*HEADER    VIRUS/VIRAL PROTEIN                     27-AUG-99   1CWX              
*TITLE     SOLUTION STRUCTURE OF THE HEPATITIS C VIRUS N-TERMINAL                
*TITLE    2 CAPSID PROTEIN 2-45 [C- HCV(2-45)]                                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HEPATITIS C VIRUS CAPSID PROTEIN;                          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: N-TERMINAL FRAGMENT;                                       
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PROTEIN WAS CHEMICALLY SYNTHESIZED.               
*SOURCE   4 THIS SEQUENCE OCCURS NATURALLY IN HEPATITIS C VIRUS                  
*SOURCE   5 (GENOTYPE 1A ISOLATE H77)..                                          
*KEYWDS    HELIX-LOOP-HELIX                                                      
*EXPDTA    NMR, 4 STRUCTURES                                                     
*AUTHOR    L.LADAVIERE, G.DELEAGE, R.MONTSERRET, P.DALBON, M.JOLIVET,            
*AUTHOR   2 F.PENIN                                                              
*REVDAT   1   30-AUG-99 1CWX    0                                                
! This file contains the NMR constraints for Hepatitis C Virus N-terminal
! capsid protein 2-45: STNPKPQRKTKRNTNRRPQDVKFPGGGQIVGGVYLLPRRGPRLG
! This file has been obtained from NOESY spectra recorded in 40% TFE
! 10 mM phosphate, NaCl 0.1M pH 5.9 293 K
!  
! File directly usable with X-PLOR 3-1
!
! For any request please contact f.penin@ibcp.fr
!
assign (resid    1 and  name HA   )(resid    1 and  name HB#  ) 3.4 2.6 1.3
assign (resid    2 and  name HA   )(resid    2 and  name HB   ) 3.4 1.6 0.3
assign (resid    2 and  name HA   )(resid    2 and  name HG#  ) 2.3 1.5 1.2
assign (resid    2 and  name HB   )(resid    2 and  name HG#  ) 2.3 1.5 1.2
assign (resid    3 and  name HN   )(resid    3 and  name HA   ) 4.5 2.7 0.5
assign (resid    3 and  name HN   )(resid    3 and  name HB1  ) 3.9 2.1 0.4
assign (resid    3 and  name HN   )(resid    3 and  name HB2  ) 3.9 2.1 0.4
assign (resid    3 and  name HA   )(resid    3 and  name HB1  ) 3.4 1.6 0.3
assign (resid    3 and  name HA   )(resid    3 and  name HB2  ) 2.8 1.0 0.3
assign (resid    3 and  name HB1  )(resid    3 and  name HB2  ) 2.3 0.5 0.2                                                                             
assign (resid    5 and  name HN   )(resid    5 and  name HG#  ) 4.5 3.7 1.5                                                                             
assign (resid    7 and  name HN   )(resid    7 and  name HG#  ) 3.4 2.6 1.3
assign (resid    7 and  name HN   )(resid    7 and  name HB1  ) 3.4 1.6 0.3
assign (resid    7 and  name HN   )(resid    7 and  name HB2  ) 2.8 1.0 0.3
assign (resid    7 and  name HA   )(resid    7 and  name HG#  ) 2.8 2.0 1.3                                                                             
assign (resid    9 and  name HN   )(resid    9 and  name HG#  ) 3.9 3.1 1.4                                                                              
assign (resid   10 and  name HN   )(resid   10 and  name HG#  ) 3.4 2.6 1.3
assign (resid   10 and  name HA   )(resid   10 and  name HG#  ) 2.3 1.5 1.2
assign (resid   11 and  name HN   )(resid   11 and  name HG#  ) 3.4 2.6 1.3                                                                              
assign (resid   13 and  name HN   )(resid   13 and  name HA   ) 4.5 2.7 0.5
