  11.966  -4.405
  127    HA   GLU  17           HA       GLU  17 -15.253  10.052  -5.516
  128    HB2  GLU  17           HB2      GLU  17 -14.804   8.209  -4.065
  129    HB3  GLU  17           HB3      GLU  17 -14.554   9.679  -3.134
  130    HG2  GLU  17           HG2      GLU  17 -16.580   9.392  -1.955
  131    HG3  GLU  17           HG3      GLU  17 -17.120   8.123  -3.054
  132    H    LYS  18           H        LYS  18 -16.122   7.391  -5.182
  133    HA   LYS  18           HA       LYS  18 -18.886   7.013  -5.320
  134    HB2  LYS  18           HB2      LYS  18 -17.737   8.156  -7.705
  135    HB3  LYS  18           HB3      LYS  18 -18.378   6.555  -8.050
  136    HG2  LYS  18           HG2      LYS  18 -20.480   7.269  -7.952
  137    HG3  LYS  18           HG3      LYS  18 -20.198   8.142  -6.443
  138    HD2  LYS  18           HD2      LYS  18 -20.668   9.900  -7.829
  139    HD3  LYS  18           HD3      LYS  18 -18.920   9.802  -8.053
  140    HE2  LYS  18           HE2      LYS  18 -20.127   8.010  -9.887
  141    HE3  LYS  18           HE3      LYS  18 -20.992   9.543  -9.993
  142    HZ1  LYS  18           HZ1      LYS  18 -18.820   9.093 -11.374
  143    HZ2  LYS  18           HZ2      LYS  18 -19.166  10.630 -10.757
  144    HZ3  LYS  18           HZ3      LYS  18 -18.068   9.623  -9.954
  145    H    SER  19           H        SER  19 -15.774   6.030  -6.684
  146    HA   SER  19           HA       SER  19 -16.602   3.227  -6.616
  147    HB2  SER  19           HB2      SER  19 -14.815   4.754  -8.246
  148    HB3  SER  19           HB3      SER  19 -13.893   3.481  -7.446
  149    HG   SER  19           HG       SER  19 -14.833   2.808  -9.445
  150    HA   PRO  20           HA       PRO  20 -14.417   2.141  -2.972
  151    HB2  PRO  20           HB2      PRO  20 -13.278  -0.233  -3.635
  152    HB3  PRO  20           HB3      PRO  20 -15.015  -0.042  -3.367
  153    HG2  PRO  20           HG2      PRO  20 -13.494  -0.130  -5.944
  154    HG3  PRO  20           HG3      PRO  20 -15.030  -0.910  -5.525
  155    HD2  PRO  20           HD2      PRO  20 -14.904   1.376  -6.969
  156    HD3  PRO  20           HD3      PRO  20 -16.246   1.018  -5.864
  157    H    ARG  21           H        ARG  21 -12.609   2.282  -5.956
  158    HA   ARG  21           HA       ARG  21 -10.060   2.338  -4.533
  159    HB2  ARG  21           HB2      ARG  21  -9.018   2.229  -6.703
  160    HB3  ARG  21           HB3      ARG  21 -10.292   1.019  -6.629
  161    HG2  ARG  21           HG2      ARG  21 -11.128   3.617  -7.702
  162    HG3  ARG  21           HG3      ARG  21  -9.930   2.757  -8.671
  163    HD2  ARG  21           HD2      ARG  21 -12.638   1.774  -7.793
  164    HD3  ARG  21           HD3      ARG  21 -12.099   2.113  -9.438
  165    HE   ARG  21           HE       ARG  21 -10.380   0.198  -8.610
  166   HH11  ARG  21          HH11      ARG  21 -13.853   0.445  -8.626
  167   HH12  ARG  21          HH12      ARG  21 -14.104  -1.260  -8.803
  168   HH21  ARG  21          HH21      ARG  21 -10.698  -2.049  -8.844
  169   HH22  ARG  21          HH22      ARG  21 -12.309  -2.678  -8.926
  170    H    GLU  22           H        GLU  22 -12.208   4.501  -4.525
  171    HA   GLU  22           HA       GLU  22 -10.529   6.721  -5.489
  172    HB2  GLU  22           HB2      GLU  22 -13.502   6.396  -5.261
  173    HB3  GLU  22           HB3      GLU  22 -12.787   8.002  -5.239
  174    HG2  GLU  22           HG2      GLU  22 -11.698   7.485  -7.409
  175    HG3  GLU  22           HG3      GLU  22 -12.581   5.960  -7.438
  176    H    VAL  23           H        VAL  23 -10.665   8.731  -4.197
  177    HA   VAL  23           HA       VAL  23 -10.942   8.131  -1.323
  178    HB   VAL  23           HB       VAL  23  -8.846   9.699  -2.784
  179   HG11  VAL  23          HG11      VAL  23  -8.206  10.308  -0.277
  180   HG12  VAL  23          HG12      VAL  23  -9.236  11.345  -1.263
  181   HG13  VAL  23          HG13      VAL  23  -9.958  10.244  -0.090
  182   HG21  VAL  23          HG21      VAL  23  -7.553   7.996  -2.182
  183   HG22  VAL  23          HG22      VAL  23  -7.960   8.248  -0.485
  184   HG23  VAL  23          HG23      VAL  23  -8.965   7.201  -1.486
  185    H    THR  24           H        THR  24 -12.183   9.453  -0.134
  186    HA   THR  24           HA       THR  24 -13.854  11.360  -1.402
  187    HB   THR  24           HB       THR  24 -13.395  10.929   1.557
  188    HG1  THR  24           HG1      THR  24 -14.991   9.648  -0.371
  189   HG21  THR  24          HG21      THR  24 -15.734  12.200   0.130
  190   HG22  THR  24          HG22      THR  24 -15.539  12.006   1.872
  191   HG23  THR  24          HG23      THR  24 -14.470  13.089   0.980
  192    H    MET  25           H        MET  25 -13.319  13.352  -1.984
  193    HA   MET  25           HA       MET  25 -11.135  14.713  -0.578
  194    HB2  MET  25           HB2      MET  25 -11.076  14.423  -3.089
  195    HB3  MET  25           HB3      MET  25 -12.435  15.535  -3.175
  196    HG2  MET  25           HG2      MET  25 -10.610  16.894  -3.572
  197    HG3  MET  25           HG3      MET  25 -10.935  17.147  -1.858
  198    HE1  MET  25           HE1      MET  25  -7.742  16.812  -4.088
  199    HE2  MET  25           HE2      MET  25  -7.441  15.088  -3.870
  200    HE3  MET  25           HE3      MET  25  -8.967  15.636  -4.564
  201    H    LYS  26           H        LYS  26 -11.493  16.428   0.682
  202    HA   LYS  26           HA       LYS  26 -14.149  17.703   0.568
  203    HB2  LYS  26           HB2      LYS  26 -12.659  16.557   2.822
  204    HB3  LYS  26           HB3      LYS  26 -13.268  18.179   3.124
  205    HG2  LYS  26           HG2      LYS  26 -15.156  16.236   1.936
  206    HG3  LYS  26           HG3      LYS  26 -14.689  15.986   3.620
  207    HD2  LYS  26           HD2      LYS  26 -15.365  18.287   4.138
  208    HD3  LYS  26           HD3      LYS  26 -15.846  18.521   2.455
  209    HE2  LYS  26           HE2      LYS  26 -17.003  16.200   3.891
  210    HE3  LYS  26           HE3      LYS  26 -17.566  17.802   4.366
  211    HZ1  LYS  26           HZ1      LYS  26 -17.665  17.938   1.683
  212    HZ2  LYS  26           HZ2      LYS  26 -18.070  16.316   1.944
  213    HZ3  LYS  26           HZ3      LYS  26 -18.981  17.543   2.672
  214    H    LYS  27           H        LYS  27 -13.668  19.506  -0.589
  215    HA   LYS  27           HA       LYS  27 -11.464  21.004  -0.825
  216    HB2  LYS  27           HB2      LYS  27 -13.830  21.442  -1.737
  217    HB3  LYS  27           HB3      LYS  27 -14.084  22.380  -0.271
  218    HG2  LYS  27           HG2      LYS  27 -12.254  23.854  -0.863
  219    HG3  LYS  27           HG3      LYS  27 -11.915  22.886  -2.300
  220    HD2  LYS  27           HD2      LYS  27 -14.217  23.397  -3.105
  221    HD3  LYS  27           HD3      LYS  27 -14.409  24.485  -1.729
  222    HE2  LYS  27           HE2      LYS  27 -12.033  25.316  -2.801
  223    HE3  LYS  27           HE3      LYS  27 -12.946  24.854  -4.237
  224    HZ1  LYS  27           HZ1      LYS  27 -13.182  27.190  -2.745
  225    HZ2  LYS  27           HZ2      LYS  27 -14.108  26.713  -4.078
  226    HZ3  LYS  27           HZ3      LYS  27 -14.614  26.320  -2.512
  227    H    GLY  28           H        GLY  28 -10.021  21.521   0.695
  228    HA2  GLY  28           HA2      GLY  28  -9.351  23.104   2.362
  229    HA3  GLY  28           HA3      GLY  28 -10.980  23.049   3.019
  230    H    ASP  29           H        ASP  29  -9.147  20.195   2.137
  231    HA   ASP  29           HA       ASP  29  -8.720  19.611   4.988
  232    HB2  ASP  29           HB2      ASP  29  -9.908  17.771   2.906
  233    HB3  ASP  29           HB3      ASP  29  -9.304  17.212   4.463
  234    H    ILE  30           H        ILE  30  -7.393  17.349   4.989
  235    HA   ILE  30           HA       ILE  30  -5.200  17.635   3.048
  236    HB   ILE  30           HB       ILE  30  -5.075  17.968   5.927
  237   HG12  ILE  30          HG12      ILE  30  -4.111  19.354   3.948
  238   HG13  ILE  30          HG13      ILE  30  -3.159  19.197   5.420
  239   HG21  ILE  30          HG21      ILE  30  -3.300  15.878   4.678
  240   HG22  ILE  30          HG22      ILE  30  -2.986  16.648   6.233
  241   HG23  ILE  30          HG23      ILE  30  -4.431  15.661   6.014
  242   HD11  ILE  30          HD11      ILE  30  -2.740  17.249   3.211
  243   HD12  ILE  30          HD12      ILE  30  -2.061  18.871   3.081
  244   HD13  ILE  30          HD13      ILE  30  -1.610  17.832   4.433
  245    H    LEU  31           H        LEU  31  -4.271  15.761   2.333
  246    HA   LEU  31           HA       LEU  31  -5.249  13.239   3.486
  247    HB2  LEU  31           HB2      LEU  31  -4.907  12.650   0.831
  248    HB3  LEU  31           HB3      LEU  31  -6.448  12.930   1.639
  249    HG   LEU  31           HG       LEU  31  -4.965  15.240   0.459
  250   HD11  LEU  31          HD11      LEU  31  -5.506  14.788  -1.690
  251   HD12  LEU  31          HD12      LEU  31  -5.344  13.124  -1.127
  252   HD13  LEU  31          HD13      LEU  31  -6.941  13.861  -1.253
  253   HD21  LEU  31          HD21      LEU  31  -6.998  16.300   0.511
  254   HD22  LEU  31          HD22      LEU  31  -7.910  14.796   0.376
  255   HD23  LEU  31          HD23      LEU  31  -7.153  15.234   1.907
  256    H    THR  32           H        THR  32  -3.886  11.387   3.060
  257    HA   THR  32           HA       THR  32  -1.065  12.155   2.927
  258    HB   THR  32           HB       THR  32  -2.127   9.432   3.666
  259    HG1  THR  32           HG1      THR  32  -2.804  10.270   5.478
  260   HG21  THR  32          HG21      THR  32  -0.015   9.204   4.827
  261   HG22  THR  32          HG22      THR  32   0.288   9.665   3.152
  262   HG23  THR  32          HG23      THR  32   0.416  10.869   4.434
  263    H    LEU  33           H        LEU  33  -0.198  12.088   0.958
  264    HA   LEU  33           HA       LEU  33  -1.216  10.635  -1.220
  265    HB2  LEU  33           HB2      LEU  33   1.277  12.136  -0.642
  266    HB3  LEU  33           HB3      LEU  33   1.289  11.037  -2.020
  267    HG   LEU  33           HG       LEU  33   0.783  13.440  -2.547
  268   HD11  LEU  33          HD11      LEU  33  -0.460  12.818  -4.333
  269   HD12  LEU  33          HD12      LEU  33  -0.047  11.205  -3.750
  270   HD13  LEU  33          HD13      LEU  33  -1.615  11.911  -3.356
  271   HD21  LEU  33          HD21      LEU  33  -1.559  14.164  -2.125
  272   HD22  LEU  33          HD22      LEU  33  -1.752  12.774  -1.057
  273   HD23  LEU  33          HD23      LEU  33  -0.580  14.032  -0.664
  274    H    LEU  34           H        LEU  34  -0.572   8.733  -2.202
  275    HA   LEU  34           HA       LEU  34   1.173   6.992  -0.586
  276    HB2  LEU  34           HB2      LEU  34  -1.470   6.530  -1.829
  277    HB3  LEU  34           HB3      LEU  34  -0.309   5.208  -1.934
  278    HG   LEU  34           HG       LEU  34  -1.003   6.490   0.693
  279   HD11  LEU  34          HD11      LEU  34  -3.070   5.692   0.534
  280   HD12  LEU  34          HD12      LEU  34  -2.709   4.872  -0.986
  281   HD13  LEU  34          HD13      LEU  34  -2.365   4.075   0.549
  282   HD21  LEU  34          HD21      LEU  34   0.863   5.173   1.001
  283   HD22  LEU  34          HD22      LEU  34  -0.437   4.030   1.341
  284   HD23  LEU  34          HD23      LEU  34   0.373   4.004  -0.226
  285    H    ASN  35           H        ASN  35  -0.189   7.203  -3.881
  286    HA   ASN  35           HA       ASN  35   2.223   5.992  -4.962
  287    HB2  ASN  35           HB2      ASN  35   0.060   5.245  -5.826
  288    HB3  ASN  35           HB3      ASN  35  -0.327   6.889  -6.324
  289   HD21  ASN  35          HD21      ASN  35   2.710   5.113  -6.612
  290   HD22  ASN  35          HD22      ASN  35   2.787   5.174  -8.337
  291    H    SER  36           H        SER  36   0.291   8.785  -6.042
  292    HA   SER  36           HA       SER  36   0.886  10.862  -6.761
  293    HB2  SER  36           HB2      SER  36   2.887  10.199  -4.772
  294    HB3  SER  36           HB3      SER  36   3.573  11.206  -6.047
  295    HG   SER  36           HG       SER  36   2.065  11.976  -4.035
  296    H    THR  37           H        THR  37   1.653   8.233  -8.141
  297    HA   THR  37           HA       THR  37   3.794   9.204  -9.891
  298    HB   THR  37           HB       THR  37   2.506   6.470  -9.762
  299    HG1  THR  37           HG1      THR  37   3.894   7.169  -7.951
  300   HG21  THR  37          HG21      THR  37   3.374   6.958 -11.987
  301   HG22  THR  37          HG22      THR  37   4.920   7.448 -11.294
  302   HG23  THR  37          HG23      THR  37   4.395   5.769 -11.177
  303    H    ASN  38           H        ASN  38   0.398   8.345  -9.881
  304    HA   ASN  38           HA       ASN  38   0.211   8.842 -12.761
  305    HB2  ASN  38           HB2      ASN  38  -0.910   6.837 -12.048
  306    HB3  ASN  38           HB3      ASN  38  -1.762   7.704 -10.774
  307   HD21  ASN  38          HD21      ASN  38  -1.223   8.481 -14.186
  308   HD22  ASN  38          HD22      ASN  38  -2.896   8.600 -14.601
  309    H    LYS  39           H        LYS  39   0.225  11.007 -13.072
  310    HA   LYS  39           HA       LYS  39  -0.717  13.013 -11.462
  311    HB2  LYS  39           HB2      LYS  39   0.551  13.559 -13.413
  312    HB3  LYS  39           HB3      LYS  39  -0.650  12.835 -14.474
  313    HG2  LYS  39           HG2      LYS  39  -2.250  14.586 -13.820
  314    HG3  LYS  39           HG3      LYS  39  -0.999  15.328 -12.821
  315    HD2  LYS  39           HD2      LYS  39   0.392  15.325 -15.014
  316    HD3  LYS  39           HD3      LYS  39  -1.174  15.129 -15.804
  317    HE2  LYS  39           HE2      LYS  39  -1.925  17.146 -14.441
  318    HE3  LYS  39           HE3      LYS  39  -0.219  17.398 -14.079
  319    HZ1  LYS  39           HZ1      LYS  39  -0.036  18.448 -16.002
  320    HZ2  LYS  39           HZ2      LYS  39  -0.430  17.023 -16.825
  321    HZ3  LYS  39           HZ3      LYS  39  -1.648  18.116 -16.395
  322    H    ASP  40           H        ASP  40  -2.540  11.327 -14.011
  323    HA   ASP  40           HA       ASP  40  -4.940  12.655 -13.851
  324    HB2  ASP  40           HB2      ASP  40  -4.542  10.947 -15.525
  325    HB3  ASP  40           HB3      ASP  40  -4.464   9.700 -14.284
  326    H    TRP  41           H        TRP  41  -3.884   9.894 -11.878
  327    HA   TRP  41           HA       TRP  41  -5.797  10.729  -9.820
  328    HB2  TRP  41           HB2      TRP  41  -5.568   7.991 -11.049
  329    HB3  TRP  41           HB3      TRP  41  -6.198   8.211  -9.419
  330    HD1  TRP  41           HD1      TRP  41  -7.123   8.668 -13.070
  331    HE1  TRP  41           HE1      TRP  41  -9.610   9.309 -13.234
  332    HE3  TRP  41           HE3      TRP  41  -8.084   9.467  -8.113
  333    HZ2  TRP  41           HZ2      TRP  41 -11.702  10.057 -11.493
  334    HZ3  TRP  41           HZ3      TRP  41 -10.354  10.144  -7.446
  335    HH2  TRP  41           HH2      TRP  41 -12.124  10.432  -9.102
  336    H    TRP  42           H        TRP  42  -4.690  11.106  -8.028
  337    HA   TRP  42           HA       TRP  42  -2.153   9.712  -7.588
  338    HB2  TRP  42           HB2      TRP  42  -3.345  12.250  -6.506
  339    HB3  TRP  42           HB3      TRP  42  -2.000  11.466  -5.681
  340    HD1  TRP  42           HD1      TRP  42  -0.713  10.590  -8.673
  341    HE1  TRP  42           HE1      TRP  42   0.652  12.408  -9.881
  342    HE3  TRP  42           HE3      TRP  42  -2.487  14.707  -6.214
  343    HZ2  TRP  42           HZ2      TRP  42   0.939  15.215  -9.801
  344    HZ3  TRP  42           HZ3      TRP  42  -1.615  16.921  -6.840
  345    HH2  TRP  42           HH2      TRP  42   0.063  17.167  -8.596
  346    H    LYS  43           H        LYS  43  -2.435   7.826  -6.568
  347    HA   LYS  43           HA       LYS  43  -4.552   7.160  -4.867
  348    HB2  LYS  43           HB2      LYS  43  -3.195   5.453  -5.927
  349    HB3  LYS  43           HB3      LYS  43  -1.769   5.995  -5.051
  350    HG2  LYS  43           HG2      LYS  43  -3.442   5.468  -2.996
  351    HG3  LYS  43           HG3      LYS  43  -3.987   4.278  -4.181
  352    HD2  LYS  43           HD2      LYS  43  -1.061   4.575  -3.751
  353    HD3  LYS  43           HD3      LYS  43  -2.003   3.776  -2.490
  354    HE2  LYS  43           HE2      LYS  43  -1.857   1.909  -3.690
  355    HE3  LYS  43           HE3      LYS  43  -2.917   2.669  -4.876
  356    HZ1  LYS  43           HZ1      LYS  43   0.049   2.828  -4.881
  357    HZ2  LYS  43           HZ2      LYS  43  -0.877   1.825  -5.880
  358    HZ3  LYS  43           HZ3      LYS  43  -0.985   3.506  -6.036
  359    H    VAL  44           H        VAL  44  -4.954   7.505  -2.771
  360    HA   VAL  44           HA       VAL  44  -2.775   8.303  -0.990
  361    HB   VAL  44           HB       VAL  44  -3.932  10.213  -0.120
  362   HG11  VAL  44          HG11      VAL  44  -3.431  11.668  -1.797
  363   HG12  VAL  44          HG12      VAL  44  -2.688  10.215  -2.467
  364   HG13  VAL  44          HG13      VAL  44  -4.284  10.725  -3.020
  365   HG21  VAL  44          HG21      VAL  44  -6.066  10.993  -1.091
  366   HG22  VAL  44          HG22      VAL  44  -6.145   9.513  -2.047
  367   HG23  VAL  44          HG23      VAL  44  -6.214   9.431  -0.287
  368    H    GLU  45           H        GLU  45  -3.654   8.510   1.329
  369    HA   GLU  45           HA       GLU  45  -5.661   6.399   1.780
  370    HB2  GLU  45           HB2      GLU  45  -3.574   5.480   2.435
  371    HB3  GLU  45           HB3      GLU  45  -3.088   6.965   3.242
  372    HG2  GLU  45           HG2      GLU  45  -4.504   6.586   5.055
  373    HG3  GLU  45           HG3      GLU  45  -5.458   5.392   4.177
  374    H    VAL  46           H        VAL  46  -7.410   7.038   2.841
  375    HA   VAL  46           HA       VAL  46  -7.199   9.187   4.820
  376    HB   VAL  46           HB       VAL  46  -9.419  10.088   3.915
  377   HG11  VAL  46          HG11      VAL  46  -7.130  11.153   3.737
  378   HG12  VAL  46          HG12      VAL  46  -7.057  10.503   2.099
  379   HG13  VAL  46          HG13      VAL  46  -8.317  11.658   2.534
  380   HG21  VAL  46          HG21      VAL  46  -8.527   8.987   1.283
  381   HG22  VAL  46          HG22      VAL  46  -9.555   8.018   2.339
  382   HG23  VAL  46          HG23      VAL  46 -10.111   9.591   1.767
  383    H    ASN  47           H        ASN  47  -8.350   8.804   6.615
  384    HA   ASN  47           HA       ASN  47  -9.469   7.494   8.136
  385    HB2  ASN  47           HB2      ASN  47 -11.946   7.173   7.305
  386    HB3  ASN  47           HB3      ASN  47 -11.331   8.782   7.673
  387   HD21  ASN  47          HD21      ASN  47 -12.211   6.555   5.148
  388   HD22  ASN  47          HD22      ASN  47 -12.306   7.722   3.878
  389    H    ASP  48           H        ASP  48  -7.933   5.701   7.399
  390    HA   ASP  48           HA       ASP  48  -7.526   3.556   6.679
  391    HB2  ASP  48           HB2      ASP  48  -9.033   3.497   8.825
  392    HB3  ASP  48           HB3      ASP  48 -10.251   2.868   7.719
  393    H    ARG  49           H        ARG  49  -8.639   5.150   4.615
  394    HA   ARG  49           HA       ARG  49  -9.785   3.035   2.976
  395    HB2  ARG  49           HB2      ARG  49 -11.308   5.293   3.978
  396    HB3  ARG  49           HB3      ARG  49 -11.270   5.275   2.220
  397    HG2  ARG  49           HG2      ARG  49 -12.009   2.857   3.839
  398    HG3  ARG  49           HG3      ARG  49 -13.191   4.065   3.332
  399    HD2  ARG  49           HD2      ARG  49 -11.620   3.375   1.073
  400    HD3  ARG  49           HD3      ARG  49 -12.131   1.879   1.854
  401    HE   ARG  49           HE       ARG  49 -13.765   3.659   0.367
  402   HH11  ARG  49          HH11      ARG  49 -13.787   1.541   3.130
  403   HH12  ARG  49          HH12      ARG  49 -15.488   1.227   3.040
  404   HH21  ARG  49          HH21      ARG  49 -16.006   3.254   0.238
  405   HH22  ARG  49          HH22      ARG  49 -16.749   2.201   1.394
  406    H    GLN  50           H        GLN  50  -7.754   3.101   1.930
  407    HA   GLN  50           HA       GLN  50  -6.989   5.569   0.585
  408    HB2  GLN  50           HB2      GLN  50  -4.925   4.516   0.094
  409    HB3  GLN  50           HB3      GLN  50  -5.328   4.041   1.738
  410    HG2  GLN  50           HG2      GLN  50  -4.722   2.018   0.943
  411    HG3  GLN  50           HG3      GLN  50  -6.420   1.985   0.467
  412   HE21  GLN  50          HE21      GLN  50  -3.172   2.717  -0.680
  413   HE22  GLN  50          HE22      GLN  50  -3.482   2.363  -2.343
  414    H    GLY  51           H        GLY  51  -6.892   5.834  -1.636
  415    HA2  GLY  51           HA2      GLY  51  -7.645   3.691  -3.419
  416    HA3  GLY  51           HA3      GLY  51  -8.883   4.925  -3.232
  417    H    PHE  52           H        PHE  52  -8.823   6.565  -4.613
  418    HA   PHE  52           HA       PHE  52  -6.257   7.466  -5.678
  419    HB2  PHE  52           HB2      PHE  52  -8.515   6.332  -7.292
  420    HB3  PHE  52           HB3      PHE  52  -7.489   7.585  -7.983
  421    HD1  PHE  52           HD1      PHE  52  -7.906   4.125  -7.519
  422    HD2  PHE  52           HD2      PHE  52  -4.920   7.143  -7.831
  423    HE1  PHE  52           HE1      PHE  52  -6.248   2.416  -8.139
  424    HE2  PHE  52           HE2      PHE  52  -3.258   5.439  -8.453
  425    HZ   PHE  52           HZ       PHE  52  -3.921   3.072  -8.608
  426    H    VAL  53           H        VAL  53  -6.139   9.607  -5.616
  427    HA   VAL  53           HA       VAL  53  -8.651  11.141  -5.475
  428    HB   VAL  53           HB       VAL  53  -6.416  11.155  -3.755
  429   HG11  VAL  53          HG11      VAL  53  -5.327  12.663  -5.364
  430   HG12  VAL  53          HG12      VAL  53  -6.692  13.772  -5.230
  431   HG13  VAL  53          HG13      VAL  53  -5.667  13.462  -3.829
  432   HG21  VAL  53          HG21      VAL  53  -7.776  12.454  -2.400
  433   HG22  VAL  53          HG22      VAL  53  -8.500  13.302  -3.766
  434   HG23  VAL  53          HG23      VAL  53  -8.945  11.629  -3.431
  435    HA   PRO  54           HA       PRO  54  -7.594  13.086  -9.285
  436    HB2  PRO  54           HB2      PRO  54  -9.110  15.324  -9.039
  437    HB3  PRO  54           HB3      PRO  54  -9.796  13.733  -9.387
  438    HG2  PRO  54           HG2      PRO  54  -9.624  15.193  -6.779
  439    HG3  PRO  54           HG3      PRO  54 -10.979  14.271  -7.459
  440    HD2  PRO  54           HD2      PRO  54  -9.324  13.252  -5.573
  441    HD3  PRO  54           HD3      PRO  54 -10.083  12.245  -6.822
  442    H    ALA  55           H        ALA  55  -5.679  14.006  -9.646
  443    HA   ALA  55           HA       ALA  55  -4.311  15.646  -7.813
  444    HB1  ALA  55           HB1      ALA  55  -3.802  15.449 -10.777
  445    HB2  ALA  55           HB2      ALA  55  -2.657  15.930  -9.524
  446    HB3  ALA  55           HB3      ALA  55  -3.245  14.268  -9.591
  447    H    ALA  56           H        ALA  56  -5.800  16.501 -10.942
  448    HA   ALA  56           HA       ALA  56  -5.386  19.211 -10.934
  449    HB1  ALA  56           HB1      ALA  56  -6.383  18.001 -12.808
  450    HB2  ALA  56           HB2      ALA  56  -7.872  17.791 -11.886
  451    HB3  ALA  56           HB3      ALA  56  -7.352  19.407 -12.366
  452    H    TYR  57           H        TYR  57  -7.738  17.379  -9.093
  453    HA   TYR  57           HA       TYR  57  -8.971  19.824  -8.079
  454    HB2  TYR  57           HB2      TYR  57  -9.647  16.900  -7.786
  455    HB3  TYR  57           HB3      TYR  57 -10.454  18.151  -6.847
  456    HD1  TYR  57           HD1      TYR  57 -11.020  20.280  -8.617
  457    HD2  TYR  57           HD2      TYR  57 -11.011  16.110  -9.464
  458    HE1  TYR  57           HE1      TYR  57 -12.594  20.659 -10.469
  459    HE2  TYR  57           HE2      TYR  57 -12.584  16.478 -11.319
  460    HH   TYR  57           HH       TYR  57 -13.094  18.748 -12.877
  461    H    VAL  58           H        VAL  58  -6.282  19.468  -7.375
  462    HA   VAL  58           HA       VAL  58  -6.543  19.391  -4.474
  463    HB   VAL  58           HB       VAL  58  -5.651  17.126  -5.645
  464   HG11  VAL  58          HG11      VAL  58  -3.317  16.993  -5.756
  465   HG12  VAL  58          HG12      VAL  58  -3.702  18.522  -6.546
  466   HG13  VAL  58          HG13      VAL  58  -3.099  18.513  -4.889
  467   HG21  VAL  58          HG21      VAL  58  -6.157  17.628  -3.228
  468   HG22  VAL  58          HG22      VAL  58  -4.839  16.490  -3.506
  469   HG23  VAL  58          HG23      VAL  58  -4.484  18.161  -3.070
  470    H    LYS  59           H        LYS  59  -4.378  20.051  -3.446
  471    HA   LYS  59           HA       LYS  59  -2.688  21.714  -5.105
  472    HB2  LYS  59           HB2      LYS  59  -4.898  22.943  -4.144
  473    HB3  LYS  59           HB3      LYS  59  -3.798  23.192  -2.794
  474    HG2  LYS  59           HG2      LYS  59  -2.586  24.708  -3.904
  475    HG3  LYS  59           HG3      LYS  59  -2.633  23.789  -5.410
  476    HD2  LYS  59           HD2      LYS  59  -3.810  25.782  -5.852
  477    HD3  LYS  59           HD3      LYS  59  -5.050  24.547  -5.621
  478    HE2  LYS  59           HE2      LYS  59  -5.501  25.316  -3.406
  479    HE3  LYS  59           HE3      LYS  59  -4.106  26.393  -3.435
  480    HZ1  LYS  59           HZ1      LYS  59  -5.960  26.873  -5.576
  481    HZ2  LYS  59           HZ2      LYS  59  -6.647  27.098  -4.046
  482    HZ3  LYS  59           HZ3      LYS  59  -5.261  27.963  -4.487
  483    H    LYS  60           H        LYS  60  -0.732  21.123  -4.455
  484    HA   LYS  60           HA       LYS  60  -0.164  19.952  -1.951
  485    HB2  LYS  60           HB2      LYS  60   1.125  19.891  -4.249
  486    HB3  LYS  60           HB3      LYS  60   1.978  21.270  -3.569
  487    HG2  LYS  60           HG2      LYS  60   1.715  18.740  -2.002
  488    HG3  LYS  60           HG3      LYS  60   2.947  18.897  -3.256
  489    HD2  LYS  60           HD2      LYS  60   2.811  21.185  -1.438
  490    HD3  LYS  60           HD3      LYS  60   3.231  19.667  -0.642
  491    HE2  LYS  60           HE2      LYS  60   4.994  19.332  -2.374
  492    HE3  LYS  60           HE3      LYS  60   4.628  20.943  -2.990
  493    HZ1  LYS  60           HZ1      LYS  60   5.973  21.787  -1.469
  494    HZ2  LYS  60           HZ2      LYS  60   5.028  21.131  -0.228
  495    HZ3  LYS  60           HZ3      LYS  60   6.316  20.241  -0.871
  496    H    LEU  61           H        LEU  61  -0.872  21.325  -0.312
  497    HA   LEU  61           HA       LEU  61   0.691  23.803   0.011
  498    HB2  LEU  61           HB2      LEU  61  -1.996  23.208   1.232
  499    HB3  LEU  61           HB3      LEU  61  -1.127  24.741   1.254
  500    HG   LEU  61           HG       LEU  61  -2.103  23.491  -1.301
  501   HD11  LEU  61          HD11      LEU  61  -4.191  23.864  -0.632
  502   HD12  LEU  61          HD12      LEU  61  -3.657  24.708   0.822
  503   HD13  LEU  61          HD13      LEU  61  -3.807  25.584  -0.702
  504   HD21  LEU  61          HD21      LEU  61  -2.134  26.087  -1.766
  505   HD22  LEU  61          HD22      LEU  61  -0.946  26.101  -0.463
  506   HD23  LEU  61          HD23      LEU  61  -0.650  25.145  -1.916
  507    H    ASP  62           H        ASP  62   1.993  21.639   0.807
  508    HA   ASP  62           HA       ASP  62   2.065  21.955   3.691
  509    HB2  ASP  62           HB2      ASP  62   0.643  19.825   2.683
  510    HB3  ASP  62           HB3      ASP  62   2.234  19.122   2.959
  Start of MODEL    6
    1    H1   MET   1           H        MET   1  -0.541  -0.593  -0.826
    2    HA   MET   1           HA       MET   1   1.887  -0.881  -1.657
    3    HB2  MET   1           HB2      MET   1  -0.151   0.678  -3.252
    4    HB3  MET   1           HB3      MET   1   1.320  -0.004  -3.933
    5    HG2  MET   1           HG2      MET   1   0.357  -2.210  -2.826
    6    HG3  MET   1           HG3      MET   1  -1.163  -1.346  -3.042
    7    HE1  MET   1           HE1      MET   1  -0.296  -4.002  -3.972
    8    HE2  MET   1           HE2      MET   1  -0.758  -4.168  -5.666
    9    HE3  MET   1           HE3      MET   1   0.944  -4.024  -5.226
   10    H    ASP   2           H        ASP   2   0.624   2.326  -2.516
   11    HA   ASP   2           HA       ASP   2   1.544   4.409  -2.397
   12    HB2  ASP   2           HB2      ASP   2   3.820   3.423  -0.719
   13    HB3  ASP   2           HB3      ASP   2   2.964   4.961  -0.646
   14    H    GLU   3           H        GLU   3   4.424   2.321  -2.164
   15    HA   GLU   3           HA       GLU   3   6.097   1.899  -3.670
   16    HB2  GLU   3           HB2      GLU   3   4.087   2.126  -5.349
   17    HB3  GLU   3           HB3      GLU   3   4.846   3.664  -5.736
   18    HG2  GLU   3           HG2      GLU   3   6.912   1.785  -5.755
   19    HG3  GLU   3           HG3      GLU   3   5.555   1.013  -6.574
   20    H    THR   4           H        THR   4   4.850   5.223  -3.883
   21    HA   THR   4           HA       THR   4   7.313   6.302  -2.888
   22    HB   THR   4           HB       THR   4   6.593   7.192  -5.672
   23    HG1  THR   4           HG1      THR   4   7.834   5.643  -6.502
   24   HG21  THR   4          HG21      THR   4   8.913   7.572  -3.807
   25   HG22  THR   4          HG22      THR   4   9.106   7.783  -5.548
   26   HG23  THR   4          HG23      THR   4   7.962   8.788  -4.659
   27    H    GLY   5           H        GLY   5   5.406   6.839  -1.452
   28    HA2  GLY   5           HA2      GLY   5   3.794   9.072  -2.446
   29    HA3  GLY   5           HA3      GLY   5   3.537   8.199  -0.943
   30    H    LYS   6           H        LYS   6   4.400   8.969   0.912
   31    HA   LYS   6           HA       LYS   6   5.203  10.566   2.333
   32    HB2  LYS   6           HB2      LYS   6   7.416  10.063   0.386
   33    HB3  LYS   6           HB3      LYS   6   7.611  11.336   1.584
   34    HG2  LYS   6           HG2      LYS   6   8.576   9.501   2.605
   35    HG3  LYS   6           HG3      LYS   6   6.951   9.524   3.293
   36    HD2  LYS   6           HD2      LYS   6   6.254   7.846   1.622
   37    HD3  LYS   6           HD3      LYS   6   7.910   7.792   1.014
   38    HE2  LYS   6           HE2      LYS   6   8.416   6.277   2.555
   39    HE3  LYS   6           HE3      LYS   6   8.020   7.440   3.820
   40    HZ1  LYS   6           HZ1      LYS   6   6.307   5.356   2.627
   41    HZ2  LYS   6           HZ2      LYS   6   6.630   5.661   4.260
   42    HZ3  LYS   6           HZ3      LYS   6   5.619   6.701   3.389
   43    H    GLU   7           H        GLU   7   3.399  11.928   1.368
   44    HA   GLU   7           HA       GLU   7   4.376  14.558   0.956
   45    HB2  GLU   7           HB2      GLU   7   3.933  12.970  -1.401
   46    HB3  GLU   7           HB3      GLU   7   2.783  14.299  -1.358
   47    HG2  GLU   7           HG2      GLU   7   5.209  15.455  -0.664
   48    HG3  GLU   7           HG3      GLU   7   5.605  14.318  -1.951
   49    H    LEU   8           H        LEU   8   2.588  16.134   0.659
   50    HA   LEU   8           HA       LEU   8  -0.020  15.074   1.500
   51    HB2  LEU   8           HB2      LEU   8   1.775  16.671   3.054
   52    HB3  LEU   8           HB3      LEU   8   0.313  17.596   2.716
   53    HG   LEU   8           HG       LEU   8  -1.055  15.983   3.811
   54   HD11  LEU   8          HD11      LEU   8   0.010  13.958   4.868
   55   HD12  LEU   8          HD12      LEU   8  -0.129  13.924   3.110
   56   HD13  LEU   8          HD13      LEU   8   1.424  14.282   3.865
   57   HD21  LEU   8          HD21      LEU   8   0.864  15.789   5.907
   58   HD22  LEU   8          HD22      LEU   8   1.048  17.353   5.112
   59   HD23  LEU   8          HD23      LEU   8  -0.518  16.876   5.768
   60    H    VAL   9           H        VAL   9  -1.825  16.406   0.983
   61    HA   VAL   9           HA       VAL   9  -1.347  18.705  -0.748
   62    HB   VAL   9           HB       VAL   9  -2.778  17.892  -2.529
   63   HG11  VAL   9          HG11      VAL   9  -0.556  15.982  -1.819
   64   HG12  VAL   9          HG12      VAL   9  -1.337  16.064  -3.398
   65   HG13  VAL   9          HG13      VAL   9  -0.430  17.449  -2.790
   66   HG21  VAL   9          HG21      VAL   9  -3.013  15.426  -0.817
   67   HG22  VAL   9          HG22      VAL   9  -4.306  16.482  -1.385
   68   HG23  VAL   9          HG23      VAL   9  -3.438  15.458  -2.529
   69    H    LEU  10           H        LEU  10  -3.449  19.783  -1.345
   70    HA   LEU  10           HA       LEU  10  -5.362  19.524   0.881
   71    HB2  LEU  10           HB2      LEU  10  -4.179  21.883  -0.483
   72    HB3  LEU  10           HB3      LEU  10  -5.842  22.007   0.087
   73    HG   LEU  10           HG       LEU  10  -4.076  22.906   1.638
   74   HD11  LEU  10          HD11      LEU  10  -5.410  20.737   3.128
   75   HD12  LEU  10          HD12      LEU  10  -5.406  22.478   3.410
   76   HD13  LEU  10          HD13      LEU  10  -6.454  21.788   2.171
   77   HD21  LEU  10          HD21      LEU  10  -2.408  21.146   1.258
   78   HD22  LEU  10          HD22      LEU  10  -2.811  21.315   2.967
   79   HD23  LEU  10          HD23      LEU  10  -3.477  19.976   2.032
   80    H    ALA  11           H        ALA  11  -7.548  19.590   0.445
   81    HA   ALA  11           HA       ALA  11  -8.360  18.682  -2.125
   82    HB1  ALA  11           HB1      ALA  11  -9.618  19.122   0.486
   83    HB2  ALA  11           HB2      ALA  11 -10.693  19.348  -0.894
   84    HB3  ALA  11           HB3      ALA  11  -9.843  17.818  -0.680
   85    H    LEU  12           H        LEU  12  -8.324  20.019  -3.822
   86    HA   LEU  12           HA       LEU  12  -8.826  22.839  -3.568
   87    HB2  LEU  12           HB2      LEU  12  -7.228  21.723  -5.195
   88    HB3  LEU  12           HB3      LEU  12  -8.653  21.263  -6.124
   89    HG   LEU  12           HG       LEU  12  -8.173  24.140  -5.460
   90   HD11  LEU  12          HD11      LEU  12  -6.633  24.474  -7.113
   91   HD12  LEU  12          HD12      LEU  12  -6.132  22.880  -6.548
   92   HD13  LEU  12          HD13      LEU  12  -7.111  23.031  -8.007
   93   HD21  LEU  12          HD21      LEU  12  -9.124  23.808  -8.051
   94   HD22  LEU  12          HD22      LEU  12  -9.967  22.581  -7.105
   95   HD23  LEU  12          HD23      LEU  12 -10.059  24.277  -6.631
   96    H    TYR  13           H        TYR  13 -10.667  20.017  -4.366
   97    HA   TYR  13           HA       TYR  13 -13.058  21.679  -4.621
   98    HB2  TYR  13           HB2      TYR  13 -12.538  21.330  -6.915
   99    HB3  TYR  13           HB3      TYR  13 -12.141  19.637  -6.643
  100    HD1  TYR  13           HD1      TYR  13 -15.113  21.633  -5.589
  101    HD2  TYR  13           HD2      TYR  13 -13.630  18.393  -7.914
  102    HE1  TYR  13           HE1      TYR  13 -17.418  21.005  -6.172
  103    HE2  TYR  13           HE2      TYR  13 -15.931  17.757  -8.505
  104    HH   TYR  13           HH       TYR  13 -18.297  19.281  -8.596
  105    H    ASP  14           H        ASP  14 -14.761  20.870  -3.556
  106    HA   ASP  14           HA       ASP  14 -14.478  18.662  -1.839
  107    HB2  ASP  14           HB2      ASP  14 -16.203  20.757  -1.978
  108    HB3  ASP  14           HB3      ASP  14 -17.236  19.448  -2.546
  109    H    TYR  15           H        TYR  15 -14.147  16.681  -2.660
  110    HA   TYR  15           HA       TYR  15 -15.965  15.734  -4.773
  111    HB2  TYR  15           HB2      TYR  15 -13.229  15.704  -4.765
  112    HB3  TYR  15           HB3      TYR  15 -13.602  14.091  -4.168
  113    HD1  TYR  15           HD1      TYR  15 -14.186  12.390  -5.659
  114    HD2  TYR  15           HD2      TYR  15 -14.351  16.439  -6.955
  115    HE1  TYR  15           HE1      TYR  15 -14.604  11.630  -7.961
  116    HE2  TYR  15           HE2      TYR  15 -14.771  15.691  -9.260
  117    HH   TYR  15           HH       TYR  15 -14.948  12.234 -10.065
  118    H    GLN  16           H        GLN  16 -17.410  14.224  -4.281
  119    HA   GLN  16           HA       GLN  16 -17.264  12.951  -1.652
  120    HB2  GLN  16           HB2      GLN  16 -19.445  13.623  -3.550
  121    HB3  GLN  16           HB3      GLN  16 -19.663  12.176  -2.573
  122    HG2  GLN  16           HG2      GLN  16 -20.614  14.342  -1.666
  123    HG3  GLN  16           HG3      GLN  16 -19.623  13.379  -0.572
  124   HE21  GLN  16          HE21      GLN  16 -18.463  14.652   0.670
  125   HE22  GLN  16          HE22      GLN  16 -17.635  16.085   0.175
  126    H    GLU  17           H        GLU  17 -15.731  12.169  -4.155
  127    HA   GLU  17           HA       GLU  17 -15.190  10.296  -5.358
  128    HB2  GLU  17           HB2      GLU  17 -14.721   8.393  -4.010
  129    HB3  GLU  17           HB3      GLU  17 -14.463   9.804  -2.995
  130    HG2  GLU  17           HG2      GLU  17 -16.439   9.436  -1.788
  131    HG3  GLU  17           HG3      GLU  17 -17.052   8.294  -2.982
  132    H    LYS  18           H        LYS  18 -16.097   7.646  -5.156
  133    HA   LYS  18           HA       LYS  18 -18.878   7.335  -5.242
  134    HB2  LYS  18           HB2      LYS  18 -19.055   7.047  -7.781
  135    HB3  LYS  18           HB3      LYS  18 -19.036   8.690  -7.155
  136    HG2  LYS  18           HG2      LYS  18 -16.775   9.003  -7.812
  137    HG3  LYS  18           HG3      LYS  18 -16.585   7.289  -8.192
  138    HD2  LYS  18           HD2      LYS  18 -18.578   9.052  -9.599
  139    HD3  LYS  18           HD3      LYS  18 -16.914   8.863 -10.159
  140    HE2  LYS  18           HE2      LYS  18 -18.910   6.632  -9.781
  141    HE3  LYS  18           HE3      LYS  18 -18.455   7.351 -11.325
  142    HZ1  LYS  18           HZ1      LYS  18 -17.103   5.360  -9.784
  143    HZ2  LYS  18           HZ2      LYS  18 -16.889   5.796 -11.405
  144    HZ3  LYS  18           HZ3      LYS  18 -16.079   6.646 -10.187
  145    H    SER  19           H        SER  19 -15.798   6.336  -6.655
  146    HA   SER  19           HA       SER  19 -16.695   3.557  -6.737
  147    HB2  SER  19           HB2      SER  19 -14.847   5.117  -8.260
  148    HB3  SER  19           HB3      SER  19 -13.965   3.788  -7.507
  149    HG   SER  19           HG       SER  19 -15.011   3.381  -9.621
  150    HA   PRO  20           HA       PRO  20 -14.595   2.216  -3.128
  151    HB2  PRO  20           HB2      PRO  20 -13.477  -0.132  -3.907
  152    HB3  PRO  20           HB3      PRO  20 -15.216   0.070  -3.663
  153    HG2  PRO  20           HG2      PRO  20 -13.643   0.109  -6.210
  154    HG3  PRO  20           HG3      PRO  20 -15.199  -0.670  -5.868
  155    HD2  PRO  20           HD2      PRO  20 -15.010   1.695  -7.172
  156    HD3  PRO  20           HD3      PRO  20 -16.380   1.294  -6.117
  157    H    ARG  21           H        ARG  21 -12.710   2.447  -6.068
  158    HA   ARG  21           HA       ARG  21 -10.204   2.443  -4.564
  159    HB2  ARG  21           HB2      ARG  21  -9.093   2.335  -6.697
  160    HB3  ARG  21           HB3      ARG  21 -10.385   1.143  -6.679
  161    HG2  ARG  21           HG2      ARG  21 -11.143   3.764  -7.756
  162    HG3  ARG  21           HG3      ARG  21  -9.929   2.890  -8.692
  163    HD2  ARG  21           HD2      ARG  21 -12.681   1.947  -7.910
  164    HD3  ARG  21           HD3      ARG  21 -12.085   2.292  -9.533
  165    HE   ARG  21           HE       ARG  21 -10.427   0.337  -8.637
  166   HH11  ARG  21          HH11      ARG  21 -13.884   0.658  -8.890
  167   HH12  ARG  21          HH12      ARG  21 -14.156  -1.037  -9.123
  168   HH21  ARG  21          HH21      ARG  21 -10.771  -1.897  -8.944
  169   HH22  ARG  21          HH22      ARG  21 -12.384  -2.490  -9.153
  170    H    GLU  22           H        GLU  22 -12.299   4.629  -4.554
  171    HA   GLU  22           HA       GLU  22 -10.594   6.839  -5.494
  172    HB2  GLU  22           HB2      GLU  22 -13.573   6.569  -5.231
  173    HB3  GLU  22           HB3      GLU  22 -12.816   8.155  -5.245
  174    HG2  GLU  22           HG2      GLU  22 -11.828   7.664  -7.426
  175    HG3  GLU  22           HG3      GLU  22 -12.602   6.080  -7.415
  176    H    VAL  23           H        VAL  23 -10.736   8.847  -4.179
  177    HA   VAL  23           HA       VAL  23 -11.011   8.218  -1.311
  178    HB   VAL  23           HB       VAL  23  -8.877   9.766  -2.744
  179   HG11  VAL  23          HG11      VAL  23  -9.995  10.282  -0.055
  180   HG12  VAL  23          HG12      VAL  23  -8.237  10.261  -0.195
  181   HG13  VAL  23          HG13      VAL  23  -9.186  11.375  -1.178
  182   HG21  VAL  23          HG21      VAL  23  -7.987   8.246  -0.506
  183   HG22  VAL  23          HG22      VAL  23  -9.057   7.239  -1.482
  184   HG23  VAL  23          HG23      VAL  23  -7.644   7.996  -2.218
  185    H    THR  24           H        THR  24 -12.304   9.507  -0.163
  186    HA   THR  24           HA       THR  24 -13.637  11.704  -1.497
  187    HB   THR  24           HB       THR  24 -14.064  10.864   1.365
  188    HG1  THR  24           HG1      THR  24 -15.011   9.102   0.679
  189   HG21  THR  24          HG21      THR  24 -15.091  12.967   0.077
  190   HG22  THR  24          HG22      THR  24 -16.245  11.739  -0.446
  191   HG23  THR  24          HG23      THR  24 -16.007  12.051   1.274
  192    H    MET  25           H        MET  25 -13.090  13.775  -1.320
  193    HA   MET  25           HA       MET  25 -11.546  14.635   1.031
  194    HB2  MET  25           HB2      MET  25 -10.063  15.928  -0.293
  195    HB3  MET  25           HB3      MET  25 -10.126  14.339  -1.043
  196    HG2  MET  25           HG2      MET  25 -12.137  16.044  -2.171
  197    HG3  MET  25           HG3      MET  25 -10.559  16.824  -2.246
  198    HE1  MET  25           HE1      MET  25  -9.671  16.512  -4.985
  199    HE2  MET  25           HE2      MET  25  -8.762  16.319  -3.485
  200    HE3  MET  25           HE3      MET  25  -8.596  15.130  -4.776
  201    H    LYS  26           H        LYS  26 -11.831  16.814   1.662
  202    HA   LYS  26           HA       LYS  26 -14.240  18.082   0.529
  203    HB2  LYS  26           HB2      LYS  26 -13.327  17.714   3.350
  204    HB3  LYS  26           HB3      LYS  26 -14.253  19.153   2.946
  205    HG2  LYS  26           HG2      LYS  26 -15.605  16.967   1.794
  206    HG3  LYS  26           HG3      LYS  26 -15.174  16.501   3.441
  207    HD2  LYS  26           HD2      LYS  26 -16.059  19.016   3.863
  208    HD3  LYS  26           HD3      LYS  26 -17.054  18.560   2.478
  209    HE2  LYS  26           HE2      LYS  26 -16.800  17.027   5.065
  210    HE3  LYS  26           HE3      LYS  26 -18.168  18.033   4.588
  211    HZ1  LYS  26           HZ1      LYS  26 -18.678  15.749   4.153
  212    HZ2  LYS  26           HZ2      LYS  26 -18.485  16.540   2.669
  213    HZ3  LYS  26           HZ3      LYS  26 -17.256  15.539   3.260
  214    H    LYS  27           H        LYS  27 -14.044  20.096  -0.220
  215    HA   LYS  27           HA       LYS  27 -11.706  21.357  -0.779
  216    HB2  LYS  27           HB2      LYS  27 -14.025  21.999  -1.554
  217    HB3  LYS  27           HB3      LYS  27 -14.215  22.862  -0.034
  218    HG2  LYS  27           HG2      LYS  27 -12.241  24.237  -0.621
  219    HG3  LYS  27           HG3      LYS  27 -12.189  23.427  -2.188
  220    HD2  LYS  27           HD2      LYS  27 -14.612  24.186  -2.466
  221    HD3  LYS  27           HD3      LYS  27 -14.312  25.253  -1.092
  222    HE2  LYS  27           HE2      LYS  27 -12.447  25.251  -3.430
  223    HE3  LYS  27           HE3      LYS  27 -13.970  26.133  -3.518
  224    HZ1  LYS  27           HZ1      LYS  27 -11.877  27.343  -2.688
  225    HZ2  LYS  27           HZ2      LYS  27 -13.329  27.574  -1.850
  226    HZ3  LYS  27           HZ3      LYS  27 -12.153  26.527  -1.232
  227    H    GLY  28           H        GLY  28 -10.102  21.623   0.668
  228    HA2  GLY  28           HA2      GLY  28  -9.132  23.217   2.200
  229    HA3  GLY  28           HA3      GLY  28 -10.693  23.327   3.000
  230    H    ASP  29           H        ASP  29  -9.345  20.259   2.039
  231    HA   ASP  29           HA       ASP  29  -8.785  19.667   4.872
  232    HB2  ASP  29           HB2      ASP  29  -9.951  17.717   4.783
  233    HB3  ASP  29           HB3      ASP  29 -10.818  18.553   3.498
  234    H    ILE  30           H        ILE  30  -7.355  17.653   5.078
  235    HA   ILE  30           HA       ILE  30  -5.234  17.772   3.034
  236    HB   ILE  30           HB       ILE  30  -5.084  18.193   5.888
  237   HG12  ILE  30          HG12      ILE  30  -4.064  19.474   3.892
  238   HG13  ILE  30          HG13      ILE  30  -3.082  19.284   5.340
  239   HG21  ILE  30          HG21      ILE  30  -4.544  15.856   6.060
  240   HG22  ILE  30          HG22      ILE  30  -3.372  15.990   4.748
  241   HG23  ILE  30          HG23      ILE  30  -3.071  16.801   6.285
  242   HD11  ILE  30          HD11      ILE  30  -2.133  18.830   2.918
  243   HD12  ILE  30          HD12      ILE  30  -1.605  17.900   4.320
  244   HD13  ILE  30          HD13      ILE  30  -2.814  17.232   3.223
  245    H    LEU  31           H        LEU  31  -4.297  15.871   2.377
  246    HA   LEU  31           HA       LEU  31  -5.311  13.383   3.570
  247    HB2  LEU  31           HB2      LEU  31  -4.981  12.750   0.919
  248    HB3  LEU  31           HB3      LEU  31  -6.516  13.041   1.734
  249    HG   LEU  31           HG       LEU  31  -5.038  15.332   0.509
  250   HD11  LEU  31          HD11      LEU  31  -6.700  13.296  -0.959
  251   HD12  LEU  31          HD12      LEU  31  -6.355  14.911  -1.578
  252   HD13  LEU  31          HD13      LEU  31  -5.036  13.777  -1.292
  253   HD21  LEU  31          HD21      LEU  31  -7.607  15.789   0.034
  254   HD22  LEU  31          HD22      LEU  31  -7.796  14.691   1.401
  255   HD23  LEU  31          HD23      LEU  31  -6.860  16.174   1.585
  256    H    THR  32           H        THR  32  -3.985  11.484   3.054
  257    HA   THR  32           HA       THR  32  -1.151  12.223   2.957
  258    HB   THR  32           HB       THR  32  -2.368   9.574   3.758
  259    HG1  THR  32           HG1      THR  32  -1.780  10.388   5.913
  260   HG21  THR  32          HG21      THR  32   0.234  10.267   4.845
  261   HG22  THR  32          HG22      THR  32  -0.284   8.802   4.010
  262   HG23  THR  32          HG23      THR  32   0.248  10.204   3.082
  263    H    LEU  33           H        LEU  33  -0.352  12.207   0.951
  264    HA   LEU  33           HA       LEU  33  -1.367  10.756  -1.218
  265    HB2  LEU  33           HB2      LEU  33   1.100  12.282  -0.644
  266    HB3  LEU  33           HB3      LEU  33   1.171  11.147  -1.989
  267    HG   LEU  33           HG       LEU  33   0.615  13.554  -2.552
  268   HD11  LEU  33          HD11      LEU  33   0.105  11.404  -3.899
  269   HD12  LEU  33          HD12      LEU  33  -1.568  11.713  -3.437
  270   HD13  LEU  33          HD13      LEU  33  -0.672  12.917  -4.364
  271   HD21  LEU  33          HD21      LEU  33  -1.775  14.164  -2.281
  272   HD22  LEU  33          HD22      LEU  33  -1.977  12.760  -1.234
  273   HD23  LEU  33          HD23      LEU  33  -0.896  14.068  -0.755
  274    H    LEU  34           H        LEU  34  -0.647   8.892  -2.273
  275    HA   LEU  34           HA       LEU  34   1.064   7.120  -0.657
  276    HB2  LEU  34           HB2      LEU  34  -1.445   6.502  -2.192
  277    HB3  LEU  34           HB3      LEU  34  -0.305   5.250  -1.702
  278    HG   LEU  34           HG       LEU  34  -1.947   7.027   0.096
  279   HD11  LEU  34          HD11      LEU  34  -3.134   5.103   0.681
  280   HD12  LEU  34          HD12      LEU  34  -2.968   4.994  -1.071
  281   HD13  LEU  34          HD13      LEU  34  -1.925   4.030  -0.024
  282   HD21  LEU  34          HD21      LEU  34  -0.737   5.079   1.645
  283   HD22  LEU  34          HD22      LEU  34   0.555   5.643   0.584
  284   HD23  LEU  34          HD23      LEU  34  -0.318   6.792   1.598
  285    H    ASN  35           H        ASN  35  -0.301   7.346  -3.949
  286    HA   ASN  35           HA       ASN  35   2.126   6.170  -5.038
  287    HB2  ASN  35           HB2      ASN  35  -0.028   5.392  -5.899
  288    HB3  ASN  35           HB3      ASN  35  -0.440   7.032  -6.393
  289   HD21  ASN  35          HD21      ASN  35   2.625   5.305  -6.689
  290   HD22  ASN  35          HD22      ASN  35   2.697   5.368  -8.414
  291    H    SER  36           H        SER  36   0.149   8.927  -6.127
  292    HA   SER  36           HA       SER  36   0.710  11.019  -6.835
  293    HB2  SER  36           HB2      SER  36   2.695  10.394  -4.834
  294    HB3  SER  36           HB3      SER  36   3.410  11.366  -6.120
  295    HG   SER  36           HG       SER  36   2.227  13.019  -5.537
  296    H    THR  37           H        THR  37   1.514   8.402  -8.221
  297    HA   THR  37           HA       THR  37   3.631   9.411  -9.978
  298    HB   THR  37           HB       THR  37   2.390   6.655  -9.859
  299    HG1  THR  37           HG1      THR  37   4.993   7.442  -9.027
  300   HG21  THR  37          HG21      THR  37   3.316   6.411 -11.882
  301   HG22  THR  37          HG22      THR  37   4.177   7.945 -11.758
  302   HG23  THR  37          HG23      THR  37   4.876   6.483 -11.062
  303    H    ASN  38           H        ASN  38   0.256   8.455  -9.968
  304    HA   ASN  38           HA       ASN  38   0.046   8.954 -12.842
  305    HB2  ASN  38           HB2      ASN  38  -1.049   6.942 -12.120
  306    HB3  ASN  38           HB3      ASN  38  -1.897   7.799 -10.836
  307   HD21  ASN  38          HD21      ASN  38  -1.405   8.565 -14.259
  308   HD22  ASN  38          HD22      ASN  38  -3.084   8.670 -14.654
  309    H    LYS  39           H        LYS  39   0.045  11.122 -13.155
  310    HA   LYS  39           HA       LYS  39  -0.910  13.128 -11.562
  311    HB2  LYS  39           HB2      LYS  39   0.326  13.665 -13.539
  312    HB3  LYS  39           HB3      LYS  39  -0.888  12.924 -14.573
  313    HG2  LYS  39           HG2      LYS  39  -2.489  14.668 -13.910
  314    HG3  LYS  39           HG3      LYS  39  -1.230  15.426 -12.932
  315    HD2  LYS  39           HD2      LYS  39  -0.844  16.632 -14.794
  316    HD3  LYS  39           HD3      LYS  39   0.038  15.196 -15.318
  317    HE2  LYS  39           HE2      LYS  39  -2.668  14.738 -15.932
  318    HE3  LYS  39           HE3      LYS  39  -2.319  16.392 -16.434
  319    HZ1  LYS  39           HZ1      LYS  39  -0.180  15.143 -17.382
  320    HZ2  LYS  39           HZ2      LYS  39  -1.302  13.881 -17.486
  321    HZ3  LYS  39           HZ3      LYS  39  -1.600  15.346 -18.278
  322    H    ASP  40           H        ASP  40  -2.748  11.417 -14.086
  323    HA   ASP  40           HA       ASP  40  -5.160  12.712 -13.897
  324    HB2  ASP  40           HB2      ASP  40  -4.767  11.000 -15.567
  325    HB3  ASP  40           HB3      ASP  40  -4.654   9.761 -14.320
  326    H    TRP  41           H        TRP  41  -4.049   9.972 -11.924
  327    HA   TRP  41           HA       TRP  41  -5.933  10.803  -9.839
  328    HB2  TRP  41           HB2      TRP  41  -5.719   8.058 -11.058
  329    HB3  TRP  41           HB3      TRP  41  -6.340   8.294  -9.426
  330    HD1  TRP  41           HD1      TRP  41  -7.291   8.697 -13.074
  331    HE1  TRP  41           HE1      TRP  41  -9.775   9.351 -13.230
  332    HE3  TRP  41           HE3      TRP  41  -8.207   9.596  -8.125
  333    HZ2  TRP  41           HZ2      TRP  41 -11.849  10.144 -11.487
  334    HZ3  TRP  41           HZ3      TRP  41 -10.468  10.299  -7.453
  335    HH2  TRP  41           HH2      TRP  41 -12.249  10.567  -9.101
  336    H    TRP  42           H        TRP  42  -4.792  11.185  -8.069
  337    HA   TRP  42           HA       TRP  42  -2.254   9.780  -7.668
  338    HB2  TRP  42           HB2      TRP  42  -3.409  12.333  -6.577
  339    HB3  TRP  42           HB3      TRP  42  -2.048  11.547  -5.781
  340    HD1  TRP  42           HD1      TRP  42  -0.827  10.648  -8.788
  341    HE1  TRP  42           HE1      TRP  42   0.512  12.452 -10.043
  342    HE3  TRP  42           HE3      TRP  42  -2.550  14.789  -6.335
  343    HZ2  TRP  42           HZ2      TRP  42   0.799  15.260  -9.999
  344    HZ3  TRP  42           HZ3      TRP  42  -1.692  16.997  -7.002
  345    HH2  TRP  42           HH2      TRP  42  -0.052  17.225  -8.796
  346    H    LYS  43           H        LYS  43  -2.541   7.901  -6.635
  347    HA   LYS  43           HA       LYS  43  -4.628   7.261  -4.891
  348    HB2  LYS  43           HB2      LYS  43  -3.286   5.545  -5.964
  349    HB3  LYS  43           HB3      LYS  43  -1.852   6.080  -5.096