assign (resid   13 and  name HN   )(resid   13 and  name HB#  ) 3.9 3.1 1.4
assign (resid   13 and  name HA   )(resid   13 and  name HB#  ) 2.8 2.0 1.3                                                                               
assign (resid   14 and  name HN   )(resid   14 and  name HA   ) 3.4 1.6 0.3
assign (resid   14 and  name HN   )(resid   14 and  name HB   ) 3.9 2.1 0.4
assign (resid   14 and  name HN   )(resid   14 and  name HG#  ) 3.4 2.6 1.3
assign (resid   14 and  name HA   )(resid   14 and  name HB   ) 3.4 1.6 0.3                                                                              
assign (resid   16 and  name HN   )(resid   16 and  name HB1  ) 2.8 1.0 0.3
assign (resid   16 and  name HN   )(resid   16 and  name HB2  ) 2.3 0.5 0.2
assign (resid   16 and  name HN   )(resid   16 and  name HG#  ) 2.3 1.5 1.2                                                                             
assign (resid   17 and  name HN   )(resid   17 and  name HA   ) 3.9 2.1 0.4
assign (resid   17 and  name HN   )(resid   17 and  name HD#  ) 5.0 4.2 1.5
assign (resid   17 and  name HN   )(resid   17 and  name HB#  ) 3.4 2.6 1.3                                                                               
assign (resid   18 and  name HA   )(resid   18 and  name HD1  ) 3.9 2.1 0.4
assign (resid   18 and  name HA   )(resid   18 and  name HD2  ) 3.9 2.1 0.4                                                                               
assign (resid   19 and  name HN   )(resid   19 and  name HA   ) 2.8 1.0 0.3
assign (resid   19 and  name HN   )(resid   19 and  name HG#  ) 2.8 2.0 1.3
assign (resid   19 and  name HN   )(resid   19 and  name HB1  ) 2.8 1.0 0.3
assign (resid   19 and  name HN   )(resid   19 and  name HB2  ) 2.8 1.0 0.3
assign (resid   19 and  name HA   )(resid   19 and  name HA   ) 2.3 0.5 0.2
assign (resid   19 and  name HA   )(resid   19 and  name HG#  ) 2.3 1.5 1.2
assign (resid   19 and  name HA   )(resid   19 and  name HB1  ) 2.3 0.5 0.2
assign (resid   19 and  name HN   )(resid   19 and  name HE21 ) 4.5 2.7 0.5
assign (resid   19 and  name HN   )(resid   19 and  name HE22 ) 4.5 2.7 0.5
assign (resid   20 and  name HN   )(resid   20 and  name HB1  ) 2.8 1.0 0.3
assign (resid   20 and  name HN   )(resid   20 and  name HB2  ) 3.4 1.6 0.3                                                                               
assign (resid   21 and  name HN   )(resid   21 and  name HA   ) 2.8 1.0 0.3
assign (resid   21 and  name HN   )(resid   21 and  name HB   ) 2.8 1.0 0.3
assign (resid   21 and  name HN   )(resid   21 and  name HG*  ) 2.3 2.5 2.2
assign (resid   21 and  name HA   )(resid   21 and  name HB   ) 2.8 1.0 0.3
assign (resid   21 and  name HA   )(resid   21 and  name HG*  ) 2.3 2.5 2.2                                                                               
assign (resid   22 and  name HN   )(resid   22 and  name HA   ) 2.3 0.5 0.2
assign (resid   22 and  name HN   )(resid   22 and  name HE#  ) 4.5 3.7 1.5
assign (resid   22 and  name HN   )(resid   22 and  name HG1  ) 3.4 1.6 0.3
assign (resid   22 and  name HN   )(resid   22 and  name HG2  ) 3.9 2.1 0.4                                                                               
assign (resid   23 and  name HN   )(resid   23 and  name HA   ) 3.4 1.6 0.3
assign (resid   23 and  name HN   )(resid   23 and  name HB1  ) 3.4 1.6 0.3