  350    HG2  LYS  43           HG2      LYS  43  -3.544   5.569  -3.040
  351    HG3  LYS  43           HG3      LYS  43  -4.059   4.362  -4.221
  352    HD2  LYS  43           HD2      LYS  43  -1.143   4.683  -3.802
  353    HD3  LYS  43           HD3      LYS  43  -2.065   3.939  -2.493
  354    HE2  LYS  43           HE2      LYS  43  -2.061   2.017  -3.603
  355    HE3  LYS  43           HE3      LYS  43  -2.953   2.783  -4.916
  356    HZ1  LYS  43           HZ1      LYS  43  -0.063   3.210  -4.802
  357    HZ2  LYS  43           HZ2      LYS  43  -0.609   1.687  -5.296
  358    HZ3  LYS  43           HZ3      LYS  43  -1.082   3.071  -6.146
  359    H    VAL  44           H        VAL  44  -4.961   7.524  -2.758
  360    HA   VAL  44           HA       VAL  44  -2.755   8.413  -1.054
  361    HB   VAL  44           HB       VAL  44  -3.965  10.261  -0.127
  362   HG11  VAL  44          HG11      VAL  44  -3.626  11.752  -1.820
  363   HG12  VAL  44          HG12      VAL  44  -2.808  10.349  -2.506
  364   HG13  VAL  44          HG13      VAL  44  -4.447  10.751  -3.017
  365   HG21  VAL  44          HG21      VAL  44  -6.218   9.472  -1.973
  366   HG22  VAL  44          HG22      VAL  44  -6.212   9.364  -0.212
  367   HG23  VAL  44          HG23      VAL  44  -6.172  10.942  -0.999
  368    H    GLU  45           H        GLU  45  -3.758   8.723   1.298
  369    HA   GLU  45           HA       GLU  45  -5.565   6.455   1.807
  370    HB2  GLU  45           HB2      GLU  45  -3.012   6.171   2.333
  371    HB3  GLU  45           HB3      GLU  45  -3.389   7.152   3.742
  372    HG2  GLU  45           HG2      GLU  45  -4.292   5.432   4.805
  373    HG3  GLU  45           HG3      GLU  45  -5.299   5.016   3.419
  374    H    VAL  46           H        VAL  46  -7.341   7.054   2.842
  375    HA   VAL  46           HA       VAL  46  -7.193   9.189   4.843
  376    HB   VAL  46           HB       VAL  46  -9.466   9.993   3.945
  377   HG11  VAL  46          HG11      VAL  46  -7.244  10.636   2.056
  378   HG12  VAL  46          HG12      VAL  46  -8.427  11.708   2.806
  379   HG13  VAL  46          HG13      VAL  46  -7.094  11.060   3.761
  380   HG21  VAL  46          HG21      VAL  46  -8.471   8.984   1.310
  381   HG22  VAL  46          HG22      VAL  46  -9.490   7.963   2.326
  382   HG23  VAL  46          HG23      VAL  46 -10.087   9.524   1.763
  383    H    ASN  47           H        ASN  47  -8.295   8.731   6.647
  384    HA   ASN  47           HA       ASN  47  -9.357   7.368   8.161
  385    HB2  ASN  47           HB2      ASN  47 -11.836   6.990   7.353
  386    HB3  ASN  47           HB3      ASN  47 -11.262   8.608   7.747
  387   HD21  ASN  47          HD21      ASN  47 -12.133   6.414   5.194
  388   HD22  ASN  47          HD22      ASN  47 -12.267   7.602   3.946
  389    H    ASP  48           H        ASP  48  -7.777   5.635   7.359
  390    HA   ASP  48           HA       ASP  48  -7.323   3.514   6.598
  391    HB2  ASP  48           HB2      ASP  48  -9.041   3.476   8.717
  392    HB3  ASP  48           HB3      ASP  48  -9.920   2.498   7.546
  393    H    ARG  49           H        ARG  49  -8.522   5.107   4.582
  394    HA   ARG  49           HA       ARG  49  -9.661   2.985   2.941
  395    HB2  ARG  49           HB2      ARG  49 -11.186   5.218   3.985
  396    HB3  ARG  49           HB3      ARG  49 -11.169   5.227   2.227
  397    HG2  ARG  49           HG2      ARG  49 -11.876   2.783   3.822
  398    HG3  ARG  49           HG3      ARG  49 -13.070   3.989   3.336
  399    HD2  ARG  49           HD2      ARG  49 -11.508   3.331   1.059
  400    HD3  ARG  49           HD3      ARG  49 -12.006   1.824   1.829
  401    HE   ARG  49           HE       ARG  49 -14.135   3.732   1.505
  402   HH11  ARG  49          HH11      ARG  49 -12.356   1.132   0.023
  403   HH12  ARG  49          HH12      ARG  49 -13.635   0.702  -1.063
  404   HH21  ARG  49          HH21      ARG  49 -15.827   3.175   0.079
  405   HH22  ARG  49          HH22      ARG  49 -15.608   1.865  -1.031
  406    H    GLN  50           H        GLN  50  -7.648   3.070   1.862
  407    HA   GLN  50           HA       GLN  50  -6.897   5.548   0.540
  408    HB2  GLN  50           HB2      GLN  50  -4.911   4.318  -0.192
  409    HB3  GLN  50           HB3      GLN  50  -5.139   4.177   1.546
  410    HG2  GLN  50           HG2      GLN  50  -4.673   2.015   1.077
  411    HG3  GLN  50           HG3      GLN  50  -6.418   1.975   0.826
  412   HE21  GLN  50          HE21      GLN  50  -3.522   2.862  -1.032
  413   HE22  GLN  50          HE22      GLN  50  -3.975   2.012  -2.466
  414    H    GLY  51           H        GLY  51  -6.953   5.912  -1.647
  415    HA2  GLY  51           HA2      GLY  51  -7.766   3.801  -3.464
  416    HA3  GLY  51           HA3      GLY  51  -8.958   5.069  -3.222
  417    H    PHE  52           H        PHE  52  -8.896   6.693  -4.616
  418    HA   PHE  52           HA       PHE  52  -6.331   7.570  -5.702
  419    HB2  PHE  52           HB2      PHE  52  -8.613   6.461  -7.297
  420    HB3  PHE  52           HB3      PHE  52  -7.594   7.716  -7.994
  421    HD1  PHE  52           HD1      PHE  52  -5.014   7.263  -7.834
  422    HD2  PHE  52           HD2      PHE  52  -8.021   4.260  -7.591
  423    HE1  PHE  52           HE1      PHE  52  -3.363   5.560  -8.490
  424    HE2  PHE  52           HE2      PHE  52  -6.375   2.553  -8.245
  425    HZ   PHE  52           HZ       PHE  52  -4.042   3.202  -8.695
  426    H    VAL  53           H        VAL  53  -6.189   9.710  -5.626
  427    HA   VAL  53           HA       VAL  53  -8.679  11.270  -5.425
  428    HB   VAL  53           HB       VAL  53  -6.484  11.243  -3.723
  429   HG11  VAL  53          HG11      VAL  53  -6.457  13.818  -5.293
  430   HG12  VAL  53          HG12      VAL  53  -5.454  13.415  -3.899
  431   HG13  VAL  53          HG13      VAL  53  -5.239  12.549  -5.421
  432   HG21  VAL  53          HG21      VAL  53  -9.043  12.348  -3.859
  433   HG22  VAL  53          HG22      VAL  53  -7.977  12.299  -2.455
  434   HG23  VAL  53          HG23      VAL  53  -7.970  13.706  -3.519
  435    HA   PRO  54           HA       PRO  54  -7.735  13.156  -9.298
  436    HB2  PRO  54           HB2      PRO  54  -9.287  15.369  -9.049
  437    HB3  PRO  54           HB3      PRO  54  -9.950  13.761  -9.363
  438    HG2  PRO  54           HG2      PRO  54  -9.754  15.257  -6.778
  439    HG3  PRO  54           HG3      PRO  54 -11.104  14.303  -7.418
  440    HD2  PRO  54           HD2      PRO  54  -9.393  13.338  -5.554
  441    HD3  PRO  54           HD3      PRO  54 -10.159  12.301  -6.775
  442    H    ALA  55           H        ALA  55  -5.822  14.077  -9.675
  443    HA   ALA  55           HA       ALA  55  -4.455  15.772  -7.902
  444    HB1  ALA  55           HB1      ALA  55  -2.839  16.061  -9.645
  445    HB2  ALA  55           HB2      ALA  55  -3.405  14.392  -9.690
  446    HB3  ALA  55           HB3      ALA  55  -4.000  15.557 -10.873
  447    H    ALA  56           H        ALA  56  -6.063  16.557 -10.989
  448    HA   ALA  56           HA       ALA  56  -5.682  19.270 -11.052
  449    HB1  ALA  56           HB1      ALA  56  -7.720  19.416 -12.391
  450    HB2  ALA  56           HB2      ALA  56  -6.747  18.021 -12.857
  451    HB3  ALA  56           HB3      ALA  56  -8.187  17.799 -11.864
  452    H    TYR  57           H        TYR  57  -7.968  17.456  -9.102
  453    HA   TYR  57           HA       TYR  57  -9.127  19.923  -8.049
  454    HB2  TYR  57           HB2      TYR  57  -9.862  17.014  -7.725
  455    HB3  TYR  57           HB3      TYR  57 -10.632  18.300  -6.802
  456    HD1  TYR  57           HD1      TYR  57 -11.184  20.406  -8.594
  457    HD2  TYR  57           HD2      TYR  57 -11.247  16.226  -9.385
  458    HE1  TYR  57           HE1      TYR  57 -12.769  20.785 -10.435
  459    HE2  TYR  57           HE2      TYR  57 -12.832  16.593 -11.230
  460    HH   TYR  57           HH       TYR  57 -13.489  18.440 -12.753
  461    H    VAL  58           H        VAL  58  -6.431  19.503  -7.422
  462    HA   VAL  58           HA       VAL  58  -6.612  19.411  -4.516
  463    HB   VAL  58           HB       VAL  58  -5.798  17.136  -5.739
  464   HG11  VAL  58          HG11      VAL  58  -3.832  18.488  -6.652
  465   HG12  VAL  58          HG12      VAL  58  -3.211  18.468  -5.001
  466   HG13  VAL  58          HG13      VAL  58  -3.465  16.952  -5.866
  467   HG21  VAL  58          HG21      VAL  58  -4.918  16.470  -3.614
  468   HG22  VAL  58          HG22      VAL  58  -4.624  18.146  -3.153
  469   HG23  VAL  58          HG23      VAL  58  -6.277  17.556  -3.325
  470    H    LYS  59           H        LYS  59  -4.438  20.045  -3.531
  471    HA   LYS  59           HA       LYS  59  -2.693  21.616  -5.208
  472    HB2  LYS  59           HB2      LYS  59  -4.918  22.855  -3.892
  473    HB3  LYS  59           HB3      LYS  59  -3.427  23.430  -3.159
  474    HG2  LYS  59           HG2      LYS  59  -2.938  23.518  -5.891
  475    HG3  LYS  59           HG3      LYS  59  -4.600  24.085  -5.712
  476    HD2  LYS  59           HD2      LYS  59  -2.308  25.137  -4.064
  477    HD3  LYS  59           HD3      LYS  59  -2.816  25.865  -5.589
  478    HE2  LYS  59           HE2      LYS  59  -4.619  25.455  -3.207
  479    HE3  LYS  59           HE3      LYS  59  -3.778  26.961  -3.572
  480    HZ1  LYS  59           HZ1      LYS  59  -6.051  27.008  -4.376
  481    HZ2  LYS  59           HZ2      LYS  59  -4.967  27.070  -5.675
  482    HZ3  LYS  59           HZ3      LYS  59  -5.778  25.629  -5.318
  483    H    LYS  60           H        LYS  60  -0.755  21.066  -4.483
  484    HA   LYS  60           HA       LYS  60  -0.263  19.944  -1.943
  485    HB2  LYS  60           HB2      LYS  60   1.099  19.864  -4.206
  486    HB3  LYS  60           HB3      LYS  60   1.937  21.238  -3.496
  487    HG2  LYS  60           HG2      LYS  60   1.649  18.533  -2.203
  488    HG3  LYS  60           HG3      LYS  60   3.074  19.101  -3.075
  489    HD2  LYS  60           HD2      LYS  60   2.669  21.133  -1.306
  490    HD3  LYS  60           HD3      LYS  60   2.136  19.736  -0.367
  491    HE2  LYS  60           HE2      LYS  60   4.218  18.854  -0.252
  492    HE3  LYS  60           HE3      LYS  60   4.662  19.417  -1.862
  493    HZ1  LYS  60           HZ1      LYS  60   5.046  21.599  -1.014
  494    HZ2  LYS  60           HZ2      LYS  60   4.446  21.184   0.513
  495    HZ3  LYS  60           HZ3      LYS  60   5.897  20.510  -0.037
  496    H    LEU  61           H        LEU  61  -0.993  21.321  -0.329
  497    HA   LEU  61           HA       LEU  61   0.545  23.814  -0.005
  498    HB2  LEU  61           HB2      LEU  61  -2.179  23.231   1.138
  499    HB3  LEU  61           HB3      LEU  61  -1.312  24.765   1.175
  500    HG   LEU  61           HG       LEU  61  -2.172  23.504  -1.412
  501   HD11  LEU  61          HD11      LEU  61  -3.953  25.556  -0.843
  502   HD12  LEU  61          HD12      LEU  61  -4.299  23.827  -0.861
  503   HD13  LEU  61          HD13      LEU  61  -3.858  24.622   0.650
  504   HD21  LEU  61          HD21      LEU  61  -0.697  25.208  -1.893
  505   HD22  LEU  61          HD22      LEU  61  -2.242  26.060  -1.921
  506   HD23  LEU  61          HD23      LEU  61  -1.196  26.177  -0.506
  507    H    ASP  62           H        ASP  62   1.857  21.711   0.867
  508    HA   ASP  62           HA       ASP  62   1.828  22.055   3.745
  509    HB2  ASP  62           HB2      ASP  62   0.455  19.896   2.721
  510    HB3  ASP  62           HB3      ASP  62   2.041  19.213   3.067
  Start of MODEL    7
    1    H1   MET   1           H        MET   1   1.776  -0.504  -3.776
    2    HA   MET   1           HA       MET   1  -0.739   0.825  -4.531
    3    HB2  MET   1           HB2      MET   1   0.318   0.356  -1.739
    4    HB3  MET   1           HB3      MET   1  -1.036   1.411  -2.121
    5    HG2  MET   1           HG2      MET   1  -2.396  -0.375  -2.770
    6    HG3  MET   1           HG3      MET   1  -1.028  -1.476  -2.914
    7    HE1  MET   1           HE1      MET   1  -3.891  -1.742  -1.462
    8    HE2  MET   1           HE2      MET   1  -3.827  -1.771   0.301
    9    HE3  MET   1           HE3      MET   1  -3.881  -0.230  -0.555
   10    H    ASP   2           H        ASP   2   1.727   1.613  -2.108
   11    HA   ASP   2           HA       ASP   2   2.124   4.186  -3.472
   12    HB2  ASP   2           HB2      ASP   2   3.277   4.620  -1.098
   13    HB3  ASP   2           HB3      ASP   2   1.547   4.829  -1.357
   14    H    GLU   3           H        GLU   3   4.203   2.446  -1.187
   15    HA   GLU   3           HA       GLU   3   6.465   2.110  -1.212
   16    HB2  GLU   3           HB2      GLU   3   5.256   0.512  -3.077
   17    HB3  GLU   3           HB3      GLU   3   6.505   1.295  -4.035
   18    HG2  GLU   3           HG2      GLU   3   7.826   0.550  -1.730
   19    HG3  GLU   3           HG3      GLU   3   6.726  -0.793  -2.040
   20    H    THR   4           H        THR   4   5.701   4.774  -1.878
   21    HA   THR   4           HA       THR   4   7.715   5.528  -3.885
   22    HB   THR   4           HB       THR   4   5.381   7.114  -2.799
   23    HG1  THR   4           HG1      THR   4   5.842   5.591  -5.099
   24   HG21  THR   4          HG21      THR   4   7.693   7.867  -4.536
   25   HG22  THR   4          HG22      THR   4   6.119   8.608  -4.823
   26   HG23  THR   4          HG23      THR   4   6.906   8.787  -3.254
   27    H    GLY   5           H        GLY   5   6.341   7.314  -1.136
   28    HA2  GLY   5           HA2      GLY   5   8.582   7.226   0.537
   29    HA3  GLY   5           HA3      GLY   5   8.765   8.616  -0.522
   30    H    LYS   6           H        LYS   6   7.332  10.360  -0.340
   31    HA   LYS   6           HA       LYS   6   5.224  10.319   1.624
   32    HB2  LYS   6           HB2      LYS   6   7.888  11.406   2.248
   33    HB3  LYS   6           HB3      LYS   6   6.553  12.495   2.599
   34    HG2  LYS   6           HG2      LYS   6   6.364  11.435   4.539
   35    HG3  LYS   6           HG3      LYS   6   5.703  10.078   3.625
   36    HD2  LYS   6           HD2      LYS   6   7.399   8.892   4.475
   37    HD3  LYS   6           HD3      LYS   6   8.415   9.755   3.318
   38    HE2  LYS   6           HE2      LYS   6   9.579  10.442   5.097
   39    HE3  LYS   6           HE3      LYS   6   8.226  11.530   5.405
   40    HZ1  LYS   6           HZ1      LYS   6   7.382   9.247   6.542
   41    HZ2  LYS   6           HZ2      LYS   6   9.046   9.160   6.834
   42    HZ3  LYS   6           HZ3      LYS   6   8.162  10.498   7.373
   43    H    GLU   7           H        GLU   7   3.868  12.148   1.518
   44    HA   GLU   7           HA       GLU   7   4.371  14.487   0.088
   45    HB2  GLU   7           HB2      GLU   7   3.747  12.196  -1.574
   46    HB3  GLU   7           HB3      GLU   7   2.549  13.467  -1.767
   47    HG2  GLU   7           HG2      GLU   7   5.017  14.766  -1.817
   48    HG3  GLU   7           HG3      GLU   7   5.230  13.308  -2.784
   49    H    LEU   8           H        LEU   8   2.662  15.921   0.200
   50    HA   LEU   8           HA       LEU   8   0.108  14.898   1.223
   51    HB2  LEU   8           HB2      LEU   8   2.036  16.403   2.695
   52    HB3  LEU   8           HB3      LEU   8   0.598  17.393   2.460
   53    HG   LEU   8           HG       LEU   8  -0.773  15.801   3.594
   54   HD11  LEU   8          HD11      LEU   8   0.051  13.724   2.831
   55   HD12  LEU   8          HD12      LEU   8   1.655  14.030   3.496
   56   HD13  LEU   8          HD13      LEU   8   0.294  13.735   4.578
   57   HD21  LEU   8          HD21      LEU   8  -0.118  16.525   5.592
   58   HD22  LEU   8          HD22      LEU   8   1.364  15.571   5.527
   59   HD23  LEU   8          HD23      LEU   8   1.318  17.178   4.803
   60    H    VAL   9           H        VAL   9  -1.702  16.235   0.816
   61    HA   VAL   9           HA       VAL   9  -1.317  18.608  -0.827
   62    HB   VAL   9           HB       VAL   9  -2.793  17.853  -2.605
   63   HG11  VAL   9          HG11      VAL   9  -0.422  17.508  -2.929
   64   HG12  VAL   9          HG12      VAL   9  -0.503  15.959  -2.091
   65   HG13  VAL   9          HG13      VAL   9  -1.317  16.166  -3.642
   66   HG21  VAL   9          HG21      VAL   9  -4.223  16.324  -1.468
   67   HG22  VAL   9          HG22      VAL   9  -3.387  15.417  -2.729
   68   HG23  VAL   9          HG23      VAL   9  -2.869  15.275  -1.049
   69    H    LEU  10           H        LEU  10  -3.488  19.631  -1.349
   70    HA   LEU  10           HA       LEU  10  -5.324  19.233   0.923
   71    HB2  LEU  10           HB2      LEU  10  -4.266  21.691  -0.383
   72    HB3  LEU  10           HB3      LEU  10  -5.894  21.728   0.292
   73    HG   LEU  10           HG       LEU  10  -4.101  22.619   1.792
   74   HD11  LEU  10          HD11      LEU  10  -5.359  20.201   3.030
   75   HD12  LEU  10          HD12      LEU  10  -5.100  21.802   3.722
   76   HD13  LEU  10          HD13      LEU  10  -6.342  21.563   2.493
   77   HD21  LEU  10          HD21      LEU  10  -2.599  21.099   2.886
   78   HD22  LEU  10          HD22      LEU  10  -3.294  19.724   2.028
   79   HD23  LEU  10          HD23      LEU  10  -2.382  20.947   1.143
   80    H    ALA  11           H        ALA  11  -7.518  19.247   0.545
   81    HA   ALA  11           HA       ALA  11  -8.379  18.434  -2.037
   82    HB1  ALA  11           HB1      ALA  11  -9.636  17.477  -0.363
   83    HB2  ALA  11           HB2      ALA  11  -9.738  18.974   0.565
   84    HB3  ALA  11           HB3      ALA  11 -10.703  18.775  -0.898
   85    H    LEU  12           H        LEU  12  -8.431  19.829  -3.685
   86    HA   LEU  12           HA       LEU  12  -8.978  22.627  -3.309
   87    HB2  LEU  12           HB2      LEU  12  -7.408  21.590  -5.023
   88    HB3  LEU  12           HB3      LEU  12  -8.857  21.166  -5.932
   89    HG   LEU  12           HG       LEU  12  -9.421  23.551  -6.120
   90   HD11  LEU  12          HD11      LEU  12  -7.027  24.833  -5.522
   91   HD12  LEU  12          HD12      LEU  12  -8.551  24.962  -4.643
   92   HD13  LEU  12          HD13      LEU  12  -7.338  23.786  -4.137
   93   HD21  LEU  12          HD21      LEU  12  -8.122  22.460  -7.879
   94   HD22  LEU  12          HD22      LEU  12  -7.657  24.151  -7.695
   95   HD23  LEU  12          HD23      LEU  12  -6.628  22.878  -7.041
   96    H    TYR  13           H        TYR  13 -10.773  19.797  -4.215
   97    HA   TYR  13           HA       TYR  13 -13.204  21.425  -4.347
   98    HB2  TYR  13           HB2      TYR  13 -12.720  21.114  -6.659
   99    HB3  TYR  13           HB3      TYR  13 -12.311  19.419  -6.417
  100    HD1  TYR  13           HD1      TYR  13 -13.830  18.068  -7.503
  101    HD2  TYR  13           HD2      TYR  13 -15.259  21.509  -5.448
  102    HE1  TYR  13           HE1      TYR  13 -16.141  17.430  -8.053
  103    HE2  TYR  13           HE2      TYR  13 -17.574  20.880  -5.991
  104    HH   TYR  13           HH       TYR  13 -18.403  17.818  -7.233
  105    H    ASP  14           H        ASP  14 -14.889  20.560  -3.287
  106    HA   ASP  14           HA       ASP  14 -14.532  18.353  -1.584
  107    HB2  ASP  14           HB2      ASP  14 -16.302  20.395  -1.670
  108    HB3  ASP  14           HB3      ASP  14 -17.311  19.091  -2.290
  109    H    TYR  15           H        TYR  15 -13.997  16.478  -2.625
  110    HA   TYR  15           HA       TYR  15 -15.796  15.477  -4.708
  111    HB2  TYR  15           HB2      TYR  15 -13.051  15.427  -4.502
  112    HB3  TYR  15           HB3      TYR  15 -13.499  13.802  -3.996
  113    HD1  TYR  15           HD1      TYR  15 -14.833  12.360  -5.550
  114    HD2  TYR  15           HD2      TYR  15 -13.167  16.077  -6.778
  115    HE1  TYR  15           HE1      TYR  15 -15.098  11.695  -7.903
  116    HE2  TYR  15           HE2      TYR  15 -13.429  15.423  -9.134
  117    HH   TYR  15           HH       TYR  15 -14.720  12.237 -10.024
  118    H    GLN  16           H        GLN  16 -17.225  13.908  -4.340
  119    HA   GLN  16           HA       GLN  16 -17.277  12.679  -1.687
  120    HB2  GLN  16           HB2      GLN  16 -19.309  13.206  -3.802
  121    HB3  GLN  16           HB3      GLN  16 -19.574  11.842  -2.725
  122    HG2  GLN  16           HG2      GLN  16 -20.631  14.051  -2.078
  123    HG3  GLN  16           HG3      GLN  16 -19.706  13.209  -0.835
  124   HE21  GLN  16          HE21      GLN  16 -20.119  16.084  -2.549
  125   HE22  GLN  16          HE22      GLN  16 -18.722  16.921  -1.973
  126    H    GLU  17           H        GLU  17 -16.625  11.940  -4.981
  127    HA   GLU  17           HA       GLU  17 -15.921  10.044  -6.023
  128    HB2  GLU  17           HB2      GLU  17 -15.719   8.827  -3.267
  129    HB3  GLU  17           HB3      GLU  17 -14.882   8.306  -4.722
  130    HG2  GLU  17           HG2      GLU  17 -14.471  10.944  -3.334
  131    HG3  GLU  17           HG3      GLU  17 -13.425   9.534  -3.180
  132    H    LYS  18           H        LYS  18 -16.341   7.342  -5.429
  133    HA   LYS  18           HA       LYS  18 -18.981   6.714  -4.689
  134    HB2  LYS  18           HB2      LYS  18 -18.635   7.697  -7.397
  135    HB3  LYS  18           HB3      LYS  18 -19.260   6.053  -7.389
  136    HG2  LYS  18           HG2      LYS  18 -21.281   6.756  -6.821
  137    HG3  LYS  18           HG3      LYS  18 -20.641   7.659  -5.446
  138    HD2  LYS  18           HD2      LYS  18 -21.512   9.385  -6.663
  139    HD3  LYS  18           HD3      LYS  18 -19.891   9.330  -7.358
  140    HE2  LYS  18           HE2      LYS  18 -21.755   7.519  -8.671
  141    HE3  LYS  18           HE3      LYS  18 -22.266   9.204  -8.752
  142    HZ1  LYS  18           HZ1      LYS  18 -20.093   7.887 -10.090
  143    HZ2  LYS  18           HZ2      LYS  18 -20.881   9.334 -10.475
  144    HZ3  LYS  18           HZ3      LYS  18 -19.626   9.330  -9.340
  145    H    SER  19           H        SER  19 -16.171   5.918  -6.641
  146    HA   SER  19           HA       SER  19 -16.716   3.067  -6.457
  147    HB2  SER  19           HB2      SER  19 -15.133   4.768  -8.168
  148    HB3  SER  19           HB3      SER  19 -14.137   3.467  -7.517
  149    HG   SER  19           HG       SER  19 -15.650   3.234  -9.539
  150    HA   PRO  20           HA       PRO  20 -14.186   2.182  -2.985
  151    HB2  PRO  20           HB2      PRO  20 -13.024  -0.163  -3.707
  152    HB3  PRO  20           HB3      PRO  20 -14.733  -0.030  -3.278
  153    HG2  PRO  20           HG2      PRO  20 -13.462  -0.123  -5.986
  154    HG3  PRO  20           HG3      PRO  20 -14.920  -0.949  -5.406
  155    HD2  PRO  20           HD2      PRO  20 -15.021   1.306  -6.901
  156    HD3  PRO  20           HD3      PRO  20 -16.237   0.924  -5.666
  157    H    ARG  21           H        ARG  21 -12.689   2.365  -6.126
  158    HA   ARG  21           HA       ARG  21 -10.006   2.468  -4.997
  159    HB2  ARG  21           HB2      ARG  21  -9.221   2.498  -7.276
  160    HB3  ARG  21           HB3      ARG  21 -10.445   1.246  -7.118
  161    HG2  ARG  21           HG2      ARG  21 -11.482   3.857  -7.948
  162    HG3  ARG  21           HG3      ARG  21 -10.368   3.104  -9.091
  163    HD2  ARG  21           HD2      ARG  21 -12.920   1.953  -7.980
  164    HD3  ARG  21           HD3      ARG  21 -12.585   2.408  -9.650
  165    HE   ARG  21           HE       ARG  21 -10.708   0.528  -9.124
  166   HH11  ARG  21          HH11      ARG  21 -14.172   0.625  -8.792
  167   HH12  ARG  21          HH12      ARG  21 -14.376  -1.075  -9.057
  168   HH21  ARG  21          HH21      ARG  21 -10.963  -1.711  -9.475
  169   HH22  ARG  21          HH22      ARG  21 -12.550  -2.403  -9.445
  170    H    GLU  22           H        GLU  22 -12.238   4.569  -4.709
  171    HA   GLU  22           HA       GLU  22 -10.690   6.877  -5.684
  172    HB2  GLU  22           HB2      GLU  22 -13.630   6.465  -5.246
  173    HB3  GLU  22           HB3      GLU  22 -12.949   8.085  -5.222
  174    HG2  GLU  22           HG2      GLU  22 -12.049   7.709  -7.484
  175    HG3  GLU  22           HG3      GLU  22 -12.826   6.127  -7.503
  176    H    VAL  23           H        VAL  23 -10.752   8.813  -4.294
  177    HA   VAL  23           HA       VAL  23 -10.888   8.105  -1.435
  178    HB   VAL  23           HB       VAL  23  -8.795   9.670  -2.915
  179   HG11  VAL  23          HG11      VAL  23  -8.061   9.986  -0.330
  180   HG12  VAL  23          HG12      VAL  23  -8.916  11.206  -1.274
  181   HG13  VAL  23          HG13      VAL  23  -9.813  10.136  -0.196
  182   HG21  VAL  23          HG21      VAL  23  -7.477   7.938  -2.438
  183   HG22  VAL  23          HG22      VAL  23  -7.946   7.965  -0.738
  184   HG23  VAL  23          HG23      VAL  23  -8.925   7.082  -1.909
  185    H    THR  24           H        THR  24 -12.548   9.147  -0.560
  186    HA   THR  24           HA       THR  24 -13.662  11.529  -1.671
  187    HB   THR  24           HB       THR  24 -14.203  10.250   1.016
  188    HG1  THR  24           HG1      THR  24 -15.257   8.828  -0.128
  189   HG21  THR  24          HG21      THR  24 -14.998  12.745   0.041
  190   HG22  THR  24          HG22      THR  24 -16.395  11.693  -0.189
  191   HG23  THR  24          HG23      THR  24 -15.681  11.874   1.414
  192    H    MET  25           H        MET  25 -13.084  13.567  -1.320
  193    HA   MET  25           HA       MET  25 -11.663  14.228   1.168
  194    HB2  MET  25           HB2      MET  25 -10.085  15.590   0.017
  195    HB3  MET  25           HB3      MET  25 -10.109  14.037  -0.808
  196    HG2  MET  25           HG2      MET  25 -12.014  15.879  -1.957
  197    HG3  MET  25           HG3      MET  25 -10.381  16.541  -1.955
  198    HE1  MET  25           HE1      MET  25  -9.832  16.396  -4.755
  199    HE2  MET  25           HE2      MET  25  -8.722  16.138  -3.409
  200    HE3  MET  25           HE3      MET  25  -8.706  15.039  -4.789
  201    H    LYS  26           H        LYS  26 -11.931  16.375   1.919
  202    HA   LYS  26           HA       LYS  26 -14.299  17.721   0.796
  203    HB2  LYS  26           HB2      LYS  26 -13.286  17.465   3.617
  204    HB3  LYS  26           HB3      LYS  26 -14.403  18.746   3.163
  205    HG2  LYS  26           HG2      LYS  26 -15.471  16.346   2.149
  206    HG3  LYS  26           HG3      LYS  26 -14.950  16.020   3.804