assign (resid   23 and  name HN   )(resid   23 and  name HB2  ) 2.8 1.0 0.3
assign (resid   23 and  name HA   )(resid   23 and  name HB1  ) 2.8 1.0 0.3
assign (resid   23 and  name HA   )(resid   23 and  name HB2  ) 3.4 1.6 0.3
assign (resid   23 and  name HB1  )(resid   23 and  name HB2  ) 2.3 0.5 0.2
assign (resid   23 and  name HD*  )(resid   23 and  name HA   ) 4.5 4.7 2.5
assign (resid   23 and  name HD*  )(resid   23 and  name HB1  ) 3.9 4.1 2.4
assign (resid   23 and  name HD*  )(resid   23 and  name HB2  ) 3.9 4.1 2.4
assign (resid   23 and  name HE*  )(resid   23 and  name HA   ) 2.8 3.0 2.3
assign (resid   23 and  name HE*  )(resid   23 and  name HB1  ) 2.3 2.5 2.2
assign (resid   23 and  name HE*  )(resid   23 and  name HB2  ) 2.8 3.0 2.3                                                                               
assign (resid   24 and  name HA   )(resid   24 and  name HD2  ) 3.9 2.1 0.4
assign (resid   24 and  name HD1  )(resid   24 and  name HD2  ) 2.3 0.5 0.2
assign (resid   24 and  name HD2  )(resid   24 and  name HB1  ) 3.9 2.1 0.4                                                                              
assign (resid   28 and  name HN   )(resid   28 and  name HG#  ) 2.8 2.0 1.3
assign (resid   28 and  name HN   )(resid   28 and  name HB1  ) 2.8 1.0 0.3
assign (resid   28 and  name HN   )(resid   28 and  name HB2  ) 2.8 1.0 0.3                                         
assign (resid   29 and  name HA   )(resid   29 and  name HB   ) 2.8 1.0 0.3
assign (resid   29 and  name HA   )(resid   29 and  name HG11 ) 3.4 1.6 0.3
assign (resid   29 and  name HA   )(resid   29 and  name HG2# ) 2.3 1.5 1.2
assign (resid   29 and  name HB   )(resid   29 and  name HD#  ) 3.4 2.6 1.3
assign (resid   29 and  name HB   )(resid   29 and  name HG2# ) 2.3 1.5 1.2
assign (resid   29 and  name HG11 )(resid   29 and  name HD#  ) 2.3 1.5 1.2
assign (resid   29 and  name HG11 )(resid   29 and  name HG2# ) 2.3 1.5 1.2                                                                               
assign (resid   30 and  name HN   )(resid   30 and  name HB   ) 2.3 0.5 0.2
assign (resid   30 and  name HB   )(resid   30 and  name HG*  ) 2.3 2.9 2.6                                            
assign (resid   33 and  name HN   )(resid   33 and  name HG*  ) 2.3 2.9 2.6
assign (resid   33 and  name HA   )(resid   33 and  name HB   ) 2.8 1.0 0.3
assign (resid   33 and  name HA   )(resid   33 and  name HG*  ) 2.3 2.9 2.6                                                                              
assign (resid   34 and  name HN   )(resid   34 and  name HA   ) 3.4 1.6 0.3                                   
assign (resid   34 and  name HA   )(resid   34 and  name HB1  ) 2.8 1.0 0.3
assign (resid   34 and  name HA   )(resid   34 and  name HB2  ) 2.8 1.0 0.3
assign (resid   34 and  name HD*  )(resid   34 and  name HA   ) 3.4 3.6 2.3
assign (resid   34 and  name HD*  )(resid   34 and  name HB1  ) 2.3 2.5 2.2
assign (resid   34 and  name HD*  )(resid   34 and  name HB2  ) 2.3 2.5 2.2
assign (resid   34 and  name HE*  )(resid   34 and  name HA   ) 4.5 4.7 2.5
assign (resid   34 and  name HE*  )(resid   34 and  name HB1  ) 3.9 4.1 2.4
assign (resid   34 and  name HE*  )(resid   34 and  name HB2  ) 3.4 3.6 2.3                                                                              
assign (resid   35 and  name HN   )(resid   35 and  name HA   ) 3.4 1.6 0.3
assign (resid   35 and  name HN   )(resid   35 and  name HG   ) 2.8 1.0 0.3
assign (resid   35 and  name HN   )(resid   35 and  name HB#  ) 2.3 1.5 1.2                                                                              
assign (resid   36 and  name HN   )(resid   36 and  name HA   ) 3.9 2.1 0.4
assign (resid   36 and  name HN   )(resid   36 and  name HD*  ) 3.4 4.0 2.7
assign (resid   36 and  name HA   )(resid   36 and  name HD*  ) 2.8 3.4 2.7
assign (resid   36 and  name HA   )(resid   36 and  name HB#  ) 3.4 2.6 1.3
assign (resid   36 and  name HA   )(resid   36 and  name HG   ) 3.4 1.6 0.3                                                                              
assign (resid   38 and  name HN   )(resid   38 and  name HD#  ) 4.5 3.7 1.5
assign (resid   38 and  name HN   )(resid   38 and  name HB1  ) 2.3 0.5 0.2
assign (resid   38 and  name HN   )(resid   38 and  name HB2  ) 3.4 1.6 0.3
assign (resid   38 and  name HN   )(resid   38 and  name HG#  ) 2.3 1.5 1.2                                                                               
assign (resid   39 and  name HN   )(resid   39 and  name HD#  ) 4.5 3.7 1.5
assign (resid   39 and  name HN   )(resid   39 and  name HB1  ) 2.8 1.0 0.3
assign (resid   39 and  name HN   )(resid   39 and  name HB2  ) 2.8 1.0 0.3
assign (resid   39 and  name HN   )(resid   39 and  name HG#  ) 2.8 2.0 1.3                                                                              
assign (resid   40 and  name HN   )(resid   40 and  name HA1  ) 2.8 1.0 0.3
assign (resid   40 and  name HN   )(resid   40 and  name HA2  ) 2.3 0.5 0.2                                                                              
assign (resid   41 and  name HD2  )(resid   41 and  name HB1  ) 3.9 2.1 0.4                                                                             
assign (resid   43 and  name HA   )(resid   43 and  name HD1# ) 4.5 3.7 1.5
assign (resid   43 and  name HA   )(resid   43 and  name HD2# ) 3.4 2.6 1.3                                                                               
assign (resid   44 and  name HN   )(resid   44 and  name HA1  ) 2.8 1.0 0.3
assign (resid   44 and  name HN   )(resid   44 and  name HA2  ) 3.4 1.6 0.3                                                                              
assign (resid    3 and  name HN   )(resid    2 and  name HA   ) 3.4 1.6 0.3
assign (resid    3 and  name HN   )(resid    4 and  name HD1  ) 5.0 3.2 0.5
assign (resid    3 and  name HA   )(resid    4 and  name HD1  ) 2.3 0.5 0.2
assign (resid    3 and  name HA   )(resid    4 and  name HD2  ) 2.8 1.0 0.3
assign (resid    3 and  name HA   )(resid    4 and  name HG#  ) 5.0 4.2 1.5                                                                              
assign (resid    4 and  name HD1  )(resid    3 and  name HB1  ) 5.0 3.2 0.5
assign (resid    4 and  name HD1  )(resid    3 and  name HB2  ) 5.0 3.2 0.5
assign (resid    4 and  name HD2  )(resid    3 and  name HB1  ) 4.5 2.7 0.5
assign (resid    4 and  name HD2  )(resid    3 and  name HB2  ) 4.5 2.7 0.5                                                                              
assign (resid    5 and  name HN   )(resid    6 and  name HD1  ) 3.9 2.1 0.4
assign (resid    5 and  name HN   )(resid    6 and  name HD2  ) 4.5 2.7 0.5