  207    HD2  LYS  26           HD2      LYS  26 -16.429  17.522   4.709
  208    HD3  LYS  26           HD3      LYS  26 -16.465  18.525   3.258
  209    HE2  LYS  26           HE2      LYS  26 -18.162  17.363   2.354
  210    HE3  LYS  26           HE3      LYS  26 -17.506  15.813   2.878
  211    HZ1  LYS  26           HZ1      LYS  26 -19.713  16.806   3.887
  212    HZ2  LYS  26           HZ2      LYS  26 -18.648  15.879   4.819
  213    HZ3  LYS  26           HZ3      LYS  26 -18.620  17.567   4.931
  214    H    LYS  27           H        LYS  27 -14.078  19.723   0.032
  215    HA   LYS  27           HA       LYS  27 -11.739  20.967  -0.542
  216    HB2  LYS  27           HB2      LYS  27 -14.075  21.631  -1.271
  217    HB3  LYS  27           HB3      LYS  27 -14.211  22.510   0.246
  218    HG2  LYS  27           HG2      LYS  27 -12.267  23.872  -0.390
  219    HG3  LYS  27           HG3      LYS  27 -12.191  23.014  -1.930
  220    HD2  LYS  27           HD2      LYS  27 -14.680  24.435  -1.033
  221    HD3  LYS  27           HD3      LYS  27 -13.386  25.279  -1.886
  222    HE2  LYS  27           HE2      LYS  27 -14.218  22.756  -3.127
  223    HE3  LYS  27           HE3      LYS  27 -15.476  23.991  -3.077
  224    HZ1  LYS  27           HZ1      LYS  27 -12.984  23.941  -4.575
  225    HZ2  LYS  27           HZ2      LYS  27 -14.477  24.631  -4.976
  226    HZ3  LYS  27           HZ3      LYS  27 -13.426  25.439  -3.924
  227    H    GLY  28           H        GLY  28 -10.111  21.240   0.871
  228    HA2  GLY  28           HA2      GLY  28  -9.128  22.836   2.400
  229    HA3  GLY  28           HA3      GLY  28 -10.669  22.902   3.242
  230    H    ASP  29           H        ASP  29  -9.220  19.902   2.179
  231    HA   ASP  29           HA       ASP  29  -8.560  19.271   4.980
  232    HB2  ASP  29           HB2      ASP  29  -9.779  17.365   4.964
  233    HB3  ASP  29           HB3      ASP  29 -10.661  18.159   3.662
  234    H    ILE  30           H        ILE  30  -6.999  17.474   5.207
  235    HA   ILE  30           HA       ILE  30  -5.027  17.555   3.021
  236    HB   ILE  30           HB       ILE  30  -4.765  17.862   5.886
  237   HG12  ILE  30          HG12      ILE  30  -3.843  19.231   3.889
  238   HG13  ILE  30          HG13      ILE  30  -2.815  19.015   5.302
  239   HG21  ILE  30          HG21      ILE  30  -4.192  15.529   5.935
  240   HG22  ILE  30          HG22      ILE  30  -3.088  15.729   4.574
  241   HG23  ILE  30          HG23      ILE  30  -2.718  16.478   6.127
  242   HD11  ILE  30          HD11      ILE  30  -1.857  18.689   2.907
  243   HD12  ILE  30          HD12      ILE  30  -1.385  17.597   4.209
  244   HD13  ILE  30          HD13      ILE  30  -2.603  17.096   3.036
  245    H    LEU  31           H        LEU  31  -4.120  15.682   2.257
  246    HA   LEU  31           HA       LEU  31  -5.097  13.151   3.392
  247    HB2  LEU  31           HB2      LEU  31  -4.834  12.606   0.718
  248    HB3  LEU  31           HB3      LEU  31  -6.349  12.887   1.573
  249    HG   LEU  31           HG       LEU  31  -4.873  15.201   0.391
  250   HD11  LEU  31          HD11      LEU  31  -5.216  13.201  -1.258
  251   HD12  LEU  31          HD12      LEU  31  -6.895  13.741  -1.241
  252   HD13  LEU  31          HD13      LEU  31  -5.619  14.846  -1.750
  253   HD21  LEU  31          HD21      LEU  31  -7.712  15.190   0.067
  254   HD22  LEU  31          HD22      LEU  31  -7.314  14.800   1.740
  255   HD23  LEU  31          HD23      LEU  31  -6.705  16.286   1.012
  256    H    THR  32           H        THR  32  -3.785  11.272   2.785
  257    HA   THR  32           HA       THR  32  -0.953  12.012   2.646
  258    HB   THR  32           HB       THR  32  -2.000   9.261   3.279
  259    HG1  THR  32           HG1      THR  32  -1.838  11.549   4.937
  260   HG21  THR  32          HG21      THR  32   0.101   8.872   4.222
  261   HG22  THR  32          HG22      THR  32   0.472   9.820   2.782
  262   HG23  THR  32          HG23      THR  32   0.459  10.592   4.368
  263    H    LEU  33           H        LEU  33  -0.122  12.003   0.662
  264    HA   LEU  33           HA       LEU  33  -1.213  10.652  -1.549
  265    HB2  LEU  33           HB2      LEU  33   1.287  12.129  -0.970
  266    HB3  LEU  33           HB3      LEU  33   1.302  11.053  -2.366
  267    HG   LEU  33           HG       LEU  33   0.776  13.476  -2.830
  268   HD11  LEU  33          HD11      LEU  33  -1.507  11.736  -3.665
  269   HD12  LEU  33          HD12      LEU  33  -0.615  12.939  -4.597
  270   HD13  LEU  33          HD13      LEU  33   0.131  11.387  -4.216
  271   HD21  LEU  33          HD21      LEU  33  -1.776  12.719  -1.413
  272   HD22  LEU  33          HD22      LEU  33  -0.631  13.977  -0.947
  273   HD23  LEU  33          HD23      LEU  33  -1.578  14.151  -2.424
  274    H    LEU  34           H        LEU  34  -0.571   8.799  -2.647
  275    HA   LEU  34           HA       LEU  34   1.168   6.970  -1.126
  276    HB2  LEU  34           HB2      LEU  34  -1.368   6.423  -2.642
  277    HB3  LEU  34           HB3      LEU  34  -0.233   5.146  -2.210
  278    HG   LEU  34           HG       LEU  34  -1.778   6.900  -0.302
  279   HD11  LEU  34          HD11      LEU  34  -2.083   4.100  -1.288
  280   HD12  LEU  34          HD12      LEU  34  -2.593   4.514   0.349
  281   HD13  LEU  34          HD13      LEU  34  -3.307   5.343  -1.035
  282   HD21  LEU  34          HD21      LEU  34   0.288   4.763   0.191
  283   HD22  LEU  34          HD22      LEU  34   0.353   6.457   0.677
  284   HD23  LEU  34          HD23      LEU  34  -0.816   5.369   1.425
  285    H    ASN  35           H        ASN  35  -0.237   7.330  -4.389
  286    HA   ASN  35           HA       ASN  35   2.172   6.175  -5.547
  287    HB2  ASN  35           HB2      ASN  35   0.011   5.405  -6.393
  288    HB3  ASN  35           HB3      ASN  35  -0.423   7.054  -6.834
  289   HD21  ASN  35          HD21      ASN  35   2.650   5.362  -7.231
  290   HD22  ASN  35          HD22      ASN  35   2.690   5.472  -8.955
  291    H    SER  36           H        SER  36   0.162   8.954  -6.515
  292    HA   SER  36           HA       SER  36   0.701  11.066  -7.176
  293    HB2  SER  36           HB2      SER  36   2.750  10.385  -5.253
  294    HB3  SER  36           HB3      SER  36   3.411  11.414  -6.522
  295    HG   SER  36           HG       SER  36   1.566  12.815  -6.112
  296    H    THR  37           H        THR  37   1.474   8.494  -8.658
  297    HA   THR  37           HA       THR  37   3.542   9.563 -10.439
  298    HB   THR  37           HB       THR  37   2.323   6.795 -10.366
  299    HG1  THR  37           HG1      THR  37   4.973   7.448  -9.631
  300   HG21  THR  37          HG21      THR  37   3.120   6.899 -12.512
  301   HG22  THR  37          HG22      THR  37   4.336   8.114 -12.118
  302   HG23  THR  37          HG23      THR  37   4.598   6.428 -11.673
  303    H    ASN  38           H        ASN  38   0.173   8.597 -10.361
  304    HA   ASN  38           HA       ASN  38  -0.116   9.156 -13.217
  305    HB2  ASN  38           HB2      ASN  38  -1.198   7.134 -12.541
  306    HB3  ASN  38           HB3      ASN  38  -1.978   7.933 -11.179
  307   HD21  ASN  38          HD21      ASN  38  -1.661   8.892 -14.570
  308   HD22  ASN  38          HD22      ASN  38  -3.358   8.995 -14.880
  309    H    LYS  39           H        LYS  39  -0.126  11.330 -13.482
  310    HA   LYS  39           HA       LYS  39  -1.047  13.297 -11.817
  311    HB2  LYS  39           HB2      LYS  39   0.150  13.882 -13.805
  312    HB3  LYS  39           HB3      LYS  39  -1.086  13.169 -14.832
  313    HG2  LYS  39           HG2      LYS  39  -2.665  14.895 -14.147
  314    HG3  LYS  39           HG3      LYS  39  -1.437  15.606 -13.098
  315    HD2  LYS  39           HD2      LYS  39  -0.208  15.380 -15.589
  316    HD3  LYS  39           HD3      LYS  39  -1.848  15.931 -15.942
  317    HE2  LYS  39           HE2      LYS  39  -1.443  17.647 -14.068
  318    HE3  LYS  39           HE3      LYS  39   0.262  17.241 -14.258
  319    HZ1  LYS  39           HZ1      LYS  39  -0.468  19.182 -15.584
  320    HZ2  LYS  39           HZ2      LYS  39   0.197  17.942 -16.522
  321    HZ3  LYS  39           HZ3      LYS  39  -1.480  18.162 -16.478
  322    H    ASP  40           H        ASP  40  -2.933  11.646 -14.346
  323    HA   ASP  40           HA       ASP  40  -5.341  12.933 -14.080
  324    HB2  ASP  40           HB2      ASP  40  -5.152   9.942 -14.416
  325    HB3  ASP  40           HB3      ASP  40  -6.368  11.034 -15.071
  326    H    TRP  41           H        TRP  41  -4.149  10.198 -12.159
  327    HA   TRP  41           HA       TRP  41  -5.986  10.976 -10.020
  328    HB2  TRP  41           HB2      TRP  41  -5.869   8.266 -11.326
  329    HB3  TRP  41           HB3      TRP  41  -6.425   8.460  -9.666
  330    HD1  TRP  41           HD1      TRP  41  -7.464   9.129 -13.271
  331    HE1  TRP  41           HE1      TRP  41  -9.952   9.786 -13.311
  332    HE3  TRP  41           HE3      TRP  41  -8.267   9.579  -8.242
  333    HZ2  TRP  41           HZ2      TRP  41 -11.986  10.413 -11.457
  334    HZ3  TRP  41           HZ3      TRP  41 -10.511  10.211  -7.458
  335    HH2  TRP  41           HH2      TRP  41 -12.331  10.620  -9.033
  336    H    TRP  42           H        TRP  42  -4.801  11.270  -8.263
  337    HA   TRP  42           HA       TRP  42  -2.273   9.817  -7.980
  338    HB2  TRP  42           HB2      TRP  42  -3.361  12.336  -6.744
  339    HB3  TRP  42           HB3      TRP  42  -1.967  11.509  -6.054
  340    HD1  TRP  42           HD1      TRP  42  -0.842  10.730  -9.103
  341    HE1  TRP  42           HE1      TRP  42   0.419  12.586 -10.364
  342    HE3  TRP  42           HE3      TRP  42  -2.563  14.787  -6.511
  343    HZ2  TRP  42           HZ2      TRP  42   0.653  15.398 -10.272
  344    HZ3  TRP  42           HZ3      TRP  42  -1.771  17.024  -7.161
  345    HH2  TRP  42           HH2      TRP  42  -0.196  17.321  -9.002
  346    H    LYS  43           H        LYS  43  -2.536   7.915  -6.989
  347    HA   LYS  43           HA       LYS  43  -4.591   7.210  -5.243
  348    HB2  LYS  43           HB2      LYS  43  -3.287   5.504  -6.318
  349    HB3  LYS  43           HB3      LYS  43  -1.807   6.084  -5.565
  350    HG2  LYS  43           HG2      LYS  43  -3.019   5.536  -3.341
  351    HG3  LYS  43           HG3      LYS  43  -4.061   4.540  -4.360
  352    HD2  LYS  43           HD2      LYS  43  -1.129   4.260  -4.716
  353    HD3  LYS  43           HD3      LYS  43  -1.833   3.601  -3.238
  354    HE2  LYS  43           HE2      LYS  43  -2.466   1.805  -4.380
  355    HE3  LYS  43           HE3      LYS  43  -3.523   2.827  -5.353
  356    HZ1  LYS  43           HZ1      LYS  43  -0.729   2.861  -6.116
  357    HZ2  LYS  43           HZ2      LYS  43  -1.513   1.380  -6.349
  358    HZ3  LYS  43           HZ3      LYS  43  -2.115   2.781  -7.082
  359    H    VAL  44           H        VAL  44  -4.934   7.454  -3.114
  360    HA   VAL  44           HA       VAL  44  -2.735   8.280  -1.376
  361    HB   VAL  44           HB       VAL  44  -3.935  10.138  -0.427
  362   HG11  VAL  44          HG11      VAL  44  -3.450  11.647  -2.058
  363   HG12  VAL  44          HG12      VAL  44  -2.687  10.227  -2.773
  364   HG13  VAL  44          HG13      VAL  44  -4.289  10.731  -3.310
  365   HG21  VAL  44          HG21      VAL  44  -6.201   9.346  -0.608
  366   HG22  VAL  44          HG22      VAL  44  -6.078  10.910  -1.415
  367   HG23  VAL  44          HG23      VAL  44  -6.130   9.427  -2.368
  368    H    GLU  45           H        GLU  45  -3.593   8.450   0.969
  369    HA   GLU  45           HA       GLU  45  -5.567   6.311   1.428
  370    HB2  GLU  45           HB2      GLU  45  -3.436   5.367   1.940
  371    HB3  GLU  45           HB3      GLU  45  -2.941   6.801   2.829
  372    HG2  GLU  45           HG2      GLU  45  -4.573   6.322   4.558
  373    HG3  GLU  45           HG3      GLU  45  -5.139   4.918   3.656
  374    H    VAL  46           H        VAL  46  -7.252   6.913   2.608
  375    HA   VAL  46           HA       VAL  46  -6.927   8.994   4.643
  376    HB   VAL  46           HB       VAL  46  -9.169   9.954   3.885
  377   HG11  VAL  46          HG11      VAL  46  -7.092  10.467   1.809
  378   HG12  VAL  46          HG12      VAL  46  -8.099  11.606   2.703
  379   HG13  VAL  46          HG13      VAL  46  -6.727  10.831   3.496
  380   HG21  VAL  46          HG21      VAL  46  -9.548   7.979   2.309
  381   HG22  VAL  46          HG22      VAL  46  -9.924   9.588   1.694
  382   HG23  VAL  46          HG23      VAL  46  -8.425   8.791   1.217
  383    H    ASN  47           H        ASN  47  -7.959   8.527   6.483
  384    HA   ASN  47           HA       ASN  47  -9.010   7.164   8.007
  385    HB2  ASN  47           HB2      ASN  47 -11.540   6.929   7.312
  386    HB3  ASN  47           HB3      ASN  47 -10.871   8.504   7.727
  387   HD21  ASN  47          HD21      ASN  47 -11.961   6.437   5.151
  388   HD22  ASN  47          HD22      ASN  47 -12.101   7.672   3.950
  389    H    ASP  48           H        ASP  48  -7.564   5.379   7.101
  390    HA   ASP  48           HA       ASP  48  -7.246   3.262   6.268
  391    HB2  ASP  48           HB2      ASP  48  -8.892   3.240   8.437
  392    HB3  ASP  48           HB3      ASP  48  -9.873   2.366   7.264
  393    H    ARG  49           H        ARG  49  -8.455   5.005   4.358
  394    HA   ARG  49           HA       ARG  49  -9.735   2.993   2.677
  395    HB2  ARG  49           HB2      ARG  49 -11.112   5.255   3.845
  396    HB3  ARG  49           HB3      ARG  49 -11.134   5.345   2.089
  397    HG2  ARG  49           HG2      ARG  49 -11.938   2.873   3.592
  398    HG3  ARG  49           HG3      ARG  49 -13.074   4.160   3.184
  399    HD2  ARG  49           HD2      ARG  49 -11.657   3.582   0.828
  400    HD3  ARG  49           HD3      ARG  49 -12.074   2.026   1.545
  401    HE   ARG  49           HE       ARG  49 -14.291   2.444   1.104
  402   HH11  ARG  49          HH11      ARG  49 -12.434   5.353   0.643
  403   HH12  ARG  49          HH12      ARG  49 -13.738   6.224  -0.094
  404   HH21  ARG  49          HH21      ARG  49 -16.015   3.580   0.136
  405   HH22  ARG  49          HH22      ARG  49 -15.775   5.215  -0.381
  406    H    GLN  50           H        GLN  50  -7.710   3.029   1.584
  407    HA   GLN  50           HA       GLN  50  -6.928   5.507   0.270
  408    HB2  GLN  50           HB2      GLN  50  -4.921   4.370  -0.366
  409    HB3  GLN  50           HB3      GLN  50  -5.239   3.984   1.320
  410    HG2  GLN  50           HG2      GLN  50  -4.827   1.887   0.666
  411    HG3  GLN  50           HG3      GLN  50  -6.496   1.932   0.103
  412   HE21  GLN  50          HE21      GLN  50  -3.169   2.521  -0.918
  413   HE22  GLN  50          HE22      GLN  50  -3.410   2.084  -2.572
  414    H    GLY  51           H        GLY  51  -6.846   5.794  -1.961
  415    HA2  GLY  51           HA2      GLY  51  -7.704   3.722  -3.766
  416    HA3  GLY  51           HA3      GLY  51  -8.927   4.957  -3.506
  417    H    PHE  52           H        PHE  52  -8.894   6.651  -4.822
  418    HA   PHE  52           HA       PHE  52  -6.356   7.526  -5.981
  419    HB2  PHE  52           HB2      PHE  52  -8.795   6.690  -7.545
  420    HB3  PHE  52           HB3      PHE  52  -7.567   7.757  -8.221
  421    HD1  PHE  52           HD1      PHE  52  -8.637   4.562  -8.359
  422    HD2  PHE  52           HD2      PHE  52  -5.060   6.722  -7.546
  423    HE1  PHE  52           HE1      PHE  52  -7.306   2.601  -9.020
  424    HE2  PHE  52           HE2      PHE  52  -3.724   4.765  -8.207
  425    HZ   PHE  52           HZ       PHE  52  -4.847   2.701  -8.945
  426    H    VAL  53           H        VAL  53  -6.154   9.661  -5.866
  427    HA   VAL  53           HA       VAL  53  -8.585  11.270  -5.449
  428    HB   VAL  53           HB       VAL  53  -6.359  11.125  -3.847
  429   HG11  VAL  53          HG11      VAL  53  -5.059  12.312  -5.602
  430   HG12  VAL  53          HG12      VAL  53  -6.139  13.693  -5.412
  431   HG13  VAL  53          HG13      VAL  53  -5.125  13.174  -4.065
  432   HG21  VAL  53          HG21      VAL  53  -7.634  12.407  -2.530
  433   HG22  VAL  53          HG22      VAL  53  -7.683  13.718  -3.707
  434   HG23  VAL  53          HG23      VAL  53  -8.811  12.369  -3.843
  435    HA   PRO  54           HA       PRO  54  -7.833  13.227  -9.333
  436    HB2  PRO  54           HB2      PRO  54  -9.393  15.418  -8.961
  437    HB3  PRO  54           HB3      PRO  54 -10.055  13.812  -9.287
  438    HG2  PRO  54           HG2      PRO  54  -9.758  15.244  -6.675
  439    HG3  PRO  54           HG3      PRO  54 -11.127  14.293  -7.280
  440    HD2  PRO  54           HD2      PRO  54  -9.327  13.299  -5.517
  441    HD3  PRO  54           HD3      PRO  54 -10.136  12.285  -6.729
  442    H    ALA  55           H        ALA  55  -5.960  14.191  -9.786
  443    HA   ALA  55           HA       ALA  55  -4.522  15.846  -8.029
  444    HB1  ALA  55           HB1      ALA  55  -3.522  14.541  -9.882
  445    HB2  ALA  55           HB2      ALA  55  -4.222  15.688 -11.025
  446    HB3  ALA  55           HB3      ALA  55  -3.011  16.229  -9.863
  447    H    ALA  56           H        ALA  56  -6.218  16.723 -11.047
  448    HA   ALA  56           HA       ALA  56  -5.887  19.442 -10.997
  449    HB1  ALA  56           HB1      ALA  56  -6.954  18.249 -12.840
  450    HB2  ALA  56           HB2      ALA  56  -8.378  17.965 -11.840
  451    HB3  ALA  56           HB3      ALA  56  -7.941  19.609 -12.305
  452    H    TYR  57           H        TYR  57  -8.101  17.503  -9.089
  453    HA   TYR  57           HA       TYR  57  -9.304  19.898  -7.925
  454    HB2  TYR  57           HB2      TYR  57  -9.956  16.960  -7.675
  455    HB3  TYR  57           HB3      TYR  57 -10.757  18.206  -6.724
  456    HD1  TYR  57           HD1      TYR  57 -11.149  16.210  -9.490
  457    HD2  TYR  57           HD2      TYR  57 -11.549  20.284  -8.330
  458    HE1  TYR  57           HE1      TYR  57 -12.752  16.567 -11.320
  459    HE2  TYR  57           HE2      TYR  57 -13.155  20.652 -10.157
  460    HH   TYR  57           HH       TYR  57 -14.842  18.792 -11.527
  461    H    VAL  58           H        VAL  58  -6.589  19.532  -7.356
  462    HA   VAL  58           HA       VAL  58  -6.717  19.324  -4.454
  463    HB   VAL  58           HB       VAL  58  -5.863  17.121  -5.774
  464   HG11  VAL  58          HG11      VAL  58  -3.528  17.009  -5.952
  465   HG12  VAL  58          HG12      VAL  58  -3.954  18.562  -6.673
  466   HG13  VAL  58          HG13      VAL  58  -3.299  18.499  -5.036
  467   HG21  VAL  58          HG21      VAL  58  -4.660  18.066  -3.177
  468   HG22  VAL  58          HG22      VAL  58  -6.303  17.445  -3.335
  469   HG23  VAL  58          HG23      VAL  58  -4.927  16.401  -3.693
  470    H    LYS  59           H        LYS  59  -4.541  19.979  -3.481
  471    HA   LYS  59           HA       LYS  59  -2.880  21.672  -5.127
  472    HB2  LYS  59           HB2      LYS  59  -5.062  22.767  -3.536
  473    HB3  LYS  59           HB3      LYS  59  -3.504  23.447  -3.087
  474    HG2  LYS  59           HG2      LYS  59  -4.523  23.343  -5.915
  475    HG3  LYS  59           HG3      LYS  59  -4.753  24.720  -4.834
  476    HD2  LYS  59           HD2      LYS  59  -2.146  24.510  -4.547
  477    HD3  LYS  59           HD3      LYS  59  -2.260  23.693  -6.107
  478    HE2  LYS  59           HE2      LYS  59  -2.350  25.671  -7.111
  479    HE3  LYS  59           HE3      LYS  59  -3.859  26.013  -6.267
  480    HZ1  LYS  59           HZ1      LYS  59  -2.802  27.239  -4.676
  481    HZ2  LYS  59           HZ2      LYS  59  -1.327  26.427  -4.846
  482    HZ3  LYS  59           HZ3      LYS  59  -1.802  27.570  -6.000
  483    H    LYS  60           H        LYS  60  -0.910  21.143  -4.476
  484    HA   LYS  60           HA       LYS  60  -0.325  19.924  -2.000
  485    HB2  LYS  60           HB2      LYS  60   0.980  19.992  -4.303
  486    HB3  LYS  60           HB3      LYS  60   1.806  21.342  -3.538
  487    HG2  LYS  60           HG2      LYS  60   1.610  18.555  -2.414
  488    HG3  LYS  60           HG3      LYS  60   3.010  19.233  -3.248
  489    HD2  LYS  60           HD2      LYS  60   2.614  21.123  -1.366
  490    HD3  LYS  60           HD3      LYS  60   2.019  19.700  -0.507
  491    HE2  LYS  60           HE2      LYS  60   4.117  19.127  -0.062
  492    HE3  LYS  60           HE3      LYS  60   4.413  18.942  -1.790
  493    HZ1  LYS  60           HZ1      LYS  60   4.681  21.530  -1.639
  494    HZ2  LYS  60           HZ2      LYS  60   5.054  21.188  -0.024
  495    HZ3  LYS  60           HZ3      LYS  60   5.970  20.498  -1.268
  496    H    LEU  61           H        LEU  61  -1.056  21.215  -0.315
  497    HA   LEU  61           HA       LEU  61   0.467  23.702   0.106
  498    HB2  LEU  61           HB2      LEU  61  -2.261  23.120   1.232
  499    HB3  LEU  61           HB3      LEU  61  -1.390  24.652   1.250
  500    HG   LEU  61           HG       LEU  61  -2.209  23.408  -1.348
  501   HD11  LEU  61          HD11      LEU  61  -4.364  23.612  -0.866
  502   HD12  LEU  61          HD12      LEU  61  -3.996  24.290   0.720
  503   HD13  LEU  61          HD13      LEU  61  -4.113  25.349  -0.686
  504   HD21  LEU  61          HD21      LEU  61  -1.703  25.416  -2.243
  505   HD22  LEU  61          HD22      LEU  61  -2.297  26.311  -0.844
  506   HD23  LEU  61          HD23      LEU  61  -0.699  25.568  -0.801
  507    H    ASP  62           H        ASP  62   1.792  21.623   0.931
  508    HA   ASP  62           HA       ASP  62   2.712  20.518   2.699
  509    HB2  ASP  62           HB2      ASP  62   1.915  23.180   3.711
  510    HB3  ASP  62           HB3      ASP  62   2.268  21.971   4.942
  Start of MODEL    8
    1    H1   MET   1           H        MET   1   0.018   4.464   3.212
    2    HA   MET   1           HA       MET   1   2.308   3.026   3.261
    3    HB2  MET   1           HB2      MET   1   0.762   1.981   0.901
    4    HB3  MET   1           HB3      MET   1   2.280   1.389   1.563
    5    HG2  MET   1           HG2      MET   1   1.007   0.721   3.618
    6    HG3  MET   1           HG3      MET   1  -0.470   1.105   2.736
    7    HE1  MET   1           HE1      MET   1  -1.461  -0.786   0.665
    8    HE2  MET   1           HE2      MET   1  -0.318   0.440   0.116
    9    HE3  MET   1           HE3      MET   1  -0.097  -1.246  -0.354
   10    H    ASP   2           H        ASP   2   3.290   2.982   0.723
   11    HA   ASP   2           HA       ASP   2   2.521   5.233  -0.838
   12    HB2  ASP   2           HB2      ASP   2   4.944   6.277  -0.355
   13    HB3  ASP   2           HB3      ASP   2   3.504   6.767   0.534
   14    H    GLU   3           H        GLU   3   5.783   4.051  -0.080
   15    HA   GLU   3           HA       GLU   3   7.400   3.158  -1.418
   16    HB2  GLU   3           HB2      GLU   3   5.140   1.466  -1.450
   17    HB3  GLU   3           HB3      GLU   3   5.754   1.503  -3.097
   18    HG2  GLU   3           HG2      GLU   3   7.995   0.915  -2.223
   19    HG3  GLU   3           HG3      GLU   3   7.284   0.753  -0.618
   20    H    THR   4           H        THR   4   6.025   5.573  -2.380
   21    HA   THR   4           HA       THR   4   7.130   5.610  -5.025
   22    HB   THR   4           HB       THR   4   4.199   6.261  -4.925
   23    HG1  THR   4           HG1      THR   4   3.840   4.134  -5.758
   24   HG21  THR   4          HG21      THR   4   4.313   6.285  -7.237
   25   HG22  THR   4          HG22      THR   4   5.900   6.916  -6.796
   26   HG23  THR   4          HG23      THR   4   5.726   5.230  -7.282
   27    H    GLY   5           H        GLY   5   7.451   7.031  -2.513
   28    HA2  GLY   5           HA2      GLY   5   8.146   9.240  -2.157
   29    HA3  GLY   5           HA3      GLY   5   7.238   9.732  -3.579
   30    H    LYS   6           H        LYS   6   7.212   9.366  -0.165
   31    HA   LYS   6           HA       LYS   6   4.384   9.669   0.188
   32    HB2  LYS   6           HB2      LYS   6   4.994  10.062   2.578
   33    HB3  LYS   6           HB3      LYS   6   5.631   8.562   1.917
   34    HG2  LYS   6           HG2      LYS   6   7.612  10.480   1.462
   35    HG3  LYS   6           HG3      LYS   6   7.025  10.774   3.100
   36    HD2  LYS   6           HD2      LYS   6   7.522   7.955   2.331
   37    HD3  LYS   6           HD3      LYS   6   8.936   8.990   2.544
   38    HE2  LYS   6           HE2      LYS   6   8.577   8.052   4.657
   39    HE3  LYS   6           HE3      LYS   6   7.879   9.667   4.771
   40    HZ1  LYS   6           HZ1      LYS   6   5.693   8.631   4.273
   41    HZ2  LYS   6           HZ2      LYS   6   6.423   7.109   4.400
   42    HZ3  LYS   6           HZ3      LYS   6   6.366   8.135   5.744
   43    H    GLU   7           H        GLU   7   3.314  11.482  -0.209
   44    HA   GLU   7           HA       GLU   7   4.529  14.039   0.563
   45    HB2  GLU   7           HB2      GLU   7   4.266  13.231  -2.084
   46    HB3  GLU   7           HB3      GLU   7   2.878  14.278  -1.822
   47    HG2  GLU   7           HG2      GLU   7   5.464  15.284  -0.831
   48    HG3  GLU   7           HG3      GLU   7   5.290  15.162  -2.581
   49    H    LEU   8           H        LEU   8   2.764  15.834   0.340
   50    HA   LEU   8           HA       LEU   8   0.175  14.772   1.246
   51    HB2  LEU   8           HB2      LEU   8   2.077  16.279   2.758
   52    HB3  LEU   8           HB3      LEU   8   0.619  17.244   2.534
   53    HG   LEU   8           HG       LEU   8  -0.723  15.614   3.639
   54   HD11  LEU   8          HD11      LEU   8   0.379  13.538   4.575
   55   HD12  LEU   8          HD12      LEU   8   0.112  13.562   2.832
   56   HD13  LEU   8          HD13      LEU   8   1.722  13.872   3.483
   57   HD21  LEU   8          HD21      LEU   8  -0.054  16.515   5.552
   58   HD22  LEU   8          HD22      LEU   8   1.209  15.290   5.663
   59   HD23  LEU   8          HD23      LEU   8   1.545  16.834   4.880
   60    H    VAL   9           H        VAL   9  -1.641  16.048   0.781
   61    HA   VAL   9           HA       VAL   9  -1.252  18.466  -0.805
   62    HB   VAL   9           HB       VAL   9  -2.688  17.730  -2.611
   63   HG11  VAL   9          HG11      VAL   9  -0.421  15.822  -2.052
   64   HG12  VAL   9          HG12      VAL   9  -1.225  15.993  -3.612
   65   HG13  VAL   9          HG13      VAL   9  -0.334  17.351  -2.926
   66   HG21  VAL   9          HG21      VAL   9  -2.901  15.216  -0.984
   67   HG22  VAL   9          HG22      VAL   9  -4.193  16.225  -1.633
   68   HG23  VAL   9          HG23      VAL   9  -3.224  15.228  -2.718
   69    H    LEU  10           H        LEU  10  -3.420  19.490  -1.331
   70    HA   LEU  10           HA       LEU  10  -5.279  19.053   0.914
   71    HB2  LEU  10           HB2      LEU  10  -4.211  21.536  -0.337
   72    HB3  LEU  10           HB3      LEU  10  -5.843  21.558   0.328
   73    HG   LEU  10           HG       LEU  10  -4.066  22.424   1.857
   74   HD11  LEU  10          HD11      LEU  10  -5.067  21.556   3.768
   75   HD12  LEU  10          HD12      LEU  10  -6.304  21.351   2.528
   76   HD13  LEU  10          HD13      LEU  10  -5.326  19.974   3.033
   77   HD21  LEU  10          HD21      LEU  10  -3.248  19.530   2.060
   78   HD22  LEU  10          HD22      LEU  10  -2.342  20.758   1.175
   79   HD23  LEU  10          HD23      LEU  10  -2.552  20.904   2.920
   80    H    ALA  11           H        ALA  11  -7.471  19.088   0.513
   81    HA   ALA  11           HA       ALA  11  -8.301  18.317  -2.095
   82    HB1  ALA  11           HB1      ALA  11  -9.692  18.813   0.500
   83    HB2  ALA  11           HB2      ALA  11 -10.638  18.636  -0.978
   84    HB3  ALA  11           HB3      ALA  11  -9.576  17.331  -0.450
   85    H    LEU  12           H        LEU  12  -8.333  19.743  -3.716
   86    HA   LEU  12           HA       LEU  12  -8.880  22.534  -3.297
   87    HB2  LEU  12           HB2      LEU  12  -7.294  21.540  -5.012
   88    HB3  LEU  12           HB3      LEU  12  -8.729  21.107  -5.939
   89    HG   LEU  12           HG       LEU  12  -9.317  23.480  -6.124
   90   HD11  LEU  12          HD11      LEU  12  -6.983  24.819  -5.467
   91   HD12  LEU  12          HD12      LEU  12  -8.513  24.876  -4.592
   92   HD13  LEU  12          HD13      LEU  12  -7.260  23.734  -4.105
   93   HD21  LEU  12          HD21      LEU  12  -7.046  24.110  -7.359
   94   HD22  LEU  12          HD22      LEU  12  -6.752  22.387  -7.128
   95   HD23  LEU  12          HD23      LEU  12  -8.180  22.927  -8.011
   96    H    TYR  13           H        TYR  13 -10.671  19.725  -4.278
   97    HA   TYR  13           HA       TYR  13 -13.098  21.361  -4.401
   98    HB2  TYR  13           HB2      TYR  13 -12.596  21.087  -6.712
   99    HB3  TYR  13           HB3      TYR  13 -12.188  19.389  -6.496
  100    HD1  TYR  13           HD1      TYR  13 -13.703  18.010  -7.544
  101    HD2  TYR  13           HD2      TYR  13 -15.140  21.506  -5.590
  102    HE1  TYR  13           HE1      TYR  13 -16.008  17.380  -8.125
  103    HE2  TYR  13           HE2      TYR  13 -17.449  20.885  -6.165
  104    HH   TYR  13           HH       TYR  13 -18.772  19.294  -7.009
  105    H    ASP  14           H        ASP  14 -14.789  20.486  -3.361
  106    HA   ASP  14           HA       ASP  14 -14.456  18.252  -1.693
  107    HB2  ASP  14           HB2      ASP  14 -16.227  20.297  -1.777
  108    HB3  ASP  14           HB3      ASP  14 -17.228  18.995  -2.414
  109    H    TYR  15           H        TYR  15 -13.914  16.389  -2.751
  110    HA   TYR  15           HA       TYR  15 -15.700  15.418  -4.860
  111    HB2  TYR  15           HB2      TYR  15 -12.954  15.381  -4.654
  112    HB3  TYR  15           HB3      TYR  15 -13.394  13.744  -4.181
  113    HD1  TYR  15           HD1      TYR  15 -14.726  12.331  -5.766
  114    HD2  TYR  15           HD2      TYR  15 -13.065  16.075  -6.916
  115    HE1  TYR  15           HE1      TYR  15 -14.987  11.713  -8.133
  116    HE2  TYR  15           HE2      TYR  15 -13.323  15.469  -9.286
  117    HH   TYR  15           HH       TYR  15 -15.212  12.905 -10.332
  118    H    GLN  16           H        GLN  16 -17.117  13.831  -4.519
  119    HA   GLN  16           HA       GLN  16 -17.139  12.541  -1.891
  120    HB2  GLN  16           HB2      GLN  16 -19.156  13.647  -3.483
  121    HB3  GLN  16           HB3      GLN  16 -19.403  11.909  -3.583
  122    HG2  GLN  16           HG2      GLN  16 -18.955  12.336  -0.899
  123    HG3  GLN  16           HG3      GLN  16 -19.900  13.741  -1.390
  124   HE21  GLN  16          HE21      GLN  16 -20.440  11.209   0.210
  125   HE22  GLN  16          HE22      GLN  16 -21.915  10.608  -0.458
  126    H    GLU  17           H        GLU  17 -16.522  11.897  -5.205
  127    HA   GLU  17           HA       GLU  17 -15.839  10.029  -6.310
  128    HB2  GLU  17           HB2      GLU  17 -15.653   8.709  -3.601
  129    HB3  GLU  17           HB3      GLU  17 -14.813   8.242  -5.074
  130    HG2  GLU  17           HG2      GLU  17 -14.391  10.817  -3.574
  131    HG3  GLU  17           HG3      GLU  17 -13.353   9.395  -3.480
  132    H    LYS  18           H        LYS  18 -16.405   7.638  -6.644
  133    HA   LYS  18           HA       LYS  18 -18.995   6.835  -5.628
  134    HB2  LYS  18           HB2      LYS  18 -18.561   7.588  -8.516
  135    HB3  LYS  18           HB3      LYS  18 -19.867   6.528  -8.003
  136    HG2  LYS  18           HG2      LYS  18 -19.443   9.373  -7.111
  137    HG3  LYS  18           HG3      LYS  18 -20.646   8.810  -8.274
  138    HD2  LYS  18           HD2      LYS  18 -20.967   7.231  -5.967
  139    HD3  LYS  18           HD3      LYS  18 -20.792   8.897  -5.411
  140    HE2  LYS  18           HE2      LYS  18 -22.543   9.558  -7.053
  141    HE3  LYS  18           HE3      LYS  18 -22.776   7.850  -7.426
  142    HZ1  LYS  18           HZ1      LYS  18 -22.899   8.478  -4.613
  143    HZ2  LYS  18           HZ2      LYS  18 -24.120   9.204  -5.531
  144    HZ3  LYS  18           HZ3      LYS  18 -23.930   7.523  -5.556
  145    H    SER  19           H        SER  19 -16.147   5.903  -5.787
  146    HA   SER  19           HA       SER  19 -16.760   3.159  -6.497
  147    HB2  SER  19           HB2      SER  19 -15.261   4.858  -8.262
  148    HB3  SER  19           HB3      SER  19 -14.204   3.593  -7.635
  149    HG   SER  19           HG       SER  19 -16.312   3.418  -9.379
  150    HA   PRO  20           HA       PRO  20 -14.132   2.226  -3.111
  151    HB2  PRO  20           HB2      PRO  20 -13.056  -0.147  -3.874
  152    HB3  PRO  20           HB3      PRO  20 -14.744   0.027  -3.380
  153    HG2  PRO  20           HG2      PRO  20 -13.581  -0.097  -6.135
  154    HG3  PRO  20           HG3      PRO  20 -15.035  -0.887  -5.498
  155    HD2  PRO  20           HD2      PRO  20 -15.139   1.369  -6.991
  156    HD3  PRO  20           HD3      PRO  20 -16.315   1.018  -5.709
  157    H    ARG  21           H        ARG  21 -12.736   2.301  -6.315
  158    HA   ARG  21           HA       ARG  21 -10.016   2.348  -5.296
  159    HB2  ARG  21           HB2      ARG  21  -9.317   2.033  -7.464
  160    HB3  ARG  21           HB3      ARG  21 -10.914   1.303  -7.540
  161    HG2  ARG  21           HG2      ARG  21 -11.690   3.651  -8.294
  162    HG3  ARG  21           HG3      ARG  21  -9.980   3.917  -8.641
  163    HD2  ARG  21           HD2      ARG  21 -10.029   2.602 -10.454
  164    HD3  ARG  21           HD3      ARG  21 -10.995   1.370  -9.644
  165    HE   ARG  21           HE       ARG  21 -11.956   3.526 -11.303
  166   HH11  ARG  21          HH11      ARG  21 -12.752   1.177  -8.859
  167   HH12  ARG  21          HH12      ARG  21 -14.445   1.178  -9.225
  168   HH21  ARG  21          HH21      ARG  21 -14.184   3.535 -11.794
  169   HH22  ARG  21          HH22      ARG  21 -15.259   2.518 -10.895
  170    H    GLU  22           H        GLU  22 -12.233   4.522  -4.994
  171    HA   GLU  22           HA       GLU  22 -10.593   6.786  -5.921
  172    HB2  GLU  22           HB2      GLU  22 -13.556   6.483  -5.521
  173    HB3  GLU  22           HB3      GLU  22 -12.805   8.073  -5.524
  174    HG2  GLU  22           HG2      GLU  22 -11.956   7.691  -7.767
  175    HG3  GLU  22           HG3      GLU  22 -12.653   6.072  -7.767
  176    H    VAL  23           H        VAL  23 -10.693   8.737  -4.516
  177    HA   VAL  23           HA       VAL  23 -10.856   7.995  -1.667
  178    HB   VAL  23           HB       VAL  23  -8.743   9.557  -3.117
  179   HG11  VAL  23          HG11      VAL  23  -9.818  10.078  -0.436
  180   HG12  VAL  23          HG12      VAL  23  -8.065   9.892  -0.509
  181   HG13  VAL  23          HG13      VAL  23  -8.864  11.113  -1.500
  182   HG21  VAL  23          HG21      VAL  23  -8.057   7.806  -0.871
  183   HG22  VAL  23          HG22      VAL  23  -8.844   6.985  -2.219
  184   HG23  VAL  23          HG23      VAL  23  -7.362   7.903  -2.489
  185    H    THR  24           H        THR  24 -12.537   9.019  -0.810
  186    HA   THR  24           HA       THR  24 -13.631  11.420  -1.901
  187    HB   THR  24           HB       THR  24 -14.221  10.036   0.723
  188    HG1  THR  24           HG1      THR  24 -14.845   8.719  -0.950
  189   HG21  THR  24          HG21      THR  24 -15.569  11.732   1.242
  190   HG22  THR  24          HG22      THR  24 -14.979  12.609  -0.170
  191   HG23  THR  24          HG23      THR  24 -16.401  11.574  -0.305
  192    H    MET  25           H        MET  25 -12.977  13.431  -1.547
  193    HA   MET  25           HA       MET  25 -11.619  14.048   0.991
  194    HB2  MET  25           HB2      MET  25 -10.034  15.433  -0.115
  195    HB3  MET  25           HB3      MET  25 -10.058  13.907  -0.988
  196    HG2  MET  25           HG2      MET  25 -11.949  15.820  -2.068
  197    HG3  MET  25           HG3      MET  25 -10.295  16.430  -2.072
  198    HE1  MET  25           HE1      MET  25  -8.725  16.080  -3.574
  199    HE2  MET  25           HE2      MET  25  -8.681  14.956  -4.932
  200    HE3  MET  25           HE3      MET  25  -9.817  16.305  -4.941
  201    H    LYS  26           H        LYS  26 -11.870  16.201   1.764
  202    HA   LYS  26           HA       LYS  26 -14.244  17.558   0.668
  203    HB2  LYS  26           HB2      LYS  26 -13.412  16.895   3.413
  204    HB3  LYS  26           HB3      LYS  26 -14.008  18.536   3.206
  205    HG2  LYS  26           HG2      LYS  26 -15.730  16.654   1.872
  206    HG3  LYS  26           HG3      LYS  26 -15.514  16.222   3.570
  207    HD2  LYS  26           HD2      LYS  26 -15.996  19.080   2.998
  208    HD3  LYS  26           HD3      LYS  26 -17.351  17.987   2.707
  209    HE2  LYS  26           HE2      LYS  26 -16.050  17.384   5.211
  210    HE3  LYS  26           HE3      LYS  26 -16.545  19.075   5.150
  211    HZ1  LYS  26           HZ1      LYS  26 -18.202  16.652   5.043
  212    HZ2  LYS  26           HZ2      LYS  26 -18.426  18.067   5.944
  213    HZ3  LYS  26           HZ3      LYS  26 -18.756  18.059   4.285
  214    H    LYS  27           H        LYS  27 -14.013  19.572  -0.059
  215    HA   LYS  27           HA       LYS  27 -11.679  20.835  -0.589
  216    HB2  LYS  27           HB2      LYS  27 -14.007  21.521  -1.310
  217    HB3  LYS  27           HB3      LYS  27 -14.157  22.350   0.234
  218    HG2  LYS  27           HG2      LYS  27 -12.207  23.734  -0.346
  219    HG3  LYS  27           HG3      LYS  27 -12.130  22.931  -1.917
  220    HD2  LYS  27           HD2      LYS  27 -13.290  24.954  -2.286
  221    HD3  LYS  27           HD3      LYS  27 -14.525  23.692  -2.265
  222    HE2  LYS  27           HE2      LYS  27 -15.282  25.601  -0.989
  223    HE3  LYS  27           HE3      LYS  27 -15.002  24.236   0.091
  224    HZ1  LYS  27           HZ1      LYS  27 -12.638  25.744  -0.129
  225    HZ2  LYS  27           HZ2      LYS  27 -13.912  26.791   0.251
  226    HZ3  LYS  27           HZ3      LYS  27 -13.585  25.460   1.244
  227    H    GLY  28           H        GLY  28 -10.053  21.064   0.834
  228    HA2  GLY  28           HA2      GLY  28  -9.060  22.607   2.405
  229    HA3  GLY  28           HA3      GLY  28 -10.607  22.681   3.236
  230    H    ASP  29           H        ASP  29  -9.139  19.698   2.126
  231    HA   ASP  29           HA       ASP  29  -8.530  19.001   4.921
  232    HB2  ASP  29           HB2      ASP  29  -9.771  17.109   4.859
  233    HB3  ASP  29           HB3      ASP  29 -10.630  17.936   3.563
  234    H    ILE  30           H        ILE  30  -6.930  17.295   5.173
  235    HA   ILE  30           HA       ILE  30  -4.960  17.359   2.991
  236    HB   ILE  30           HB       ILE  30  -4.728  17.593   5.871
  237   HG12  ILE  30          HG12      ILE  30  -3.805  19.027   3.912
  238   HG13  ILE  30          HG13      ILE  30  -2.798  18.793   5.337
  239   HG21  ILE  30          HG21      ILE  30  -4.131  15.268   5.855
  240   HG22  ILE  30          HG22      ILE  30  -3.030  15.515   4.500
  241   HG23  ILE  30          HG23      ILE  30  -2.664  16.223   6.073
  242   HD11  ILE  30          HD11      ILE  30  -1.784  18.541   2.964
  243   HD12  ILE  30          HD12      ILE  30  -1.335  17.406   4.237
  244   HD13  ILE  30          HD13      ILE  30  -2.523  16.941   3.020
  245    H    LEU  31           H        LEU  31  -4.054  15.496   2.201
  246    HA   LEU  31           HA       LEU  31  -5.046  12.949   3.285
  247    HB2  LEU  31           HB2      LEU  31  -4.794  12.433   0.613
  248    HB3  LEU  31           HB3      LEU  31  -6.307  12.746   1.461
  249    HG   LEU  31           HG       LEU  31  -4.775  15.037   0.312
  250   HD11  LEU  31          HD11      LEU  31  -6.760  13.522  -1.340
  251   HD12  LEU  31          HD12      LEU  31  -5.588  14.739  -1.844
  252   HD13  LEU  31          HD13      LEU  31  -5.043  13.125  -1.389
  253   HD21  LEU  31          HD21      LEU  31  -6.603  16.145   0.903
  254   HD22  LEU  31          HD22      LEU  31  -7.610  15.066  -0.062
  255   HD23  LEU  31          HD23      LEU  31  -7.243  14.664   1.616
  256    H    THR  32           H        THR  32  -3.735  11.081   2.671
  257    HA   THR  32           HA       THR  32  -0.902  11.816   2.529
  258    HB   THR  32           HB       THR  32  -1.891   9.041   3.110
  259    HG1  THR  32           HG1      THR  32  -3.005  10.276   4.599
  260   HG21  THR  32          HG21      THR  32   0.181   8.725   4.123
  261   HG22  THR  32          HG22      THR  32   0.575   9.751   2.743
  262   HG23  THR  32          HG23      THR  32   0.442  10.454   4.355
  263    H    LEU  33           H        LEU  33  -0.024  11.779   0.569
  264    HA   LEU  33           HA       LEU  33  -1.141  10.445  -1.656
  265    HB2  LEU  33           HB2      LEU  33   1.367  11.925  -1.089
  266    HB3  LEU  33           HB3      LEU  33   1.340  10.883  -2.510
  267    HG   LEU  33           HG       LEU  33   0.816  13.310  -2.916
  268   HD11  LEU  33          HD11      LEU  33  -1.608  11.889  -3.771
  269   HD12  LEU  33          HD12      LEU  33  -0.378  12.719  -4.724
  270   HD13  LEU  33          HD13      LEU  33  -0.089  11.077  -4.149
  271   HD21  LEU  33          HD21      LEU  33  -1.688  12.560  -1.413
  272   HD22  LEU  33          HD22      LEU  33  -0.511  13.798  -0.974
  273   HD23  LEU  33          HD23      LEU  33  -1.514  14.005  -2.410
  274    H    LEU  34           H        LEU  34  -0.558   8.572  -2.710
  275    HA   LEU  34           HA       LEU  34   1.236   6.770  -1.220
  276    HB2  LEU  34           HB2      LEU  34  -1.460   6.405  -2.300
  277    HB3  LEU  34           HB3      LEU  34  -0.338   5.112  -2.717
  278    HG   LEU  34           HG       LEU  34  -0.286   5.822   0.116
  279   HD11  LEU  34          HD11      LEU  34  -2.600   6.254  -0.085
  280   HD12  LEU  34          HD12      LEU  34  -2.840   4.877  -1.160
  281   HD13  LEU  34          HD13      LEU  34  -2.458   4.612   0.541
  282   HD21  LEU  34          HD21      LEU  34   0.835   3.867  -0.683
  283   HD22  LEU  34          HD22      LEU  34  -0.537   3.346   0.295
  284   HD23  LEU  34          HD23      LEU  34  -0.632   3.280  -1.465
  285    H    ASN  35           H        ASN  35  -0.200   7.089  -4.474
  286    HA   ASN  35           HA       ASN  35   2.187   5.932  -5.655
  287    HB2  ASN  35           HB2      ASN  35   0.004   5.235  -6.509
  288    HB3  ASN  35           HB3      ASN  35  -0.383   6.902  -6.924
  289   HD21  ASN  35          HD21      ASN  35   2.636   5.123  -7.353
  290   HD22  ASN  35          HD22      ASN  35   2.679   5.263  -9.075
  291    H    SER  36           H        SER  36   0.252   8.786  -6.559
  292    HA   SER  36           HA       SER  36   0.847  10.889  -7.199
  293    HB2  SER  36           HB2      SER  36   2.889  10.121  -5.290
  294    HB3  SER  36           HB3      SER  36   3.552  11.183  -6.532
  295    HG   SER  36           HG       SER  36   2.319  12.004  -4.483
  296    H    THR  37           H        THR  37   1.574   8.314  -8.709
  297    HA   THR  37           HA       THR  37   3.670   9.363 -10.468
  298    HB   THR  37           HB       THR  37   2.393   6.621 -10.443
  299    HG1  THR  37           HG1      THR  37   4.719   7.694  -9.247
  300   HG21  THR  37          HG21      THR  37   3.290   7.301 -12.642
  301   HG22  THR  37          HG22      THR  37   4.854   7.611 -11.889
  302   HG23  THR  37          HG23      THR  37   4.203   5.972 -11.928
  303    H    ASN  38           H        ASN  38   0.281   8.471 -10.415
  304    HA   ASN  38           HA       ASN  38   0.019   9.075 -13.266
  305    HB2  ASN  38           HB2      ASN  38  -1.092   7.053 -12.589
  306    HB3  ASN  38           HB3      ASN  38  -1.905   7.881 -11.264
  307   HD21  ASN  38          HD21      ASN  38  -1.457   8.752 -14.667
  308   HD22  ASN  38          HD22      ASN  38  -3.140   8.896 -15.030
  309    H    LYS  39           H        LYS  39   0.060  11.257 -13.484
  310    HA   LYS  39           HA       LYS  39  -0.852  13.206 -11.789
  311    HB2  LYS  39           HB2      LYS  39   0.396  13.809 -13.741
  312    HB3  LYS  39           HB3      LYS  39  -0.836  13.145 -14.807
  313    HG2  LYS  39           HG2      LYS  39  -2.398  14.888 -14.054
  314    HG3  LYS  39           HG3      LYS  39  -1.121  15.571 -13.045
  315    HD2  LYS  39           HD2      LYS  39   0.075  15.359 -15.518
  316    HD3  LYS  39           HD3      LYS  39  -1.581  15.826 -15.913
  317    HE2  LYS  39           HE2      LYS  39  -1.341  17.659 -14.194
  318    HE3  LYS  39           HE3      LYS  39   0.376  17.265 -14.132
  319    HZ1  LYS  39           HZ1      LYS  39   0.745  18.140 -16.172
  320    HZ2  LYS  39           HZ2      LYS  39  -0.789  17.742 -16.765
  321    HZ3  LYS  39           HZ3      LYS  39  -0.594  19.088 -15.759
  322    H    ASP  40           H        ASP  40  -2.719  11.628 -14.376
  323    HA   ASP  40           HA       ASP  40  -5.107  12.960 -14.138
  324    HB2  ASP  40           HB2      ASP  40  -4.715  11.289 -15.866
  325    HB3  ASP  40           HB3      ASP  40  -4.683  10.010 -14.655
  326    H    TRP  41           H        TRP  41  -4.038  10.137 -12.265
  327    HA   TRP  41           HA       TRP  41  -5.900  10.923 -10.146
  328    HB2  TRP  41           HB2      TRP  41  -5.775   8.233 -11.492
  329    HB3  TRP  41           HB3      TRP  41  -6.362   8.401  -9.839
  330    HD1  TRP  41           HD1      TRP  41  -7.350   9.058 -13.447
  331    HE1  TRP  41           HE1      TRP  41  -9.824   9.765 -13.524
  332    HE3  TRP  41           HE3      TRP  41  -8.190   9.623  -8.435
  333    HZ2  TRP  41           HZ2      TRP  41 -11.861  10.471 -11.702
  334    HZ3  TRP  41           HZ3      TRP  41 -10.428  10.317  -7.686
  335    HH2  TRP  41           HH2      TRP  41 -12.224  10.732  -9.287
  336    H    TRP  42           H        TRP  42  -4.753  11.189  -8.360
  337    HA   TRP  42           HA       TRP  42  -2.242   9.717  -8.035
  338    HB2  TRP  42           HB2      TRP  42  -3.355  12.219  -6.791
  339    HB3  TRP  42           HB3      TRP  42  -1.992  11.373  -6.065
  340    HD1  TRP  42           HD1      TRP  42  -0.770  10.632  -9.089
  341    HE1  TRP  42           HE1      TRP  42   0.549  12.498 -10.275
  342    HE3  TRP  42           HE3      TRP  42  -2.541  14.660  -6.485
  343    HZ2  TRP  42           HZ2      TRP  42   0.805  15.305 -10.126
  344    HZ3  TRP  42           HZ3      TRP  42  -1.708  16.900  -7.069
  345    HH2  TRP  42           HH2      TRP  42  -0.070  17.214  -8.851
  346    H    LYS  43           H        LYS  43  -2.488   7.814  -7.053
  347    HA   LYS  43           HA       LYS  43  -4.606   7.086  -5.374
  348    HB2  LYS  43           HB2      LYS  43  -3.242   5.424  -6.505
  349    HB3  LYS  43           HB3      LYS  43  -1.823   5.926  -5.595
  350    HG2  LYS  43           HG2      LYS  43  -3.489   5.318  -3.570
  351    HG3  LYS  43           HG3      LYS  43  -4.068   4.197  -4.805
  352    HD2  LYS  43           HD2      LYS  43  -1.157   4.311  -4.619
  353    HD3  LYS  43           HD3      LYS  43  -1.931   3.778  -3.125
  354    HE2  LYS  43           HE2      LYS  43  -1.889   1.755  -4.108
  355    HE3  LYS  43           HE3      LYS  43  -3.318   2.345  -4.956
  356    HZ1  LYS  43           HZ1      LYS  43  -2.217   2.035  -6.836
  357    HZ2  LYS  43           HZ2      LYS  43  -1.134   3.255  -6.386
  358    HZ3  LYS  43           HZ3      LYS  43  -0.792   1.641  -6.013
  359    H    VAL  44           H        VAL  44  -5.022   7.436  -3.290
  360    HA   VAL  44           HA       VAL  44  -2.840   8.082  -1.456
  361    HB   VAL  44           HB       VAL  44  -3.893  10.042  -0.569
  362   HG11  VAL  44          HG11      VAL  44  -2.613  10.020  -2.893
  363   HG12  VAL  44          HG12      VAL  44  -4.168  10.623  -3.466
  364   HG13  VAL  44          HG13      VAL  44  -3.290  11.499  -2.212
  365   HG21  VAL  44          HG21      VAL  44  -5.964  10.964  -1.525
  366   HG22  VAL  44          HG22      VAL  44  -6.111   9.538  -2.552
  367   HG23  VAL  44          HG23      VAL  44  -6.217   9.377  -0.799
  368    H    GLU  45           H        GLU  45  -3.659   8.192   0.845
  369    HA   GLU  45           HA       GLU  45  -5.859   6.265   1.216
  370    HB2  GLU  45           HB2      GLU  45  -3.873   5.124   1.817
  371    HB3  GLU  45           HB3      GLU  45  -3.232   6.524   2.665
  372    HG2  GLU  45           HG2      GLU  45  -4.669   6.227   4.484
  373    HG3  GLU  45           HG3      GLU  45  -5.726   5.142   3.582
  374    H    VAL  46           H        VAL  46  -7.488   6.867   2.498
  375    HA   VAL  46           HA       VAL  46  -7.084   8.974   4.481
  376    HB   VAL  46           HB       VAL  46  -9.262  10.048   3.704
  377   HG11  VAL  46          HG11      VAL  46  -8.105  11.621   2.491
  378   HG12  VAL  46          HG12      VAL  46  -6.782  10.791   3.310
  379   HG13  VAL  46          HG13      VAL  46  -7.153  10.413   1.627
  380   HG21  VAL  46          HG21      VAL  46  -9.795   8.106   2.165
  381   HG22  VAL  46          HG22      VAL  46 -10.002   9.720   1.485
  382   HG23  VAL  46          HG23      VAL  46  -8.579   8.764   1.071
  383    H    ASN  47           H        ASN  47  -8.108   8.527   6.324
  384    HA   ASN  47           HA       ASN  47  -9.224   7.200   7.837
  385    HB2  ASN  47           HB2      ASN  47 -11.771   7.196   7.228
  386    HB3  ASN  47           HB3      ASN  47 -10.964   8.715   7.604
  387   HD21  ASN  47          HD21      ASN  47 -12.202   6.689   5.039
  388   HD22  ASN  47          HD22      ASN  47 -12.328   7.937   3.852
  389    H    ASP  48           H        ASP  48  -7.986   5.297   6.983
  390    HA   ASP  48           HA       ASP  48  -7.840   3.179   6.099
  391    HB2  ASP  48           HB2      ASP  48  -9.555   3.280   8.220
  392    HB3  ASP  48           HB3      ASP  48 -10.561   2.502   7.002
  393    H    ARG  49           H        ARG  49  -8.794   5.041   4.180
  394    HA   ARG  49           HA       ARG  49 -10.198   3.196   2.420
  395    HB2  ARG  49           HB2      ARG  49 -11.438   5.525   3.618
  396    HB3  ARG  49           HB3      ARG  49 -11.416   5.650   1.864
  397    HG2  ARG  49           HG2      ARG  49 -12.437   3.227   3.319
  398    HG3  ARG  49           HG3      ARG  49 -13.462   4.592   2.870
  399    HD2  ARG  49           HD2      ARG  49 -12.004   3.911   0.569
  400    HD3  ARG  49           HD3      ARG  49 -12.555   2.389   1.268
  401    HE   ARG  49           HE       ARG  49 -14.719   2.960   0.745
  402   HH11  ARG  49          HH11      ARG  49 -12.650   5.734   0.362
  403   HH12  ARG  49          HH12      ARG  49 -13.862   6.694  -0.419
  404   HH21  ARG  49          HH21      ARG  49 -16.324   4.214  -0.283
  405   HH22  ARG  49          HH22      ARG  49 -15.952   5.829  -0.784
  406    H    GLN  50           H        GLN  50  -8.220   3.091   1.303
  407    HA   GLN  50           HA       GLN  50  -7.263   5.565   0.064
  408    HB2  GLN  50           HB2      GLN  50  -5.242   4.409  -0.431
  409    HB3  GLN  50           HB3      GLN  50  -5.669   3.994   1.224
  410    HG2  GLN  50           HG2      GLN  50  -5.746   1.835   0.745
  411    HG3  GLN  50           HG3      GLN  50  -6.809   2.112  -0.633
  412   HE21  GLN  50          HE21      GLN  50  -3.460   3.045   0.071
  413   HE22  GLN  50          HE22      GLN  50  -2.783   2.341  -1.354
  414    H    GLY  51           H        GLY  51  -6.821   5.642  -2.218
  415    HA2  GLY  51           HA2      GLY  51  -7.674   3.625  -4.016
  416    HA3  GLY  51           HA3      GLY  51  -8.941   4.828  -3.826
  417    H    PHE  52           H        PHE  52  -8.868   6.574  -5.086
  418    HA   PHE  52           HA       PHE  52  -6.303   7.464  -6.168
  419    HB2  PHE  52           HB2      PHE  52  -8.633   6.470  -7.768
  420    HB3  PHE  52           HB3      PHE  52  -7.610   7.743  -8.424
  421    HD1  PHE  52           HD1      PHE  52  -5.027   7.242  -8.315
  422    HD2  PHE  52           HD2      PHE  52  -8.086   4.284  -8.208
  423    HE1  PHE  52           HE1      PHE  52  -3.415   5.551  -9.087
  424    HE2  PHE  52           HE2      PHE  52  -6.479   2.589  -8.978
  425    HZ   PHE  52           HZ       PHE  52  -4.139   3.221  -9.419
  426    H    VAL  53           H        VAL  53  -6.118   9.593  -5.983
  427    HA   VAL  53           HA       VAL  53  -8.572  11.185  -5.646
  428    HB   VAL  53           HB       VAL  53  -6.375  11.040  -3.990
  429   HG11  VAL  53          HG11      VAL  53  -5.192  13.128  -4.140
  430   HG12  VAL  53          HG12      VAL  53  -5.065  12.293  -5.688