assign (resid    5 and  name HA   )(resid    6 and  name HD1  ) 5.0 3.2 0.5
assign (resid    5 and  name HA   )(resid    6 and  name HD2  ) 4.5 2.7 0.5                                                                              
assign (resid    6 and  name HD2  )(resid    5 and  name HB1  ) 3.9 2.1 0.4                                                                               
assign (resid    7 and  name HN   )(resid    8 and  name HN   ) 3.9 2.1 0.4
assign (resid    7 and  name HN   )(resid    6 and  name HB1  ) 3.9 2.1 0.4
assign (resid    7 and  name HN   )(resid    6 and  name HB2  ) 3.9 2.1 0.4
assign (resid    7 and  name HN   )(resid    6 and  name HA   ) 2.3 0.5 0.2                                                                              
assign (resid    8 and  name HN   )(resid    7 and  name HG#  ) 4.5 3.7 1.5
assign (resid    8 and  name HN   )(resid    7 and  name HB1  ) 3.9 2.1 0.4
assign (resid    8 and  name HN   )(resid    7 and  name HB2  ) 4.5 2.7 0.5                                                                               
assign (resid    9 and  name HN   )(resid    8 and  name HA   ) 2.3 0.5 0.2
assign (resid    9 and  name HN   )(resid   10 and  name HN   ) 3.9 2.1 0.4                                                                               
assign (resid   10 and  name HN   )(resid    9 and  name HG1  ) 4.5 2.7 0.5
assign (resid   10 and  name HN   )(resid    9 and  name HG2  ) 3.9 2.1 0.4
assign (resid   10 and  name HN   )(resid   11 and  name HN   ) 3.9 2.1 0.4                                                                               
assign (resid   11 and  name HN   )(resid   10 and  name HA   ) 3.4 1.6 0.3
assign (resid   11 and  name HN   )(resid   10 and  name HB   ) 3.4 1.6 0.3
assign (resid   11 and  name HN   )(resid   10 and  name HG#  ) 2.3 1.5 1.2                                                                              
assign (resid   12 and  name HN   )(resid   13 and  name HN   ) 4.5 2.7 0.5                                                                              
assign (resid   13 and  name HN   )(resid   12 and  name HA   ) 2.8 1.0 0.3
assign (resid   13 and  name HN   )(resid   12 and  name HB1  ) 3.9 2.1 0.4
assign (resid   13 and  name HN   )(resid   12 and  name HB2  ) 4.5 2.7 0.5
assign (resid   13 and  name HN   )(resid   14 and  name HN   ) 5.0 3.2 0.5                                                                               
assign (resid   14 and  name HN   )(resid   13 and  name HA   ) 4.5 2.7 0.5
assign (resid   14 and  name HN   )(resid   13 and  name HB#  ) 2.3 1.5 1.2
assign (resid   14 and  name HN   )(resid   15 and  name HN   ) 3.4 1.6 0.3                                                                              
assign (resid   15 and  name HN   )(resid   14 and  name HG#  ) 3.4 2.6 1.3                                                                               
assign (resid   16 and  name HN   )(resid   17 and  name HN   ) 3.9 2.1 0.4
assign (resid   16 and  name HA   )(resid   19 and  name HG#  ) 3.9 3.1 1.4
assign (resid   16 and  name HA   )(resid   19 and  name HB1  ) 3.9 2.1 0.4
assign (resid   16 and  name HA   )(resid   19 and  name HB2  ) 4.5 2.7 0.5
assign (resid   16 and  name HD#  )(resid   19 and  name HG#  ) 5.0 5.2 2.5
assign (resid   16 and  name HD#  )(resid   19 and  name HB1  ) 5.0 4.2 1.5                                                                               