  431   HG13  VAL  53          HG13      VAL  53  -6.186  13.641  -5.503
  432   HG21  VAL  53          HG21      VAL  53  -7.751  13.597  -3.809
  433   HG22  VAL  53          HG22      VAL  53  -8.856  12.240  -4.027
  434   HG23  VAL  53          HG23      VAL  53  -7.722  12.245  -2.677
  435    HA   PRO  54           HA       PRO  54  -7.717  13.196  -9.480
  436    HB2  PRO  54           HB2      PRO  54  -9.278  15.387  -9.120
  437    HB3  PRO  54           HB3      PRO  54  -9.937  13.787  -9.481
  438    HG2  PRO  54           HG2      PRO  54  -9.700  15.188  -6.846
  439    HG3  PRO  54           HG3      PRO  54 -11.056  14.248  -7.495
  440    HD2  PRO  54           HD2      PRO  54  -9.303  13.228  -5.701
  441    HD3  PRO  54           HD3      PRO  54 -10.086  12.231  -6.945
  442    H    ALA  55           H        ALA  55  -5.811  14.136  -9.851
  443    HA   ALA  55           HA       ALA  55  -4.421  15.773  -8.046
  444    HB1  ALA  55           HB1      ALA  55  -4.037  15.653 -11.034
  445    HB2  ALA  55           HB2      ALA  55  -2.855  16.162  -9.828
  446    HB3  ALA  55           HB3      ALA  55  -3.383  14.480  -9.890
  447    H    ALA  56           H        ALA  56  -6.054  16.683 -11.088
  448    HA   ALA  56           HA       ALA  56  -5.703  19.399 -11.020
  449    HB1  ALA  56           HB1      ALA  56  -7.740  19.588 -12.353
  450    HB2  ALA  56           HB2      ALA  56  -6.758  18.222 -12.882
  451    HB3  ALA  56           HB3      ALA  56  -8.197  17.946 -11.899
  452    H    TYR  57           H        TYR  57  -7.961  17.469  -9.152
  453    HA   TYR  57           HA       TYR  57  -9.154  19.869  -7.988
  454    HB2  TYR  57           HB2      TYR  57  -9.842  16.938  -7.781
  455    HB3  TYR  57           HB3      TYR  57 -10.633  18.176  -6.812
  456    HD1  TYR  57           HD1      TYR  57 -11.032  16.234  -9.615
  457    HD2  TYR  57           HD2      TYR  57 -11.393  20.291  -8.385
  458    HE1  TYR  57           HE1      TYR  57 -12.620  16.642 -11.449
  459    HE2  TYR  57           HE2      TYR  57 -12.983  20.710 -10.214
  460    HH   TYR  57           HH       TYR  57 -13.864  19.879 -12.114
  461    H    VAL  58           H        VAL  58  -6.457  19.491  -7.381
  462    HA   VAL  58           HA       VAL  58  -6.628  19.225  -4.482
  463    HB   VAL  58           HB       VAL  58  -5.722  17.068  -5.839
  464   HG11  VAL  58          HG11      VAL  58  -3.187  18.470  -5.051
  465   HG12  VAL  58          HG12      VAL  58  -3.385  16.998  -6.002
  466   HG13  VAL  58          HG13      VAL  58  -3.830  18.559  -6.691
  467   HG21  VAL  58          HG21      VAL  58  -4.541  17.967  -3.216
  468   HG22  VAL  58          HG22      VAL  58  -6.184  17.348  -3.392
  469   HG23  VAL  58          HG23      VAL  58  -4.806  16.313  -3.768
  470    H    LYS  59           H        LYS  59  -4.469  19.883  -3.466
  471    HA   LYS  59           HA       LYS  59  -2.833  21.662  -5.050
  472    HB2  LYS  59           HB2      LYS  59  -5.014  22.650  -3.370
  473    HB3  LYS  59           HB3      LYS  59  -3.458  23.362  -2.968
  474    HG2  LYS  59           HG2      LYS  59  -4.443  23.261  -5.795
  475    HG3  LYS  59           HG3      LYS  59  -4.921  24.553  -4.692
  476    HD2  LYS  59           HD2      LYS  59  -2.541  25.071  -4.311
  477    HD3  LYS  59           HD3      LYS  59  -2.098  23.816  -5.470
  478    HE2  LYS  59           HE2      LYS  59  -2.082  26.100  -6.433
  479    HE3  LYS  59           HE3      LYS  59  -3.191  25.003  -7.252
  480    HZ1  LYS  59           HZ1      LYS  59  -4.072  26.864  -5.123
  481    HZ2  LYS  59           HZ2      LYS  59  -4.063  27.292  -6.760
  482    HZ3  LYS  59           HZ3      LYS  59  -5.033  26.014  -6.225
  483    H    LYS  60           H        LYS  60  -0.855  21.122  -4.427
  484    HA   LYS  60           HA       LYS  60  -0.243  19.825  -2.000
  485    HB2  LYS  60           HB2      LYS  60   1.051  19.987  -4.301
  486    HB3  LYS  60           HB3      LYS  60   1.860  21.327  -3.498
  487    HG2  LYS  60           HG2      LYS  60   1.658  18.633  -2.205
  488    HG3  LYS  60           HG3      LYS  60   2.932  19.008  -3.368
  489    HD2  LYS  60           HD2      LYS  60   2.667  21.102  -1.395
  490    HD3  LYS  60           HD3      LYS  60   2.944  19.536  -0.630
  491    HE2  LYS  60           HE2      LYS  60   5.109  20.072  -1.004
  492    HE3  LYS  60           HE3      LYS  60   4.762  19.395  -2.594
  493    HZ1  LYS  60           HZ1      LYS  60   4.014  21.926  -2.948
  494    HZ2  LYS  60           HZ2      LYS  60   5.257  22.146  -1.820
  495    HZ3  LYS  60           HZ3      LYS  60   5.572  21.358  -3.284
  496    H    LEU  61           H        LEU  61  -0.988  21.047  -0.267
  497    HA   LEU  61           HA       LEU  61   0.532  23.517   0.255
  498    HB2  LEU  61           HB2      LEU  61  -2.219  22.936   1.319
  499    HB3  LEU  61           HB3      LEU  61  -1.336  24.460   1.373
  500    HG   LEU  61           HG       LEU  61  -2.124  23.271  -1.259
  501   HD11  LEU  61          HD11      LEU  61  -4.039  25.196  -0.581
  502   HD12  LEU  61          HD12      LEU  61  -4.286  23.465  -0.809
  503   HD13  LEU  61          HD13      LEU  61  -3.944  24.103   0.799
  504   HD21  LEU  61          HD21      LEU  61  -2.293  25.770  -1.747
  505   HD22  LEU  61          HD22      LEU  61  -1.480  26.007  -0.200
  506   HD23  LEU  61          HD23      LEU  61  -0.681  25.104  -1.488
  507    H    ASP  62           H        ASP  62   1.839  21.433   1.048
  508    HA   ASP  62           HA       ASP  62   2.716  20.267   2.799
  509    HB2  ASP  62           HB2      ASP  62   1.911  22.896   3.848
  510    HB3  ASP  62           HB3      ASP  62   2.135  21.656   5.079
  Start of MODEL    9
    1    H1   MET   1           H        MET   1   1.041   0.962   0.579
    2    HA   MET   1           HA       MET   1   2.783  -0.346  -0.961
    3    HB2  MET   1           HB2      MET   1   0.811   1.064  -2.700
    4    HB3  MET   1           HB3      MET   1   2.495   1.034  -3.205
    5    HG2  MET   1           HG2      MET   1   2.367  -1.085  -3.858
    6    HG3  MET   1           HG3      MET   1   1.553  -1.577  -2.375
    7    HE1  MET   1           HE1      MET   1  -2.182  -0.718  -3.200
    8    HE2  MET   1           HE2      MET   1  -1.155  -1.646  -2.107
    9    HE3  MET   1           HE3      MET   1  -0.955   0.101  -2.234
   10    H    ASP   2           H        ASP   2   1.732   2.919  -1.867
   11    HA   ASP   2           HA       ASP   2   2.602   4.981  -1.395
   12    HB2  ASP   2           HB2      ASP   2   3.333   5.252   0.703
   13    HB3  ASP   2           HB3      ASP   2   3.273   3.501   0.885
   14    H    GLU   3           H        GLU   3   4.986   2.370  -1.636
   15    HA   GLU   3           HA       GLU   3   6.970   2.208  -2.750
   16    HB2  GLU   3           HB2      GLU   3   5.111   2.623  -4.572
   17    HB3  GLU   3           HB3      GLU   3   5.960   4.147  -4.788
   18    HG2  GLU   3           HG2      GLU   3   7.686   1.780  -4.740
   19    HG3  GLU   3           HG3      GLU   3   6.552   1.847  -6.087
   20    H    THR   4           H        THR   4   7.626   3.657  -0.801
   21    HA   THR   4           HA       THR   4   8.703   5.509   0.051
   22    HB   THR   4           HB       THR   4  10.515   4.223  -0.978
   23    HG1  THR   4           HG1      THR   4  11.880   5.832  -0.640
   24   HG21  THR   4          HG21      THR   4  11.374   5.072  -3.222
   25   HG22  THR   4          HG22      THR   4   9.918   4.078  -3.258
   26   HG23  THR   4          HG23      THR   4   9.794   5.830  -3.419
   27    H    GLY   5           H        GLY   5   6.394   6.359  -1.242
   28    HA2  GLY   5           HA2      GLY   5   7.283   8.991  -2.195
   29    HA3  GLY   5           HA3      GLY   5   6.148   8.079  -3.179
   30    H    LYS   6           H        LYS   6   6.572   9.283   0.142
   31    HA   LYS   6           HA       LYS   6   3.658   9.506   0.383
   32    HB2  LYS   6           HB2      LYS   6   5.726   8.771   2.189
   33    HB3  LYS   6           HB3      LYS   6   5.013  10.266   2.783
   34    HG2  LYS   6           HG2      LYS   6   3.482   8.967   3.739
   35    HG3  LYS   6           HG3      LYS   6   2.810   8.773   2.118
   36    HD2  LYS   6           HD2      LYS   6   3.188   6.587   2.299
   37    HD3  LYS   6           HD3      LYS   6   4.918   6.938   2.283
   38    HE2  LYS   6           HE2      LYS   6   4.510   5.636   4.220
   39    HE3  LYS   6           HE3      LYS   6   4.751   7.293   4.771
   40    HZ1  LYS   6           HZ1      LYS   6   2.636   7.461   5.472
   41    HZ2  LYS   6           HZ2      LYS   6   2.007   6.539   4.200
   42    HZ3  LYS   6           HZ3      LYS   6   2.710   5.772   5.534
   43    H    GLU   7           H        GLU   7   2.774  11.398  -0.092
   44    HA   GLU   7           HA       GLU   7   4.232  13.852   0.618
   45    HB2  GLU   7           HB2      GLU   7   2.516  14.219  -1.688
   46    HB3  GLU   7           HB3      GLU   7   4.211  14.634  -1.478
   47    HG2  GLU   7           HG2      GLU   7   3.215  11.882  -2.169
   48    HG3  GLU   7           HG3      GLU   7   3.769  13.069  -3.348
   49    H    LEU   8           H        LEU   8   2.521  15.781   0.178
   50    HA   LEU   8           HA       LEU   8  -0.056  15.001   1.349
   51    HB2  LEU   8           HB2      LEU   8   2.031  16.498   2.627
   52    HB3  LEU   8           HB3      LEU   8   0.606  17.514   2.422
   53    HG   LEU   8           HG       LEU   8  -0.728  16.055   3.738
   54   HD11  LEU   8          HD11      LEU   8   0.304  13.972   4.727
   55   HD12  LEU   8          HD12      LEU   8  -0.081  13.908   3.007
   56   HD13  LEU   8          HD13      LEU   8   1.586  14.148   3.529
   57   HD21  LEU   8          HD21      LEU   8   0.741  15.850   5.846
   58   HD22  LEU   8          HD22      LEU   8   1.980  16.645   4.875
   59   HD23  LEU   8          HD23      LEU   8   0.443  17.455   5.179
   60    H    VAL   9           H        VAL   9  -1.801  16.330   0.829
   61    HA   VAL   9           HA       VAL   9  -1.352  18.645  -0.878
   62    HB   VAL   9           HB       VAL   9  -2.826  17.861  -2.654
   63   HG11  VAL   9          HG11      VAL   9  -0.452  17.507  -2.946
   64   HG12  VAL   9          HG12      VAL   9  -0.544  15.975  -2.077
   65   HG13  VAL   9          HG13      VAL   9  -1.343  16.152  -3.640
   66   HG21  VAL   9          HG21      VAL   9  -2.961  15.364  -0.985
   67   HG22  VAL   9          HG22      VAL   9  -4.289  16.362  -1.577
   68   HG23  VAL   9          HG23      VAL   9  -3.358  15.375  -2.704
   69    H    LEU  10           H        LEU  10  -3.475  19.715  -1.437
   70    HA   LEU  10           HA       LEU  10  -5.348  19.411   0.816
   71    HB2  LEU  10           HB2      LEU  10  -4.244  21.794  -0.579
   72    HB3  LEU  10           HB3      LEU  10  -5.888  21.884   0.049
   73    HG   LEU  10           HG       LEU  10  -4.018  22.792   1.519
   74   HD11  LEU  10          HD11      LEU  10  -5.226  20.913   3.306
   75   HD12  LEU  10          HD12      LEU  10  -5.560  22.632   3.102
   76   HD13  LEU  10          HD13      LEU  10  -6.412  21.446   2.114
   77   HD21  LEU  10          HD21      LEU  10  -2.438  20.954   1.158
   78   HD22  LEU  10          HD22      LEU  10  -2.812  21.166   2.868
   79   HD23  LEU  10          HD23      LEU  10  -3.549  19.845   1.961
   80    H    ALA  11           H        ALA  11  -7.523  19.348   0.422
   81    HA   ALA  11           HA       ALA  11  -8.367  18.483  -2.149
   82    HB1  ALA  11           HB1      ALA  11 -10.667  18.611  -1.112
   83    HB2  ALA  11           HB2      ALA  11  -9.502  17.579  -0.282
   84    HB3  ALA  11           HB3      ALA  11  -9.876  19.179   0.358
   85    H    LEU  12           H        LEU  12  -8.427  19.858  -3.814
   86    HA   LEU  12           HA       LEU  12  -9.020  22.650  -3.484
   87    HB2  LEU  12           HB2      LEU  12  -7.438  21.625  -5.184
   88    HB3  LEU  12           HB3      LEU  12  -8.876  21.133  -6.077
   89    HG   LEU  12           HG       LEU  12  -8.455  24.011  -5.370
   90   HD11  LEU  12          HD11      LEU  12  -6.432  22.849  -6.570
   91   HD12  LEU  12          HD12      LEU  12  -7.485  22.959  -7.980
   92   HD13  LEU  12          HD13      LEU  12  -7.023  24.421  -7.109
   93   HD21  LEU  12          HD21      LEU  12 -10.321  22.457  -6.901
   94   HD22  LEU  12          HD22      LEU  12 -10.370  24.169  -6.482
   95   HD23  LEU  12          HD23      LEU  12  -9.522  23.641  -7.935
   96    H    TYR  13           H        TYR  13 -10.778  19.781  -4.351
   97    HA   TYR  13           HA       TYR  13 -13.231  21.377  -4.499
   98    HB2  TYR  13           HB2      TYR  13 -12.747  21.025  -6.806
   99    HB3  TYR  13           HB3      TYR  13 -12.321  19.339  -6.531
  100    HD1  TYR  13           HD1      TYR  13 -15.288  21.409  -5.579
  101    HD2  TYR  13           HD2      TYR  13 -13.828  17.961  -7.600
  102    HE1  TYR  13           HE1      TYR  13 -17.598  20.746  -6.104
  103    HE2  TYR  13           HE2      TYR  13 -16.134  17.289  -8.132
  104    HH   TYR  13           HH       TYR  13 -18.283  17.813  -7.989
  105    H    ASP  14           H        ASP  14 -14.903  20.512  -3.419
  106    HA   ASP  14           HA       ASP  14 -14.512  18.340  -1.676
  107    HB2  ASP  14           HB2      ASP  14 -16.316  20.365  -1.814
  108    HB3  ASP  14           HB3      ASP  14 -17.306  19.014  -2.359
  109    H    TYR  15           H        TYR  15 -13.943  16.470  -2.727
  110    HA   TYR  15           HA       TYR  15 -15.753  15.411  -4.766
  111    HB2  TYR  15           HB2      TYR  15 -13.006  15.393  -4.576
  112    HB3  TYR  15           HB3      TYR  15 -13.435  13.770  -4.047
  113    HD1  TYR  15           HD1      TYR  15 -13.187  16.035  -6.859
  114    HD2  TYR  15           HD2      TYR  15 -14.720  12.278  -5.577
  115    HE1  TYR  15           HE1      TYR  15 -13.455  15.350  -9.206
  116    HE2  TYR  15           HE2      TYR  15 -14.991  11.582  -7.920
  117    HH   TYR  15           HH       TYR  15 -14.445  12.081 -10.064
  118    H    GLN  16           H        GLN  16 -17.139  13.800  -4.386
  119    HA   GLN  16           HA       GLN  16 -17.155  12.610  -1.710
  120    HB2  GLN  16           HB2      GLN  16 -19.180  13.674  -3.274
  121    HB3  GLN  16           HB3      GLN  16 -19.403  11.937  -3.439
  122    HG2  GLN  16           HG2      GLN  16 -20.210  11.742  -1.379
  123    HG3  GLN  16           HG3      GLN  16 -18.924  12.732  -0.692
  124   HE21  GLN  16          HE21      GLN  16 -19.410  14.707  -0.009
  125   HE22  GLN  16          HE22      GLN  16 -20.897  15.534  -0.308
  126    H    GLU  17           H        GLU  17 -16.511  11.860  -4.992
  127    HA   GLU  17           HA       GLU  17 -15.814   9.961  -6.034
  128    HB2  GLU  17           HB2      GLU  17 -15.620   8.742  -3.278
  129    HB3  GLU  17           HB3      GLU  17 -14.778   8.225  -4.732
  130    HG2  GLU  17           HG2      GLU  17 -14.372  10.856  -3.329
  131    HG3  GLU  17           HG3      GLU  17 -13.323   9.446  -3.187
  132    H    LYS  18           H        LYS  18 -16.352   7.548  -6.276
  133    HA   LYS  18           HA       LYS  18 -18.925   6.742  -5.234
  134    HB2  LYS  18           HB2      LYS  18 -18.790   8.127  -7.705
  135    HB3  LYS  18           HB3      LYS  18 -19.127   6.441  -8.076
  136    HG2  LYS  18           HG2      LYS  18 -21.259   6.970  -7.716
  137    HG3  LYS  18           HG3      LYS  18 -20.842   6.937  -6.001
  138    HD2  LYS  18           HD2      LYS  18 -21.927   8.999  -6.336
  139    HD3  LYS  18           HD3      LYS  18 -20.206   9.387  -6.269
  140    HE2  LYS  18           HE2      LYS  18 -20.079   9.769  -8.559
  141    HE3  LYS  18           HE3      LYS  18 -21.546   8.851  -8.893
  142    HZ1  LYS  18           HZ1      LYS  18 -21.679  11.373  -9.020
  143    HZ2  LYS  18           HZ2      LYS  18 -22.887  10.582  -8.138
  144    HZ3  LYS  18           HZ3      LYS  18 -21.619  11.358  -7.329
  145    H    SER  19           H        SER  19 -16.070   5.842  -5.401
  146    HA   SER  19           HA       SER  19 -16.655   3.080  -6.072
  147    HB2  SER  19           HB2      SER  19 -15.163   4.777  -7.850
  148    HB3  SER  19           HB3      SER  19 -14.104   3.520  -7.212
  149    HG   SER  19           HG       SER  19 -16.422   3.281  -8.772
  150    HA   PRO  20           HA       PRO  20 -14.022   2.219  -2.670
  151    HB2  PRO  20           HB2      PRO  20 -12.918  -0.151  -3.402
  152    HB3  PRO  20           HB3      PRO  20 -14.609   0.010  -2.912
  153    HG2  PRO  20           HG2      PRO  20 -13.440  -0.135  -5.664
  154    HG3  PRO  20           HG3      PRO  20 -14.886  -0.933  -5.019
  155    HD2  PRO  20           HD2      PRO  20 -15.013   1.303  -6.541
  156    HD3  PRO  20           HD3      PRO  20 -16.187   0.954  -5.256
  157    H    ARG  21           H        ARG  21 -12.625   2.281  -5.872
  158    HA   ARG  21           HA       ARG  21  -9.907   2.384  -4.840
  159    HB2  ARG  21           HB2      ARG  21  -9.187   2.022  -6.995
  160    HB3  ARG  21           HB3      ARG  21 -10.767   1.252  -7.054
  161    HG2  ARG  21           HG2      ARG  21 -11.586   3.569  -7.879
  162    HG3  ARG  21           HG3      ARG  21  -9.881   3.842  -8.244
  163    HD2  ARG  21           HD2      ARG  21  -9.916   2.451 -10.002
  164    HD3  ARG  21           HD3      ARG  21 -10.884   1.250  -9.149
  165    HE   ARG  21           HE       ARG  21 -11.841   3.341 -10.890
  166   HH11  ARG  21          HH11      ARG  21 -12.643   1.091  -8.358
  167   HH12  ARG  21          HH12      ARG  21 -14.336   1.079  -8.726
  168   HH21  ARG  21          HH21      ARG  21 -14.068   3.334 -11.385
  169   HH22  ARG  21          HH22      ARG  21 -15.145   2.355 -10.448
  170    H    GLU  22           H        GLU  22 -12.133   4.526  -4.569
  171    HA   GLU  22           HA       GLU  22 -10.541   6.790  -5.578
  172    HB2  GLU  22           HB2      GLU  22 -13.497   6.448  -5.163
  173    HB3  GLU  22           HB3      GLU  22 -12.775   8.050  -5.204
  174    HG2  GLU  22           HG2      GLU  22 -11.912   7.618  -7.439
  175    HG3  GLU  22           HG3      GLU  22 -12.606   5.998  -7.400
  176    H    VAL  23           H        VAL  23 -10.637   8.769  -4.229
  177    HA   VAL  23           HA       VAL  23 -10.808   8.115  -1.359
  178    HB   VAL  23           HB       VAL  23  -8.702   9.683  -2.826
  179   HG11  VAL  23          HG11      VAL  23  -9.755  10.126  -0.128
  180   HG12  VAL  23          HG12      VAL  23  -8.005   9.922  -0.204
  181   HG13  VAL  23          HG13      VAL  23  -8.788  11.182  -1.158
  182   HG21  VAL  23          HG21      VAL  23  -8.825   7.076  -1.890
  183   HG22  VAL  23          HG22      VAL  23  -7.372   7.955  -2.365
  184   HG23  VAL  23          HG23      VAL  23  -7.873   7.929  -0.674
  185    H    THR  24           H        THR  24 -12.472   9.180  -0.522
  186    HA   THR  24           HA       THR  24 -13.569  11.539  -1.697
  187    HB   THR  24           HB       THR  24 -14.140  10.261   0.984
  188    HG1  THR  24           HG1      THR  24 -15.270   8.917  -0.181
  189   HG21  THR  24          HG21      THR  24 -16.318  11.773  -0.100
  190   HG22  THR  24          HG22      THR  24 -15.494  11.968   1.447
  191   HG23  THR  24          HG23      THR  24 -14.890  12.802   0.016
  192    H    MET  25           H        MET  25 -13.033  13.593  -1.357
  193    HA   MET  25           HA       MET  25 -11.597  14.290   1.114
  194    HB2  MET  25           HB2      MET  25 -10.057  15.673  -0.068
  195    HB3  MET  25           HB3      MET  25 -10.060  14.109  -0.872
  196    HG2  MET  25           HG2      MET  25 -12.003  15.929  -2.014
  197    HG3  MET  25           HG3      MET  25 -10.365  16.578  -2.063
  198    HE1  MET  25           HE1      MET  25  -9.880  16.313  -4.941
  199    HE2  MET  25           HE2      MET  25  -8.805  16.204  -3.548
  200    HE3  MET  25           HE3      MET  25  -8.709  14.999  -4.832
  201    H    LYS  26           H        LYS  26 -11.888  16.436   1.856
  202    HA   LYS  26           HA       LYS  26 -14.289  17.741   0.756
  203    HB2  LYS  26           HB2      LYS  26 -13.617  16.941   3.413
  204    HB3  LYS  26           HB3      LYS  26 -13.714  18.697   3.374
  205    HG2  LYS  26           HG2      LYS  26 -15.918  17.466   1.958
  206    HG3  LYS  26           HG3      LYS  26 -15.821  16.928   3.636
  207    HD2  LYS  26           HD2      LYS  26 -15.411  19.801   3.310
  208    HD3  LYS  26           HD3      LYS  26 -16.997  19.252   2.763
  209    HE2  LYS  26           HE2      LYS  26 -16.854  17.918   5.077
  210    HE3  LYS  26           HE3      LYS  26 -15.823  19.289   5.483
  211    HZ1  LYS  26           HZ1      LYS  26 -18.585  19.210   5.499
  212    HZ2  LYS  26           HZ2      LYS  26 -17.599  20.567   5.721
  213    HZ3  LYS  26           HZ3      LYS  26 -18.170  20.179   4.176
  214    H    LYS  27           H        LYS  27 -14.064  19.700  -0.095
  215    HA   LYS  27           HA       LYS  27 -11.763  20.982  -0.684
  216    HB2  LYS  27           HB2      LYS  27 -14.106  21.607  -1.410
  217    HB3  LYS  27           HB3      LYS  27 -14.256  22.492   0.103
  218    HG2  LYS  27           HG2      LYS  27 -12.330  23.881  -0.546
  219    HG3  LYS  27           HG3      LYS  27 -12.257  23.022  -2.086
  220    HD2  LYS  27           HD2      LYS  27 -14.790  24.353  -1.198
  221    HD3  LYS  27           HD3      LYS  27 -13.505  25.288  -1.965
  222    HE2  LYS  27           HE2      LYS  27 -13.570  23.694  -3.872
  223    HE3  LYS  27           HE3      LYS  27 -14.955  22.907  -3.117
  224    HZ1  LYS  27           HZ1      LYS  27 -16.070  25.131  -3.192
  225    HZ2  LYS  27           HZ2      LYS  27 -14.798  25.675  -4.166
  226    HZ3  LYS  27           HZ3      LYS  27 -15.797  24.419  -4.702
  227    H    GLY  28           H        GLY  28 -10.119  21.361   0.672
  228    HA2  GLY  28           HA2      GLY  28  -9.140  22.960   2.180
  229    HA3  GLY  28           HA3      GLY  28 -10.677  23.036   3.029
  230    H    ASP  29           H        ASP  29  -9.424  19.957   2.058
  231    HA   ASP  29           HA       ASP  29  -8.772  19.383   4.874
  232    HB2  ASP  29           HB2      ASP  29  -9.880  17.565   2.728
  233    HB3  ASP  29           HB3      ASP  29  -9.326  17.003   4.302
  234    H    ILE  30           H        ILE  30  -7.383  17.183   4.860
  235    HA   ILE  30           HA       ILE  30  -5.200  17.522   2.916
  236    HB   ILE  30           HB       ILE  30  -5.073  17.929   5.770
  237   HG12  ILE  30          HG12      ILE  30  -4.081  19.256   3.800
  238   HG13  ILE  30          HG13      ILE  30  -3.084  19.064   5.237
  239   HG21  ILE  30          HG21      ILE  30  -4.466  15.607   5.938
  240   HG22  ILE  30          HG22      ILE  30  -3.288  15.781   4.636
  241   HG23  ILE  30          HG23      ILE  30  -3.025  16.594   6.179
  242   HD11  ILE  30          HD11      ILE  30  -2.756  17.006   3.161
  243   HD12  ILE  30          HD12      ILE  30  -2.209  18.630   2.745
  244   HD13  ILE  30          HD13      ILE  30  -1.554  17.815   4.166
  245    H    LEU  31           H        LEU  31  -4.273  15.673   2.169
  246    HA   LEU  31           HA       LEU  31  -5.136  13.130   3.368
  247    HB2  LEU  31           HB2      LEU  31  -4.858  12.545   0.699
  248    HB3  LEU  31           HB3      LEU  31  -6.380  12.765   1.562
  249    HG   LEU  31           HG       LEU  31  -5.028  15.128   0.327
  250   HD11  LEU  31          HD11      LEU  31  -5.318  13.059  -1.272
  251   HD12  LEU  31          HD12      LEU  31  -7.003  13.579  -1.270
  252   HD13  LEU  31          HD13      LEU  31  -5.739  14.688  -1.800
  253   HD21  LEU  31          HD21      LEU  31  -6.991  16.154   0.684
  254   HD22  LEU  31          HD22      LEU  31  -7.932  14.749   0.183
  255   HD23  LEU  31          HD23      LEU  31  -7.283  14.837   1.821
  256    H    THR  32           H        THR  32  -3.748  11.297   2.810
  257    HA   THR  32           HA       THR  32  -0.951  12.150   2.633
  258    HB   THR  32           HB       THR  32  -1.825   9.356   3.309
  259    HG1  THR  32           HG1      THR  32  -1.805  11.642   5.002
  260   HG21  THR  32          HG21      THR  32   0.497  10.975   4.345
  261   HG22  THR  32          HG22      THR  32   0.256   9.231   4.452
  262   HG23  THR  32          HG23      THR  32   0.590   9.981   2.891
  263    H    LEU  33           H        LEU  33  -0.131  12.130   0.643
  264    HA   LEU  33           HA       LEU  33  -1.173  10.690  -1.531
  265    HB2  LEU  33           HB2      LEU  33   1.277  12.261  -0.991
  266    HB3  LEU  33           HB3      LEU  33   1.324  11.157  -2.364
  267    HG   LEU  33           HG       LEU  33   0.714  13.558  -2.867
  268   HD11  LEU  33          HD11      LEU  33  -1.523  11.781  -3.709
  269   HD12  LEU  33          HD12      LEU  33  -0.568  12.922  -4.656
  270   HD13  LEU  33          HD13      LEU  33   0.125  11.371  -4.183
  271   HD21  LEU  33          HD21      LEU  33  -0.726  14.016  -0.991
  272   HD22  LEU  33          HD22      LEU  33  -1.657  14.155  -2.482
  273   HD23  LEU  33          HD23      LEU  33  -1.824  12.721  -1.469
  274    H    LEU  34           H        LEU  34  -0.518   8.816  -2.559
  275    HA   LEU  34           HA       LEU  34   1.310   7.091  -1.021
  276    HB2  LEU  34           HB2      LEU  34  -1.373   6.612  -2.131
  277    HB3  LEU  34           HB3      LEU  34  -0.202   5.322  -2.403
  278    HG   LEU  34           HG       LEU  34  -0.629   6.407   0.354
  279   HD11  LEU  34          HD11      LEU  34  -2.792   5.838   0.204
  280   HD12  LEU  34          HD12      LEU  34  -2.547   4.887  -1.261
  281   HD13  LEU  34          HD13      LEU  34  -2.186   4.186   0.316
  282   HD21  LEU  34          HD21      LEU  34  -0.114   3.958   0.839
  283   HD22  LEU  34          HD22      LEU  34   0.357   3.842  -0.857
  284   HD23  LEU  34          HD23      LEU  34   1.206   4.951   0.219
  285    H    ASN  35           H        ASN  35  -0.160   7.289  -4.269
  286    HA   ASN  35           HA       ASN  35   2.240   6.151  -5.441
  287    HB2  ASN  35           HB2      ASN  35   0.063   5.388  -6.254
  288    HB3  ASN  35           HB3      ASN  35  -0.359   7.035  -6.714
  289   HD21  ASN  35          HD21      ASN  35   2.690   5.301  -7.116
  290   HD22  ASN  35          HD22      ASN  35   2.717   5.391  -8.841
  291    H    SER  36           H        SER  36   0.238   8.933  -6.417
  292    HA   SER  36           HA       SER  36   0.783  11.030  -7.118
  293    HB2  SER  36           HB2      SER  36   2.856  10.361  -5.203
  294    HB3  SER  36           HB3      SER  36   3.480  11.411  -6.476
  295    HG   SER  36           HG       SER  36   2.576  12.926  -5.330
  296    H    THR  37           H        THR  37   1.555   8.433  -8.559
  297    HA   THR  37           HA       THR  37   3.623   9.472 -10.357
  298    HB   THR  37           HB       THR  37   2.400   6.708 -10.231
  299    HG1  THR  37           HG1      THR  37   3.811   7.397  -8.443
  300   HG21  THR  37          HG21      THR  37   3.317   6.387 -12.237
  301   HG22  THR  37          HG22      THR  37   4.001   8.013 -12.231
  302   HG23  THR  37          HG23      THR  37   4.900   6.675 -11.514
  303    H    ASN  38           H        ASN  38   0.252   8.514 -10.266
  304    HA   ASN  38           HA       ASN  38  -0.034   9.035 -13.130
  305    HB2  ASN  38           HB2      ASN  38  -1.115   7.020 -12.418
  306    HB3  ASN  38           HB3      ASN  38  -1.906   7.846 -11.079
  307   HD21  ASN  38          HD21      ASN  38  -1.560   8.746 -14.483
  308   HD22  ASN  38          HD22      ASN  38  -3.254   8.839 -14.810
  309    H    LYS  39           H        LYS  39  -0.056  11.202 -13.434
  310    HA   LYS  39           HA       LYS  39  -0.983  13.188 -11.785
  311    HB2  LYS  39           HB2      LYS  39   0.237  13.756 -13.764
  312    HB3  LYS  39           HB3      LYS  39  -0.986  13.032 -14.799
  313    HG2  LYS  39           HG2      LYS  39  -2.569  14.764 -14.183
  314    HG3  LYS  39           HG3      LYS  39  -1.388  15.472 -13.079
  315    HD2  LYS  39           HD2      LYS  39  -0.369  16.566 -14.737
  316    HD3  LYS  39           HD3      LYS  39  -0.305  15.120 -15.746
  317    HE2  LYS  39           HE2      LYS  39  -2.863  15.616 -16.060
  318    HE3  LYS  39           HE3      LYS  39  -2.388  17.249 -15.597
  319    HZ1  LYS  39           HZ1      LYS  39  -2.355  16.912 -18.007
  320    HZ2  LYS  39           HZ2      LYS  39  -0.820  17.296 -17.408
  321    HZ3  LYS  39           HZ3      LYS  39  -1.189  15.699 -17.828
  322    H    ASP  40           H        ASP  40  -2.840  11.499 -14.309
  323    HA   ASP  40           HA       ASP  40  -5.251  12.793 -14.092
  324    HB2  ASP  40           HB2      ASP  40  -5.058   9.797 -14.383
  325    HB3  ASP  40           HB3      ASP  40  -6.267  10.879 -15.066
  326    H    TRP  41           H        TRP  41  -4.079  10.088 -12.115
  327    HA   TRP  41           HA       TRP  41  -5.946  10.894 -10.013
  328    HB2  TRP  41           HB2      TRP  41  -5.799   8.165 -11.274
  329    HB3  TRP  41           HB3      TRP  41  -6.375   8.381  -9.623
  330    HD1  TRP  41           HD1      TRP  41  -7.376   8.989 -13.250
  331    HE1  TRP  41           HE1      TRP  41  -9.867   9.632 -13.329
  332    HE3  TRP  41           HE3      TRP  41  -8.239   9.510  -8.238
  333    HZ2  TRP  41           HZ2      TRP  41 -11.925  10.275 -11.508
  334    HZ3  TRP  41           HZ3      TRP  41 -10.496  10.142  -7.489
  335    HH2  TRP  41           HH2      TRP  41 -12.300  10.517  -9.092
  336    H    TRP  42           H        TRP  42  -4.784  11.225  -8.246
  337    HA   TRP  42           HA       TRP  42  -2.246   9.806  -7.911
  338    HB2  TRP  42           HB2      TRP  42  -3.398  12.310  -6.704
  339    HB3  TRP  42           HB3      TRP  42  -2.004  11.509  -5.984
  340    HD1  TRP  42           HD1      TRP  42  -0.804  10.736  -9.004
  341    HE1  TRP  42           HE1      TRP  42   0.449  12.607 -10.250
  342    HE3  TRP  42           HE3      TRP  42  -2.648  14.775  -6.470
  343    HZ2  TRP  42           HZ2      TRP  42   0.632  15.423 -10.169
  344    HZ3  TRP  42           HZ3      TRP  42  -1.883  17.023  -7.116
  345    HH2  TRP  42           HH2      TRP  42  -0.276  17.338  -8.927
  346    H    LYS  43           H        LYS  43  -2.462   7.914  -6.898
  347    HA   LYS  43           HA       LYS  43  -4.544   7.192  -5.172
  348    HB2  LYS  43           HB2      LYS  43  -3.196   5.516  -6.285
  349    HB3  LYS  43           HB3      LYS  43  -1.754   6.061  -5.441
  350    HG2  LYS  43           HG2      LYS  43  -3.383   5.484  -3.354
  351    HG3  LYS  43           HG3      LYS  43  -3.914   4.294  -4.544
  352    HD2  LYS  43           HD2      LYS  43  -0.999   4.598  -4.297
  353    HD3  LYS  43           HD3      LYS  43  -1.808   3.955  -2.866
  354    HE2  LYS  43           HE2      LYS  43  -1.110   2.142  -4.312
  355    HE3  LYS  43           HE3      LYS  43  -2.870   2.234  -4.267
  356    HZ1  LYS  43           HZ1      LYS  43  -2.807   3.423  -6.385
  357    HZ2  LYS  43           HZ2      LYS  43  -1.123   3.271  -6.433
  358    HZ3  LYS  43           HZ3      LYS  43  -2.099   1.891  -6.513
  359    H    VAL  44           H        VAL  44  -4.907   7.502  -3.064
  360    HA   VAL  44           HA       VAL  44  -2.700   8.284  -1.311
  361    HB   VAL  44           HB       VAL  44  -3.845  10.175  -0.390
  362   HG11  VAL  44          HG11      VAL  44  -2.650  10.228  -2.755
  363   HG12  VAL  44          HG12      VAL  44  -4.262  10.715  -3.280
  364   HG13  VAL  44          HG13      VAL  44  -3.408  11.662  -2.062
  365   HG21  VAL  44          HG21      VAL  44  -6.099   9.503  -2.280
  366   HG22  VAL  44          HG22      VAL  44  -6.127   9.371  -0.522
  367   HG23  VAL  44          HG23      VAL  44  -6.006  10.957  -1.285
  368    H    GLU  45           H        GLU  45  -3.530   8.442   1.027
  369    HA   GLU  45           HA       GLU  45  -5.546   6.341   1.483
  370    HB2  GLU  45           HB2      GLU  45  -3.441   5.371   2.024
  371    HB3  GLU  45           HB3      GLU  45  -2.920   6.812   2.885
  372    HG2  GLU  45           HG2      GLU  45  -4.400   6.384   4.682
  373    HG3  GLU  45           HG3      GLU  45  -5.235   5.121   3.780
  374    H    VAL  46           H        VAL  46  -7.216   6.919   2.704
  375    HA   VAL  46           HA       VAL  46  -6.893   9.059   4.678
  376    HB   VAL  46           HB       VAL  46  -9.177   9.941   3.939
  377   HG11  VAL  46          HG11      VAL  46  -8.183  11.572   2.629
  378   HG12  VAL  46          HG12      VAL  46  -6.813  10.923   3.530
  379   HG13  VAL  46          HG13      VAL  46  -7.083  10.429   1.859
  380   HG21  VAL  46          HG21      VAL  46  -8.430   8.694   1.305
  381   HG22  VAL  46          HG22      VAL  46  -9.564   7.940   2.426
  382   HG23  VAL  46          HG23      VAL  46  -9.925   9.524   1.739
  383    H    ASN  47           H        ASN  47  -7.770   8.518   6.565
  384    HA   ASN  47           HA       ASN  47  -8.744   7.138   8.126
  385    HB2  ASN  47           HB2      ASN  47 -11.315   6.997   7.636
  386    HB3  ASN  47           HB3      ASN  47 -10.573   8.557   7.981
  387   HD21  ASN  47          HD21      ASN  47 -11.846   6.479   5.481
  388   HD22  ASN  47          HD22      ASN  47 -12.084   7.719   4.301
  389    H    ASP  48           H        ASP  48  -7.444   5.308   7.194
  390    HA   ASP  48           HA       ASP  48  -7.227   3.197   6.317
  391    HB2  ASP  48           HB2      ASP  48  -9.714   3.158   7.996
  392    HB3  ASP  48           HB3      ASP  48  -9.189   1.698   7.162
  393    H    ARG  49           H        ARG  49  -8.379   5.034   4.457
  394    HA   ARG  49           HA       ARG  49  -9.765   3.114   2.748
  395    HB2  ARG  49           HB2      ARG  49 -11.034   5.390   3.987
  396    HB3  ARG  49           HB3      ARG  49 -11.039   5.567   2.237
  397    HG2  ARG  49           HG2      ARG  49 -11.914   3.003   3.498
  398    HG3  ARG  49           HG3      ARG  49 -13.014   4.379   3.398
  399    HD2  ARG  49           HD2      ARG  49 -11.719   3.997   0.873
  400    HD3  ARG  49           HD3      ARG  49 -12.428   2.474   1.407
  401    HE   ARG  49           HE       ARG  49 -14.444   4.187   1.812
  402   HH11  ARG  49          HH11      ARG  49 -12.339   3.695  -0.918
  403   HH12  ARG  49          HH12      ARG  49 -13.524   4.181  -2.085
  404   HH21  ARG  49          HH21      ARG  49 -16.012   4.830   0.285
  405   HH22  ARG  49          HH22      ARG  49 -15.612   4.828  -1.399
  406    H    GLN  50           H        GLN  50  -7.730   3.083   1.657
  407    HA   GLN  50           HA       GLN  50  -6.897   5.550   0.339
  408    HB2  GLN  50           HB2      GLN  50  -4.856   4.504  -0.115
  409    HB3  GLN  50           HB3      GLN  50  -5.299   3.875   1.466
  410    HG2  GLN  50           HG2      GLN  50  -4.889   1.869   0.606
  411    HG3  GLN  50           HG3      GLN  50  -6.428   2.051  -0.235
  412   HE21  GLN  50          HE21      GLN  50  -2.966   2.655  -0.536
  413   HE22  GLN  50          HE22      GLN  50  -2.903   2.486  -2.254
  414    H    GLY  51           H        GLY  51  -6.714   5.756  -1.914
  415    HA2  GLY  51           HA2      GLY  51  -7.563   3.679  -3.695
  416    HA3  GLY  51           HA3      GLY  51  -8.809   4.896  -3.462
  417    H    PHE  52           H        PHE  52  -8.786   6.586  -4.785
  418    HA   PHE  52           HA       PHE  52  -6.255   7.511  -5.909
  419    HB2  PHE  52           HB2      PHE  52  -8.566   6.425  -7.483
  420    HB3  PHE  52           HB3      PHE  52  -7.549   7.686  -8.173
  421    HD1  PHE  52           HD1      PHE  52  -7.983   4.221  -7.784
  422    HD2  PHE  52           HD2      PHE  52  -4.979   7.220  -8.095
  423    HE1  PHE  52           HE1      PHE  52  -6.357   2.514  -8.491
  424    HE2  PHE  52           HE2      PHE  52  -3.349   5.518  -8.803
  425    HZ   PHE  52           HZ       PHE  52  -4.037   3.162  -9.002
  426    H    VAL  53           H        VAL  53  -6.133   9.654  -5.836
  427    HA   VAL  53           HA       VAL  53  -8.634  11.181  -5.530
  428    HB   VAL  53           HB       VAL  53  -6.359  11.162  -3.911
  429   HG11  VAL  53          HG11      VAL  53  -5.239  12.567  -5.608
  430   HG12  VAL  53          HG12      VAL  53  -6.510  13.774  -5.411
  431   HG13  VAL  53          HG13      VAL  53  -5.441  13.391  -4.061
  432   HG21  VAL  53          HG21      VAL  53  -7.770  12.207  -2.527
  433   HG22  VAL  53          HG22      VAL  53  -8.010  13.548  -3.647
  434   HG23  VAL  53          HG23      VAL  53  -8.954  12.069  -3.826
  435    HA   PRO  54           HA       PRO  54  -7.821  13.142  -9.395
  436    HB2  PRO  54           HB2      PRO  54  -9.382  15.338  -9.062
  437    HB3  PRO  54           HB3      PRO  54 -10.042  13.730  -9.383
  438    HG2  PRO  54           HG2      PRO  54  -9.778  15.185  -6.780
  439    HG3  PRO  54           HG3      PRO  54 -11.140  14.231  -7.395
  440    HD2  PRO  54           HD2      PRO  54  -9.367  13.249  -5.600
  441    HD3  PRO  54           HD3      PRO  54 -10.161  12.226  -6.814
  442    H    ALA  55           H        ALA  55  -5.945  14.105  -9.836
  443    HA   ALA  55           HA       ALA  55  -4.527  15.771  -8.072
  444    HB1  ALA  55           HB1      ALA  55  -3.491  14.454  -9.887
  445    HB2  ALA  55           HB2      ALA  55  -4.191  15.568 -11.061
  446    HB3  ALA  55           HB3      ALA  55  -2.997  16.147  -9.900
  447    H    ALA  56           H        ALA  56  -6.198  16.617 -11.111
  448    HA   ALA  56           HA       ALA  56  -5.858  19.336 -11.094
  449    HB1  ALA  56           HB1      ALA  56  -8.350  17.856 -11.929
  450    HB2  ALA  56           HB2      ALA  56  -7.906  19.492 -12.414
  451    HB3  ALA  56           HB3      ALA  56  -6.921  18.122 -12.927
  452    H    TYR  57           H        TYR  57  -8.082  17.427  -9.168
  453    HA   TYR  57           HA       TYR  57  -9.288  19.839  -8.043
  454    HB2  TYR  57           HB2      TYR  57  -9.940  16.905  -7.765
  455    HB3  TYR  57           HB3      TYR  57 -10.735  18.155  -6.814
  456    HD1  TYR  57           HD1      TYR  57 -11.198  16.133  -9.525
  457    HD2  TYR  57           HD2      TYR  57 -11.481  20.244  -8.467
  458    HE1  TYR  57           HE1      TYR  57 -12.812  16.484 -11.348
  459    HE2  TYR  57           HE2      TYR  57 -13.096  20.607 -10.287
  460    HH   TYR  57           HH       TYR  57 -14.634  19.380 -11.656
  461    H    VAL  58           H        VAL  58  -6.572  19.479  -7.463
  462    HA   VAL  58           HA       VAL  58  -6.706  19.346  -4.560
  463    HB   VAL  58           HB       VAL  58  -5.896  17.084  -5.809
  464   HG11  VAL  58          HG11      VAL  58  -3.307  18.430  -5.102
  465   HG12  VAL  58          HG12      VAL  58  -3.563  16.915  -5.969
  466   HG13  VAL  58          HG13      VAL  58  -3.952  18.451  -6.743
  467   HG21  VAL  58          HG21      VAL  58  -4.691  18.086  -3.234
  468   HG22  VAL  58          HG22      VAL  58  -6.342  17.484  -3.386
  469   HG23  VAL  58          HG23      VAL  58  -4.979  16.410  -3.702
  470    H    LYS  59           H        LYS  59  -4.519  19.984  -3.602
  471    HA   LYS  59           HA       LYS  59  -2.818  21.587  -5.297
  472    HB2  LYS  59           HB2      LYS  59  -4.983  22.779  -3.764
  473    HB3  LYS  59           HB3      LYS  59  -3.417  23.427  -3.296
  474    HG2  LYS  59           HG2      LYS  59  -3.540  23.307  -6.138
  475    HG3  LYS  59           HG3      LYS  59  -4.996  24.100  -5.534
  476    HD2  LYS  59           HD2      LYS  59  -2.185  24.843  -4.729
  477    HD3  LYS  59           HD3      LYS  59  -3.116  25.665  -5.983
  478    HE2  LYS  59           HE2      LYS  59  -3.826  25.448  -3.060
  479    HE3  LYS  59           HE3      LYS  59  -3.263  26.892  -3.900
  480    HZ1  LYS  59           HZ1      LYS  59  -5.545  27.163  -3.822
  481    HZ2  LYS  59           HZ2      LYS  59  -5.313  26.521  -5.370
  482    HZ3  LYS  59           HZ3      LYS  59  -5.869  25.529  -4.118
  483    H    LYS  60           H        LYS  60  -0.865  21.014  -4.628
  484    HA   LYS  60           HA       LYS  60  -0.312  19.873  -2.108
  485    HB2  LYS  60           HB2      LYS  60   0.989  19.811  -4.412
  486    HB3  LYS  60           HB3      LYS  60   1.857  21.166  -3.702
  487    HG2  LYS  60           HG2      LYS  60   1.583  18.431  -2.471
  488    HG3  LYS  60           HG3      LYS  60   3.002  19.039  -3.328
  489    HD2  LYS  60           HD2      LYS  60   2.668  21.008  -1.523
  490    HD3  LYS  60           HD3      LYS  60   2.016  19.645  -0.610
  491    HE2  LYS  60           HE2      LYS  60   4.536  19.093  -2.008
  492    HE3  LYS  60           HE3      LYS  60   4.652  20.317  -0.745
  493    HZ1  LYS  60           HZ1      LYS  60   3.144  18.005   0.049
  494    HZ2  LYS  60           HZ2      LYS  60   4.746  17.638  -0.353
  495    HZ3  LYS  60           HZ3      LYS  60   4.416  18.790   0.842
  496    H    LEU  61           H        LEU  61  -1.008  21.253  -0.477
  497    HA   LEU  61           HA       LEU  61   0.516  23.759  -0.196
  498    HB2  LEU  61           HB2      LEU  61  -2.130  23.077   1.072
  499    HB3  LEU  61           HB3      LEU  61  -1.294  24.627   1.136
  500    HG   LEU  61           HG       LEU  61  -2.290  23.434  -1.441
  501   HD11  LEU  61          HD11      LEU  61  -3.809  24.610   0.735
  502   HD12  LEU  61          HD12      LEU  61  -3.995  25.499  -0.777
  503   HD13  LEU  61          HD13      LEU  61  -4.366  23.776  -0.715
  504   HD21  LEU  61          HD21      LEU  61  -0.936  25.112  -2.122
  505   HD22  LEU  61          HD22      LEU  61  -2.351  26.096  -1.749
  506   HD23  LEU  61          HD23      LEU  61  -1.034  25.967  -0.583
  507    H    ASP  62           H        ASP  62   1.881  21.604   0.563
  508    HA   ASP  62           HA       ASP  62   2.959  20.577   2.288
  509    HB2  ASP  62           HB2      ASP  62   2.333  23.307   3.218
  510    HB3  ASP  62           HB3      ASP  62   2.734  22.158   4.491
  Start of MODEL   10
    1    H1   MET   1           H        MET   1   2.388   0.010  -3.186
    2    HA   MET   1           HA       MET   1   0.677   2.133  -3.858
    3    HB2  MET   1           HB2      MET   1   1.098   0.990  -1.095
    4    HB3  MET   1           HB3      MET   1  -0.339   1.802  -1.701
    5    HG2  MET   1           HG2      MET   1  -0.270  -0.161  -3.464
    6    HG3  MET   1           HG3      MET   1   0.624  -0.961  -2.173
    7    HE1  MET   1           HE1      MET   1  -0.748  -2.776  -1.716
    8    HE2  MET   1           HE2      MET   1  -2.400  -2.785  -1.100
    9    HE3  MET   1           HE3      MET   1  -2.102  -2.548  -2.822
   10    H    ASP   2           H        ASP   2   2.598   2.045  -0.868
   11    HA   ASP   2           HA       ASP   2   2.975   4.947  -1.126
   12    HB2  ASP   2           HB2      ASP   2   1.838   4.157   0.921
   13    HB3  ASP   2           HB3      ASP   2   3.255   3.190   1.321
   14    H    GLU   3           H        GLU   3   4.627   3.701  -2.775
   15    HA   GLU   3           HA       GLU   3   7.229   4.048  -1.489
   16    HB2  GLU   3           HB2      GLU   3   6.221   1.515  -2.082
   17    HB3  GLU   3           HB3      GLU   3   7.317   1.872  -3.410
   18    HG2  GLU   3           HG2      GLU   3   8.952   2.562  -1.502
   19    HG3  GLU   3           HG3      GLU   3   7.899   1.559  -0.505
   20    H    THR   4           H        THR   4   5.788   5.781  -3.198
   21    HA   THR   4           HA       THR   4   7.695   5.952  -5.408
   22    HB   THR   4           HB       THR   4   4.897   6.633  -6.120
   23    HG1  THR   4           HG1      THR   4   4.181   4.662  -5.895
   24   HG21  THR   4          HG21      THR   4   6.204   6.959  -7.949
   25   HG22  THR   4          HG22      THR   4   7.402   5.769  -7.440
   26   HG23  THR   4          HG23      THR   4   5.894   5.239  -8.186
   27    H    GLY   5           H        GLY   5   7.453   7.416  -2.941
   28    HA2  GLY   5           HA2      GLY   5   8.061   9.703  -2.658
   29    HA3  GLY   5           HA3      GLY   5   7.120  10.098  -4.089
   30    H    LYS   6           H        LYS   6   7.098   9.723  -0.674
   31    HA   LYS   6           HA       LYS   6   4.203   9.981  -0.488
   32    HB2  LYS   6           HB2      LYS   6   4.552   9.783   1.934
   33    HB3  LYS   6           HB3      LYS   6   5.322   8.463   1.064
   34    HG2  LYS   6           HG2      LYS   6   7.356  10.253   1.212
   35    HG3  LYS   6           HG3      LYS   6   6.498  10.574   2.720
   36    HD2  LYS   6           HD2      LYS   6   6.584   8.150   3.231
   37    HD3  LYS   6           HD3      LYS   6   7.544   7.907   1.770
   38    HE2  LYS   6           HE2      LYS   6   9.237   9.472   2.683
   39    HE3  LYS   6           HE3      LYS   6   8.295   9.576   4.169
   40    HZ1  LYS   6           HZ1      LYS   6   8.635   7.247   4.553
   41    HZ2  LYS   6           HZ2      LYS   6   9.426   7.060   3.069
   42    HZ3  LYS   6           HZ3      LYS   6  10.141   7.976   4.299
   43    H    GLU   7           H        GLU   7   3.187  11.863  -0.280
   44    HA   GLU   7           HA       GLU   7   4.542  14.132   0.949
   45    HB2  GLU   7           HB2      GLU   7   3.912  15.639  -0.906
   46    HB3  GLU   7           HB3      GLU   7   5.077  14.417  -1.396
   47    HG2  GLU   7           HG2      GLU   7   2.643  13.242  -1.942
   48    HG3  GLU   7           HG3      GLU   7   2.399  14.934  -2.375
   49    H    LEU   8           H        LEU   8   2.756  16.107   0.530
   50    HA   LEU   8           HA       LEU   8   0.169  15.015   1.411
   51    HB2  LEU   8           HB2      LEU   8   2.008  16.585   2.917
   52    HB3  LEU   8           HB3      LEU   8   0.569  17.554   2.608
   53    HG   LEU   8           HG       LEU   8  -0.826  15.958   3.716
   54   HD11  LEU   8          HD11      LEU   8   0.240  13.944   4.802
   55   HD12  LEU   8          HD12      LEU   8   0.074  13.879   3.048
   56   HD13  LEU   8          HD13      LEU   8   1.640  14.240   3.773
   57   HD21  LEU   8          HD21      LEU   8  -0.029  17.352   5.351
   58   HD22  LEU   8          HD22      LEU   8   0.514  15.792   5.967
   59   HD23  LEU   8          HD23      LEU   8   1.645  16.848   5.121
   60    H    VAL   9           H        VAL   9  -1.668  16.284   0.924
   61    HA   VAL   9           HA       VAL   9  -1.292  18.619  -0.785
   62    HB   VAL   9           HB       VAL   9  -2.717  17.798  -2.551
   63   HG11  VAL   9          HG11      VAL   9  -0.473  15.906  -1.868
   64   HG12  VAL   9          HG12      VAL   9  -1.286  15.955  -3.432
   65   HG13  VAL   9          HG13      VAL   9  -0.384  17.359  -2.863
   66   HG21  VAL   9          HG21      VAL   9  -4.241  16.380  -1.435
   67   HG22  VAL   9          HG22      VAL   9  -3.348  15.342  -2.546
   68   HG23  VAL   9          HG23      VAL   9  -2.950  15.344  -0.827
   69    H    LEU  10           H        LEU  10  -3.423  19.663  -1.305
   70    HA   LEU  10           HA       LEU  10  -5.298  19.299   0.940
   71    HB2  LEU  10           HB2      LEU  10  -4.204  21.742  -0.370
   72    HB3  LEU  10           HB3      LEU  10  -5.828  21.795   0.312
   73    HG   LEU  10           HG       LEU  10  -4.042  22.676   1.811
   74   HD11  LEU  10          HD11      LEU  10  -6.277  21.409   2.460
   75   HD12  LEU  10          HD12      LEU  10  -5.130  20.277   3.175
   76   HD13  LEU  10          HD13      LEU  10  -5.130  21.967   3.678
   77   HD21  LEU  10          HD21      LEU  10  -2.502  21.180   2.869
   78   HD22  LEU  10          HD22      LEU  10  -3.201  19.791   2.037
   79   HD23  LEU  10          HD23      LEU  10  -2.317  21.014   1.123
   80    H    ALA  11           H        ALA  11  -7.475  19.289   0.525
   81    HA   ALA  11           HA       ALA  11  -8.309  18.497  -2.066
   82    HB1  ALA  11           HB1      ALA  11 -10.647  19.007  -0.867
   83    HB2  ALA  11           HB2      ALA  11  -9.698  17.555  -0.548
   84    HB3  ALA  11           HB3      ALA  11  -9.606  18.928   0.555
   85    H    LEU  12           H        LEU  12  -8.387  19.858  -3.733
   86    HA   LEU  12           HA       LEU  12  -8.875  22.675  -3.379
   87    HB2  LEU  12           HB2      LEU  12  -7.302  21.670  -5.068
   88    HB3  LEU  12           HB3      LEU  12  -8.724  21.138  -5.963
   89    HG   LEU  12           HG       LEU  12  -7.574  23.256  -6.766
   90   HD11  LEU  12          HD11      LEU  12 -10.203  22.453  -6.809
   91   HD12  LEU  12          HD12      LEU  12 -10.302  24.122  -6.249
   92   HD13  LEU  12          HD13      LEU  12  -9.499  23.750  -7.774
   93   HD21  LEU  12          HD21      LEU  12  -9.102  24.755  -4.721
   94   HD22  LEU  12          HD22      LEU  12  -7.575  24.033  -4.215
   95   HD23  LEU  12          HD23      LEU  12  -7.608  25.175  -5.558
   96    H    TYR  13           H        TYR  13 -10.698  19.864  -4.327
   97    HA   TYR  13           HA       TYR  13 -13.116  21.512  -4.415
   98    HB2  TYR  13           HB2      TYR  13 -12.609  21.273  -6.738
   99    HB3  TYR  13           HB3      TYR  13 -12.249  19.561  -6.550
  100    HD1  TYR  13           HD1      TYR  13 -15.143  21.700  -5.525
  101    HD2  TYR  13           HD2      TYR  13 -13.801  18.289  -7.685
  102    HE1  TYR  13           HE1      TYR  13 -17.471  21.155  -6.099
  103    HE2  TYR  13           HE2      TYR  13 -16.125  17.735  -8.266
  104    HH   TYR  13           HH       TYR  13 -18.369  19.210  -8.486
  105    H    ASP  14           H        ASP  14 -14.843  20.600  -3.446
  106    HA   ASP  14           HA       ASP  14 -14.508  18.368  -1.776
  107    HB2  ASP  14           HB2      ASP  14 -17.129  19.542  -2.724
  108    HB3  ASP  14           HB3      ASP  14 -16.864  18.590  -1.266
  109    H    TYR  15           H        TYR  15 -14.073  16.418  -2.619
  110    HA   TYR  15           HA       TYR  15 -15.774  15.441  -4.813
  111    HB2  TYR  15           HB2      TYR  15 -13.026  15.494  -4.652
  112    HB3  TYR  15           HB3      TYR  15 -13.403  13.845  -4.167
  113    HD1  TYR  15           HD1      TYR  15 -13.989  16.336  -6.864
  114    HD2  TYR  15           HD2      TYR  15 -13.924  12.223  -5.776
  115    HE1  TYR  15           HE1      TYR  15 -14.266  15.713  -9.227
  116    HE2  TYR  15           HE2      TYR  15 -14.199  11.589  -8.136
  117    HH   TYR  15           HH       TYR  15 -14.014  12.396 -10.294
  118    H    GLN  16           H        GLN  16 -17.260  13.983  -4.317
  119    HA   GLN  16           HA       GLN  16 -17.103  12.598  -1.750
  120    HB2  GLN  16           HB2      GLN  16 -19.316  13.152  -3.698
  121    HB3  GLN  16           HB3      GLN  16 -19.492  11.878  -2.499
  122    HG2  GLN  16           HG2      GLN  16 -20.492  13.984  -1.767
  123    HG3  GLN  16           HG3      GLN  16 -19.181  13.466  -0.708
  124   HE21  GLN  16          HE21      GLN  16 -19.329  15.234  -3.783
  125   HE22  GLN  16          HE22      GLN  16 -18.400  16.587  -3.245
  126    H    GLU  17           H        GLU  17 -15.711  11.962  -4.462
  127    HA   GLU  17           HA       GLU  17 -15.226  10.130  -5.752
  128    HB2  GLU  17           HB2      GLU  17 -14.522   8.234  -4.493
  129    HB3  GLU  17           HB3      GLU  17 -14.201   9.652  -3.505
  130    HG2  GLU  17           HG2      GLU  17 -16.023   9.202  -2.084
  131    HG3  GLU  17           HG3      GLU  17 -16.692   8.008  -3.195
  132    H    LYS  18           H        LYS  18 -15.978   7.430  -5.460
  133    HA   LYS  18           HA       LYS  18 -18.771   7.062  -5.291
  134    HB2  LYS  18           HB2      LYS  18 -17.753   8.077  -7.816
  135    HB3  LYS  18           HB3      LYS  18 -18.548   6.521  -8.017
  136    HG2  LYS  18           HG2      LYS  18 -20.566   7.414  -7.765
  137    HG3  LYS  18           HG3      LYS  18 -20.076   8.310  -6.326
  138    HD2  LYS  18           HD2      LYS  18 -19.298  10.131  -7.597
  139    HD3  LYS  18           HD3      LYS  18 -19.302   9.194  -9.093
  140    HE2  LYS  18           HE2      LYS  18 -21.871   9.563  -7.634
  141    HE3  LYS  18           HE3      LYS  18 -21.217  10.926  -8.540
  142    HZ1  LYS  18           HZ1      LYS  18 -22.217  10.006 -10.286
  143    HZ2  LYS  18           HZ2      LYS  18 -20.989   8.842 -10.267
  144    HZ3  LYS  18           HZ3      LYS  18 -22.464   8.529  -9.499
  145    H    SER  19           H        SER  19 -15.779   6.014  -6.861
  146    HA   SER  19           HA       SER  19 -16.625   3.225  -6.704
  147    HB2  SER  19           HB2      SER  19 -14.881   4.716  -8.413
  148    HB3  SER  19           HB3      SER  19 -13.946   3.437  -7.637
  149    HG   SER  19           HG       SER  19 -16.451   2.952  -8.857
  150    HA   PRO  20           HA       PRO  20 -14.310   2.133  -3.143
  151    HB2  PRO  20           HB2      PRO  20 -13.196  -0.243  -3.841
  152    HB3  PRO  20           HB3      PRO  20 -14.923  -0.050  -3.515
  153    HG2  PRO  20           HG2      PRO  20 -13.491  -0.143  -6.142
  154    HG3  PRO  20           HG3      PRO  20 -15.013  -0.921  -5.669
  155    HD2  PRO  20           HD2      PRO  20 -14.934   1.364  -7.120
  156    HD3  PRO  20           HD3      PRO  20 -16.238   1.008  -5.969
  157    H    ARG  21           H        ARG  21 -12.606   2.276  -6.186
  158    HA   ARG  21           HA       ARG  21 -10.004   2.295  -4.872
  159    HB2  ARG  21           HB2      ARG  21  -9.060   1.943  -6.947
  160    HB3  ARG  21           HB3      ARG  21 -10.623   1.166  -7.155
  161    HG2  ARG  21           HG2      ARG  21 -11.410   3.390  -8.122
  162    HG3  ARG  21           HG3      ARG  21  -9.699   3.816  -8.207
  163    HD2  ARG  21           HD2      ARG  21 -10.564   2.878 -10.321
  164    HD3  ARG  21           HD3      ARG  21  -9.254   1.921  -9.630
  165    HE   ARG  21           HE       ARG  21 -10.712   0.175  -9.370
  166   HH11  ARG  21          HH11      ARG  21 -12.516   3.095  -9.954
  167   HH12  ARG  21          HH12      ARG  21 -14.035   2.279 -10.117
  168   HH21  ARG  21          HH21      ARG  21 -12.706  -0.911  -9.583
  169   HH22  ARG  21          HH22      ARG  21 -14.143   0.000  -9.905
  170    H    GLU  22           H        GLU  22 -12.187   4.474  -4.793
  171    HA   GLU  22           HA       GLU  22 -10.499   6.713  -5.691
  172    HB2  GLU  22           HB2      GLU  22 -13.471   6.396  -5.436
  173    HB3  GLU  22           HB3      GLU  22 -12.747   7.997  -5.378
  174    HG2  GLU  22           HG2      GLU  22 -11.681   7.523  -7.576
  175    HG3  GLU  22           HG3      GLU  22 -12.595   6.017  -7.636
  176    H    VAL  23           H        VAL  23 -10.652   8.697  -4.338
  177    HA   VAL  23           HA       VAL  23 -10.875   8.005  -1.480
  178    HB   VAL  23           HB       VAL  23  -8.793   9.585  -2.937
  179   HG11  VAL  23          HG11      VAL  23  -9.901  10.170  -0.248
  180   HG12  VAL  23          HG12      VAL  23  -8.149  10.233  -0.442
  181   HG13  VAL  23          HG13      VAL  23  -9.184  11.254  -1.440
  182   HG21  VAL  23          HG21      VAL  23  -7.934   8.153  -0.603
  183   HG22  VAL  23          HG22      VAL  23  -8.907   7.102  -1.632
  184   HG23  VAL  23          HG23      VAL  23  -7.484   7.909  -2.290
  185    H    THR  24           H        THR  24 -12.133   9.264  -0.250
  186    HA   THR  24           HA       THR  24 -13.555  11.454  -1.525
  187    HB   THR  24           HB       THR  24 -13.967  10.511   1.306
  188    HG1  THR  24           HG1      THR  24 -14.476   8.654   0.406
  189   HG21  THR  24          HG21      THR  24 -15.052  12.617   0.091
  190   HG22  THR  24          HG22      THR  24 -16.155  11.377  -0.507
  191   HG23  THR  24          HG23      THR  24 -15.960  11.621   1.229
  192    H    MET  25           H        MET  25 -12.940  13.499  -1.343
  193    HA   MET  25           HA       MET  25 -11.477  14.323   1.074
  194    HB2  MET  25           HB2      MET  25  -9.971  15.645  -0.185
  195    HB3  MET  25           HB3      MET  25 -10.027  14.086  -0.996
  196    HG2  MET  25           HG2      MET  25 -12.016  15.862  -2.073
  197    HG3  MET  25           HG3      MET  25 -10.418  16.602  -2.123
  198    HE1  MET  25           HE1      MET  25  -8.719  16.204  -3.480
  199    HE2  MET  25           HE2      MET  25  -8.570  15.040  -4.797
  200    HE3  MET  25           HE3      MET  25  -9.698  16.388  -4.935
  201    H    LYS  26           H        LYS  26 -11.737  16.534   1.691
  202    HA   LYS  26           HA       LYS  26 -14.164  17.783   0.578
  203    HB2  LYS  26           HB2      LYS  26 -13.320  17.268   3.370
  204    HB3  LYS  26           HB3      LYS  26 -14.062  18.832   3.062
  205    HG2  LYS  26           HG2      LYS  26 -15.771  17.145   1.775
  206    HG3  LYS  26           HG3      LYS  26 -15.255  16.166   3.151
  207    HD2  LYS  26           HD2      LYS  26 -16.848  17.259   4.288
  208    HD3  LYS  26           HD3      LYS  26 -15.709  18.607   4.308
  209    HE2  LYS  26           HE2      LYS  26 -16.805  19.730   2.620
  210    HE3  LYS  26           HE3      LYS  26 -17.522  18.259   1.964
  211    HZ1  LYS  26           HZ1      LYS  26 -18.760  18.249   4.234
  212    HZ2  LYS  26           HZ2      LYS  26 -18.403  19.903   4.232
  213    HZ3  LYS  26           HZ3      LYS  26 -19.314  19.232   2.973
  214    H    LYS  27           H        LYS  27 -13.953  19.783  -0.193
  215    HA   LYS  27           HA       LYS  27 -11.645  21.074  -0.732
  216    HB2  LYS  27           HB2      LYS  27 -13.965  21.727  -1.474
  217    HB3  LYS  27           HB3      LYS  27 -14.154  22.552   0.068
  218    HG2  LYS  27           HG2      LYS  27 -12.207  23.965  -0.490
  219    HG3  LYS  27           HG3      LYS  27 -12.131  23.183  -2.071
  220    HD2  LYS  27           HD2      LYS  27 -13.715  24.528  -2.867
  221    HD3  LYS  27           HD3      LYS  27 -14.805  24.095  -1.547
  222    HE2  LYS  27           HE2      LYS  27 -13.975  25.824  -0.169
  223    HE3  LYS  27           HE3      LYS  27 -12.584  26.095  -1.217
  224    HZ1  LYS  27           HZ1      LYS  27 -13.817  27.729  -2.070
  225    HZ2  LYS  27           HZ2      LYS  27 -14.676  26.513  -2.874
  226    HZ3  LYS  27           HZ3      LYS  27 -15.259  27.136  -1.413
  227    H    GLY  28           H        GLY  28 -10.021  21.326   0.694
  228    HA2  GLY  28           HA2      GLY  28  -9.014  22.865   2.242
  229    HA3  GLY  28           HA3      GLY  28 -10.571  23.016   3.042
  230    H    ASP  29           H        ASP  29  -9.056  19.992   2.063
  231    HA   ASP  29           HA       ASP  29  -8.549  19.371   4.893
  232    HB2  ASP  29           HB2      ASP  29  -9.844  17.515   4.893
  233    HB3  ASP  29           HB3      ASP  29 -10.667  18.312   3.555
  234    H    ILE  30           H        ILE  30  -6.931  17.765   5.268
  235    HA   ILE  30           HA       ILE  30  -4.926  17.706   3.137
  236    HB   ILE  30           HB       ILE  30  -4.325  18.515   5.445
  237   HG12  ILE  30          HG12      ILE  30  -2.230  16.976   5.542
  238   HG13  ILE  30          HG13      ILE  30  -2.894  16.251   4.082
  239   HG21  ILE  30          HG21      ILE  30  -3.924  16.832   7.175
  240   HG22  ILE  30          HG22      ILE  30  -5.628  16.902   6.725
  241   HG23  ILE  30          HG23      ILE  30  -4.611  15.592   6.127
  242   HD11  ILE  30          HD11      ILE  30  -2.866  19.123   3.888
  243   HD12  ILE  30          HD12      ILE  30  -1.262  18.486   4.255
  244   HD13  ILE  30          HD13      ILE  30  -2.136  17.912   2.834
  245    H    LEU  31           H        LEU  31  -4.037  15.829   2.344
  246    HA   LEU  31           HA       LEU  31  -5.196  13.294   3.278
  247    HB2  LEU  31           HB2      LEU  31  -4.660  13.779   0.374
  248    HB3  LEU  31           HB3      LEU  31  -5.685  12.558   1.126
  249    HG   LEU  31           HG       LEU  31  -6.430  15.445   1.335
  250   HD11  LEU  31          HD11      LEU  31  -7.568  13.926  -0.920
  251   HD12  LEU  31          HD12      LEU  31  -7.178  15.641  -0.782
  252   HD13  LEU  31          HD13      LEU  31  -5.902  14.470  -1.113
  253   HD21  LEU  31          HD21      LEU  31  -8.041  12.902   1.135
  254   HD22  LEU  31          HD22      LEU  31  -7.644  13.747   2.631
  255   HD23  LEU  31          HD23      LEU  31  -8.673  14.522   1.427
  256    H    THR  32           H        THR  32  -3.916  11.411   2.819
  257    HA   THR  32           HA       THR  32  -1.056  12.032   2.771
  258    HB   THR  32           HB       THR  32  -2.164   9.299   3.330
  259    HG1  THR  32           HG1      THR  32  -3.319  10.567   4.751
  260   HG21  THR  32          HG21      THR  32   0.148  10.674   4.662
  261   HG22  THR  32          HG22      THR  32  -0.162   8.947   4.483
  262   HG23  THR  32          HG23      THR  32   0.333   9.904   3.086
  263    H    LEU  33           H        LEU  33  -0.194  12.024   0.794
  264    HA   LEU  33           HA       LEU  33  -1.244  10.626  -1.421
  265    HB2  LEU  33           HB2      LEU  33   1.210  12.177  -0.836
  266    HB3  LEU  33           HB3      LEU  33   1.268  11.081  -2.215
  267    HG   LEU  33           HG       LEU  33   0.685  13.483  -2.722
  268   HD11  LEU  33          HD11      LEU  33  -1.614  11.847  -3.611
  269   HD12  LEU  33          HD12      LEU  33  -0.488  12.831  -4.546
  270   HD13  LEU  33          HD13      LEU  33  -0.001  11.234  -3.978
  271   HD21  LEU  33          HD21      LEU  33  -0.751  14.016  -0.893
  272   HD22  LEU  33          HD22      LEU  33  -1.721  14.064  -2.364
  273   HD23  LEU  33          HD23      LEU  33  -1.834  12.679  -1.278
  274    H    LEU  34           H        LEU  34  -0.537   8.774  -2.480
  275    HA   LEU  34           HA       LEU  34   1.242   7.022  -0.915
  276    HB2  LEU  34           HB2      LEU  34  -1.436   6.574  -2.027
  277    HB3  LEU  34           HB3      LEU  34  -0.278   5.288  -2.361
  278    HG   LEU  34           HG       LEU  34  -0.173   6.012   0.419
  279   HD11  LEU  34          HD11      LEU  34  -2.827   5.953  -0.785
  280   HD12  LEU  34          HD12      LEU  34  -2.626   4.794   0.528
  281   HD13  LEU  34          HD13      LEU  34  -2.314   6.507   0.809
  282   HD21  LEU  34          HD21      LEU  34   0.607   3.905  -0.569
  283   HD22  LEU  34          HD22      LEU  34  -0.578   3.634   0.709
  284   HD23  LEU  34          HD23      LEU  34  -1.056   3.491  -0.983
  285    H    ASN  35           H        ASN  35  -0.190   7.216  -4.181
  286    HA   ASN  35           HA       ASN  35   2.225   6.087  -5.326
  287    HB2  ASN  35           HB2      ASN  35   0.059   5.334  -6.175
  288    HB3  ASN  35           HB3      ASN  35  -0.357   6.985  -6.626
  289   HD21  ASN  35          HD21      ASN  35   2.697   5.255  -7.007
  290   HD22  ASN  35          HD22      ASN  35   2.745   5.358  -8.731
  291    H    SER  36           H        SER  36   0.247   8.885  -6.308
  292    HA   SER  36           HA       SER  36   0.810  10.983  -6.990
  293    HB2  SER  36           HB2      SER  36   2.857  10.292  -5.056
  294    HB3  SER  36           HB3      SER  36   3.504  11.342  -6.317
  295    HG   SER  36           HG       SER  36   2.065  12.058  -4.255
  296    H    THR  37           H        THR  37   1.570   8.398  -8.448
  297    HA   THR  37           HA       THR  37   3.665   9.438 -10.217
  298    HB   THR  37           HB       THR  37   2.431   6.677 -10.134
  299    HG1  THR  37           HG1      THR  37   4.641   7.852  -8.871
  300   HG21  THR  37          HG21      THR  37   4.262   6.027 -11.599
  301   HG22  THR  37          HG22      THR  37   3.314   7.311 -12.348
  302   HG23  THR  37          HG23      THR  37   4.870   7.682 -11.606
  303    H    ASN  38           H        ASN  38   0.291   8.482 -10.163
  304    HA   ASN  38           HA       ASN  38   0.032   9.026 -13.026
  305    HB2  ASN  38           HB2      ASN  38  -1.054   7.005 -12.337
  306    HB3  ASN  38           HB3      ASN  38  -1.861   7.823 -11.002
  307   HD21  ASN  38          HD21      ASN  38  -1.477   8.738 -14.399
  308   HD22  ASN  38          HD22      ASN  38  -3.167   8.836 -14.744
  309    H    LYS  39           H        LYS  39   0.030  11.201 -13.297
  310    HA   LYS  39           HA       LYS  39  -0.917  13.172 -11.647
  311    HB2  LYS  39           HB2      LYS  39   0.321  13.760 -13.606
  312    HB3  LYS  39           HB3      LYS  39  -0.887  13.039 -14.662
  313    HG2  LYS  39           HG2      LYS  39  -2.484  14.760 -14.051
  314    HG3  LYS  39           HG3      LYS  39  -1.316  15.467 -12.932
  315    HD2  LYS  39           HD2      LYS  39  -1.109  16.794 -14.834
  316    HD3  LYS  39           HD3      LYS  39   0.220  15.644 -14.996
  317    HE2  LYS  39           HE2      LYS  39  -2.435  15.031 -16.221
  318    HE3  LYS  39           HE3      LYS  39  -1.338  16.148 -17.030
  319    HZ1  LYS  39           HZ1      LYS  39   0.273  14.071 -16.415
  320    HZ2  LYS  39           HZ2      LYS  39  -1.182  13.286 -16.775
  321    HZ3  LYS  39           HZ3      LYS  39  -0.468  14.311 -17.917
  322    H    ASP  40           H        ASP  40  -2.752  11.513 -14.207
  323    HA   ASP  40           HA       ASP  40  -5.164  12.806 -13.996
  324    HB2  ASP  40           HB2      ASP  40  -4.973   9.813 -14.318
  325    HB3  ASP  40           HB3      ASP  40  -6.173  10.906 -15.003
  326    H    TRP  41           H        TRP  41  -4.018  10.072 -12.044
  327    HA   TRP  41           HA       TRP  41  -5.903  10.858  -9.949
  328    HB2  TRP  41           HB2      TRP  41  -5.734   8.134 -11.224
  329    HB3  TRP  41           HB3      TRP  41  -6.350   8.351  -9.588
  330    HD1  TRP  41           HD1      TRP  41  -7.268   8.931 -13.235
  331    HE1  TRP  41           HE1      TRP  41  -9.753   9.588 -13.375
  332    HE3  TRP  41           HE3      TRP  41  -8.234   9.524  -8.250
  333    HZ2  TRP  41           HZ2      TRP  41 -11.845  10.269 -11.607
  334    HZ3  TRP  41           HZ3      TRP  41 -10.502  10.180  -7.558
  335    HH2  TRP  41           HH2      TRP  41 -12.269  10.544  -9.203
  336    H    TRP  42           H        TRP  42  -4.747  11.184  -8.178
  337    HA   TRP  42           HA       TRP  42  -2.224   9.742  -7.824
  338    HB2  TRP  42           HB2      TRP  42  -3.353  12.267  -6.642
  339    HB3  TRP  42           HB3      TRP  42  -1.981  11.451  -5.897
  340    HD1  TRP  42           HD1      TRP  42  -0.776  10.643  -8.917
  341    HE1  TRP  42           HE1      TRP  42   0.532  12.486 -10.149
  342    HE3  TRP  42           HE3      TRP  42  -2.536  14.719  -6.383
  343    HZ2  TRP  42           HZ2      TRP  42   0.785  15.296 -10.058
  344    HZ3  TRP  42           HZ3      TRP  42  -1.711  16.948  -7.017
  345    HH2  TRP  42           HH2      TRP  42  -0.084  17.229  -8.816
  346    H    LYS  43           H        LYS  43  -2.463   7.859  -6.802
  347    HA   LYS  43           HA       LYS  43  -4.563   7.148  -5.103
  348    HB2  LYS  43           HB2      LYS  43  -3.172   5.474  -6.176
  349    HB3  LYS  43           HB3      LYS  43  -1.761   6.030  -5.286
  350    HG2  LYS  43           HG2      LYS  43  -3.396   5.458  -3.235
  351    HG3  LYS  43           HG3      LYS  43  -3.983   4.298  -4.429
  352    HD2  LYS  43           HD2      LYS  43  -1.094   4.377  -4.371
  353    HD3  LYS  43           HD3      LYS  43  -1.758   4.023  -2.774
  354    HE2  LYS  43           HE2      LYS  43  -1.381   1.963  -3.988
  355    HE3  LYS  43           HE3      LYS  43  -3.110   2.220  -3.762
  356    HZ1  LYS  43           HZ1      LYS  43  -1.807   3.132  -6.238
  357    HZ2  LYS  43           HZ2      LYS  43  -2.223   1.502  -6.061
  358    HZ3  LYS  43           HZ3      LYS  43  -3.420   2.694  -5.978
  359    H    VAL  44           H        VAL  44  -4.993   7.542  -3.028
  360    HA   VAL  44           HA       VAL  44  -2.827   8.303  -1.215
  361    HB   VAL  44           HB       VAL  44  -3.963  10.237  -0.366
  362   HG11  VAL  44          HG11      VAL  44  -2.687  10.198  -2.708
  363   HG12  VAL  44          HG12      VAL  44  -4.259  10.772  -3.264
  364   HG13  VAL  44          HG13      VAL  44  -3.379  11.671  -2.028
  365   HG21  VAL  44          HG21      VAL  44  -6.052  11.049  -1.569
  366   HG22  VAL  44          HG22      VAL  44  -6.173   9.419  -2.232
  367   HG23  VAL  44          HG23      VAL  44  -6.245   9.669  -0.487
  368    H    GLU  45           H        GLU  45  -3.588   8.378   1.081
  369    HA   GLU  45           HA       GLU  45  -5.716   6.384   1.509
  370    HB2  GLU  45           HB2      GLU  45  -3.714   5.335   2.161
  371    HB3  GLU  45           HB3      GLU  45  -3.086   6.799   2.904
  372    HG2  GLU  45           HG2      GLU  45  -4.625   6.609   4.728
  373    HG3  GLU  45           HG3      GLU  45  -5.448   5.259   3.949
  374    H    VAL  46           H        VAL  46  -7.391   6.967   2.732
  375    HA   VAL  46           HA       VAL  46  -7.097   9.090   4.712
  376    HB   VAL  46           HB       VAL  46  -9.285  10.108   3.843
  377   HG11  VAL  46          HG11      VAL  46  -8.002  11.775   3.101
  378   HG12  VAL  46          HG12      VAL  46  -6.628  10.710   3.398
  379   HG13  VAL  46          HG13      VAL  46  -7.348  10.793   1.790
  380   HG21  VAL  46          HG21      VAL  46  -8.420   9.059   1.179
  381   HG22  VAL  46          HG22      VAL  46  -9.509   8.113   2.194
  382   HG23  VAL  46          HG23      VAL  46  -9.977   9.730   1.667
  383    H    ASN  47           H        ASN  47  -8.307   8.750   6.486
  384    HA   ASN  47           HA       ASN  47  -9.481   7.457   7.979
  385    HB2  ASN  47           HB2      ASN  47 -11.953   7.209   7.111
  386    HB3  ASN  47           HB3      ASN  47 -11.302   8.798   7.499
  387   HD21  ASN  47          HD21      ASN  47 -12.193   6.610   4.942
  388   HD22  ASN  47          HD22      ASN  47 -12.244   7.790   3.681
  389    H    ASP  48           H        ASP  48  -7.979   5.632   7.243
  390    HA   ASP  48           HA       ASP  48  -7.619   3.486   6.502
  391    HB2  ASP  48           HB2      ASP  48  -9.350   3.545   8.591
  392    HB3  ASP  48           HB3      ASP  48 -10.304   2.652   7.410
  393    H    ARG  49           H        ARG  49  -8.661   5.112   4.439
  394    HA   ARG  49           HA       ARG  49  -9.829   3.043   2.766
  395    HB2  ARG  49           HB2      ARG  49 -11.350   5.295   3.798
  396    HB3  ARG  49           HB3      ARG  49 -11.320   5.280   2.040
  397    HG2  ARG  49           HG2      ARG  49 -12.059   2.867   3.669
  398    HG3  ARG  49           HG3      ARG  49 -13.238   4.070   3.143
  399    HD2  ARG  49           HD2      ARG  49 -11.658   3.366   0.898
  400    HD3  ARG  49           HD3      ARG  49 -12.157   1.872   1.691
  401    HE   ARG  49           HE       ARG  49 -13.839   3.741   0.289
  402   HH11  ARG  49          HH11      ARG  49 -13.718   1.214   2.680
  403   HH12  ARG  49          HH12      ARG  49 -15.386   0.781   2.495
  404   HH21  ARG  49          HH21      ARG  49 -16.035   3.180   0.037
  405   HH22  ARG  49          HH22      ARG  49 -16.702   1.899   0.991
  406    H    GLN  50           H        GLN  50  -7.869   3.092   1.645
  407    HA   GLN  50           HA       GLN  50  -7.098   5.601   0.359
  408    HB2  GLN  50           HB2      GLN  50  -5.004   4.625  -0.073
  409    HB3  GLN  50           HB3      GLN  50  -5.438   4.044   1.529
  410    HG2  GLN  50           HG2      GLN  50  -5.068   1.987   0.816
  411    HG3  GLN  50           HG3      GLN  50  -6.466   2.152  -0.245
  412   HE21  GLN  50          HE21      GLN  50  -3.021   2.970  -0.095
  413   HE22  GLN  50          HE22      GLN  50  -2.698   2.663  -1.764
  414    H    GLY  51           H        GLY  51  -6.839   5.793  -1.895
  415    HA2  GLY  51           HA2      GLY  51  -7.584   3.670  -3.674
  416    HA3  GLY  51           HA3      GLY  51  -8.857   4.869  -3.499
  417    H    PHE  52           H        PHE  52  -8.809   6.569  -4.815
  418    HA   PHE  52           HA       PHE  52  -6.254   7.481  -5.903
  419    HB2  PHE  52           HB2      PHE  52  -8.532   6.361  -7.485
  420    HB3  PHE  52           HB3      PHE  52  -7.583   7.675  -8.172
  421    HD1  PHE  52           HD1      PHE  52  -5.028   7.346  -8.240
  422    HD2  PHE  52           HD2      PHE  52  -7.815   4.173  -7.704
  423    HE1  PHE  52           HE1      PHE  52  -3.327   5.731  -8.983
  424    HE2  PHE  52           HE2      PHE  52  -6.118   2.553  -8.445
  425    HZ   PHE  52           HZ       PHE  52  -3.871   3.331  -9.086
  426    H    VAL  53           H        VAL  53  -6.119   9.614  -5.738
  427    HA   VAL  53           HA       VAL  53  -8.610  11.163  -5.495
  428    HB   VAL  53           HB       VAL  53  -6.379  11.110  -3.829
  429   HG11  VAL  53          HG11      VAL  53  -5.401  13.311  -3.957
  430   HG12  VAL  53          HG12      VAL  53  -5.190  12.489  -5.503
  431   HG13  VAL  53          HG13      VAL  53  -6.433  13.727  -5.325
  432   HG21  VAL  53          HG21      VAL  53  -7.995  13.532  -3.623
  433   HG22  VAL  53          HG22      VAL  53  -8.952  12.060  -3.795
  434   HG23  VAL  53          HG23      VAL  53  -7.788  12.206  -2.478
  435    HA   PRO  54           HA       PRO  54  -7.713  13.139  -9.334
  436    HB2  PRO  54           HB2      PRO  54  -9.268  15.342  -9.019
  437    HB3  PRO  54           HB3      PRO  54  -9.931  13.740  -9.362
  438    HG2  PRO  54           HG2      PRO  54  -9.709  15.178  -6.745
  439    HG3  PRO  54           HG3      PRO  54 -11.064  14.234  -7.392
  440    HD2  PRO  54           HD2      PRO  54  -9.331  13.233  -5.569
  441    HD3  PRO  54           HD3      PRO  54 -10.107  12.221  -6.805
  442    H    ALA  55           H        ALA  55  -5.825  14.096  -9.736
  443    HA   ALA  55           HA       ALA  55  -4.432  15.743  -7.934
  444    HB1  ALA  55           HB1      ALA  55  -4.031  15.590 -10.918
  445    HB2  ALA  55           HB2      ALA  55  -2.853  16.100  -9.709
  446    HB3  ALA  55           HB3      ALA  55  -3.392  14.422  -9.761
  447    H    ALA  56           H        ALA  56  -6.049  16.615 -10.995
  448    HA   ALA  56           HA       ALA  56  -5.693  19.333 -10.956
  449    HB1  ALA  56           HB1      ALA  56  -7.714  19.508 -12.313
  450    HB2  ALA  56           HB2      ALA  56  -6.729  18.134 -12.815
  451    HB3  ALA  56           HB3      ALA  56  -8.179  17.873 -11.844
  452    H    TYR  57           H        TYR  57  -7.947  17.422  -9.071
  453    HA   TYR  57           HA       TYR  57  -9.177  19.829  -7.963
  454    HB2  TYR  57           HB2      TYR  57  -9.820  16.893  -7.719
  455    HB3  TYR  57           HB3      TYR  57 -10.615  18.118  -6.737
  456    HD1  TYR  57           HD1      TYR  57 -11.236  20.276  -8.456
  457    HD2  TYR  57           HD2      TYR  57 -11.223  16.122  -9.374
  458    HE1  TYR  57           HE1      TYR  57 -12.858  20.676 -10.261
  459    HE2  TYR  57           HE2      TYR  57 -12.844  16.510 -11.183
  460    HH   TYR  57           HH       TYR  57 -14.648  18.319 -11.678
  461    H    VAL  58           H        VAL  58  -6.465  19.476  -7.348
  462    HA   VAL  58           HA       VAL  58  -6.637  19.346  -4.446
  463    HB   VAL  58           HB       VAL  58  -5.802  17.088  -5.679
  464   HG11  VAL  58          HG11      VAL  58  -3.856  18.468  -6.599
  465   HG12  VAL  58          HG12      VAL  58  -3.223  18.442  -4.954
  466   HG13  VAL  58          HG13      VAL  58  -3.469  16.930  -5.828
  467   HG21  VAL  58          HG21      VAL  58  -6.261  17.529  -3.250
  468   HG22  VAL  58          HG22      VAL  58  -4.932  16.413  -3.566
  469   HG23  VAL  58          HG23      VAL  58  -4.592  18.081  -3.105
  470    H    LYS  59           H        LYS  59  -4.462  19.993  -3.462
  471    HA   LYS  59           HA       LYS  59  -2.749  21.606  -5.134
  472    HB2  LYS  59           HB2      LYS  59  -4.886  22.787  -3.486
  473    HB3  LYS  59           HB3      LYS  59  -3.298  23.507  -3.256
  474    HG2  LYS  59           HG2      LYS  59  -3.424  23.410  -5.958
  475    HG3  LYS  59           HG3      LYS  59  -5.124  23.646  -5.548
  476    HD2  LYS  59           HD2      LYS  59  -2.853  25.353  -4.530
  477    HD3  LYS  59           HD3      LYS  59  -3.896  25.771  -5.891
  478    HE2  LYS  59           HE2      LYS  59  -5.555  25.064  -3.701
  479    HE3  LYS  59           HE3      LYS  59  -4.335  26.192  -3.111
  480    HZ1  LYS  59           HZ1      LYS  59  -5.332  27.079  -5.597
  481    HZ2  LYS  59           HZ2      LYS  59  -6.630  26.783  -4.552
  482    HZ3  LYS  59           HZ3      LYS  59  -5.399  27.849  -4.092
  483    H    LYS  60           H        LYS  60  -0.793  21.088  -4.435
  484    HA   LYS  60           HA       LYS  60  -0.261  19.923  -1.922
  485    HB2  LYS  60           HB2      LYS  60   1.083  19.936  -4.209
  486    HB3  LYS  60           HB3      LYS  60   1.916  21.283  -3.444
  487    HG2  LYS  60           HG2      LYS  60   1.665  18.497  -2.327
  488    HG3  LYS  60           HG3      LYS  60   3.100  19.190  -3.087
  489    HD2  LYS  60           HD2      LYS  60   2.610  21.056  -1.203
  490    HD3  LYS  60           HD3      LYS  60   1.980  19.621  -0.390
  491    HE2  LYS  60           HE2      LYS  60   4.617  19.378  -1.718
  492    HE3  LYS  60           HE3      LYS  60   4.544  20.359  -0.255
  493    HZ1  LYS  60           HZ1      LYS  60   5.074  18.073   0.269
  494    HZ2  LYS  60           HZ2      LYS  60   3.557  18.471   0.903
  495    HZ3  LYS  60           HZ3      LYS  60   3.668  17.531  -0.500
  496    H    LEU  61           H        LEU  61  -0.994  21.252  -0.272
  497    HA   LEU  61           HA       LEU  61   0.535  23.742   0.109
  498    HB2  LEU  61           HB2      LEU  61  -2.208  23.195   1.217
  499    HB3  LEU  61           HB3      LEU  61  -1.331  24.724   1.213
  500    HG   LEU  61           HG       LEU  61  -2.111  23.437  -1.374
  501   HD11  LEU  61          HD11      LEU  61  -4.039  25.378  -0.737
  502   HD12  LEU  61          HD12      LEU  61  -4.277  23.644  -0.953
  503   HD13  LEU  61          HD13      LEU  61  -3.944  24.294   0.652
  504   HD21  LEU  61          HD21      LEU  61  -1.896  26.333  -0.570
  505   HD22  LEU  61          HD22      LEU  61  -0.563  25.400  -1.250
  506   HD23  LEU  61          HD23      LEU  61  -2.023  25.672  -2.200
  507    H    ASP  62           H        ASP  62   1.862  21.708   0.998
  508    HA   ASP  62           HA       ASP  62   1.702  21.957   3.880
  509    HB2  ASP  62           HB2      ASP  62   0.252  19.963   3.145
  510    HB3  ASP  62           HB3      ASP  62   1.772  19.174   2.733