assign (resid   17 and  name HN   )(resid   16 and  name HA   ) 2.3 0.5 0.2
assign (resid   17 and  name HN   )(resid   16 and  name HB2  ) 3.4 1.6 0.3
assign (resid   17 and  name HN   )(resid   16 and  name HG#  ) 3.9 3.1 1.4
assign (resid   17 and  name HN   )(resid   20 and  name HB1  ) 4.5 2.7 0.5
assign (resid   17 and  name HN   )(resid   20 and  name HB2  ) 3.9 2.1 0.4
assign (resid   17 and  name HN   )(resid   19 and  name HN   ) 5.0 3.2 0.5                                        
assign (resid   17 and  name HD#  )(resid   20 and  name HB1  ) 5.0 4.2 1.5
assign (resid   17 and  name HD#  )(resid   20 and  name HB2  ) 5.0 4.2 1.5
assign (resid   17 and  name HA   )(resid   20 and  name HB1  ) 3.9 2.1 0.4
assign (resid   17 and  name HA   )(resid   20 and  name HB2  ) 3.9 2.1 0.4                                          
assign (resid   18 and  name HA   )(resid   21 and  name HB   ) 3.9 2.1 0.4                                                                              
assign (resid   19 and  name HA   )(resid   22 and  name HG1  ) 5.0 3.2 0.5
assign (resid   19 and  name HA   )(resid   22 and  name HB#  ) 3.4 2.6 1.3
assign (resid   19 and  name HA   )(resid   22 and  name HD#  ) 5.0 4.2 1.5
assign (resid   19 and  name HA   )(resid   18 and  name HB1  ) 5.0 3.2 0.5
assign (resid   19 and  name HA   )(resid   18 and  name HB2  ) 4.5 2.7 0.5
assign (resid   19 and  name HN   )(resid   18 and  name HA   ) 2.8 1.0 0.3
assign (resid   19 and  name HN   )(resid   18 and  name HD1  ) 4.5 2.7 0.5
assign (resid   19 and  name HN   )(resid   18 and  name HD2  ) 3.9 2.1 0.4
assign (resid   19 and  name HN   )(resid   18 and  name HB1  ) 3.4 1.6 0.3
assign (resid   19 and  name HN   )(resid   18 and  name HB2  ) 3.4 1.6 0.3
assign (resid   19 and  name HN   )(resid   17 and  name HG#  ) 4.5 3.7 1.5
assign (resid   19 and  name HN   )(resid   17 and  name HB#  ) 4.5 3.7 1.5
assign (resid   19 and  name HN   )(resid   20 and  name HB2  ) 5.0 3.2 0.5
assign (resid   19 and  name HN   )(resid   21 and  name HN   ) 3.9 2.1 0.4
assign (resid   19 and  name HN   )(resid   20 and  name HN   ) 2.8 1.0 0.3
assign (resid   19 and  name HE21 )(resid   18 and  name HA   ) 5.0 3.2 0.5
assign (resid   19 and  name HE21 )(resid   22 and  name HG2  ) 5.0 3.2 0.5
assign (resid   19 and  name HA   )(resid   20 and  name HB1  ) 4.5 2.7 0.5
assign (resid   19 and  name HA   )(resid   20 and  name HB2  ) 4.5 2.7 0.5                                                                               
assign (resid   20 and  name HN   )(resid   19 and  name HA   ) 2.3 0.5 0.2
assign (resid   20 and  name HN   )(resid   19 and  name HG#  ) 3.4 2.6 1.3
assign (resid   20 and  name HN   )(resid   19 and  name HB1  ) 3.4 1.6 0.3
assign (resid   20 and  name HN   )(resid   19 and  name HB2  ) 3.4 1.6 0.3
assign (resid   20 and  name HN   )(resid   17 and  name HA   ) 4.5 2.7 0.5
assign (resid   20 and  name HN   )(resid   21 and  name HN   ) 2.8 1.0 0.3
assign (resid   20 and  name HN   )(resid   22 and  name HN   ) 3.9 2.1 0.4
assign (resid   20 and  name HN   )(resid   19 and  name HE21 ) 5.0 3.2 0.5                                                                              
assign (resid   21 and  name HN   )(resid   20 and  name HB1  ) 3.9 2.1 0.4
assign (resid   21 and  name HN   )(resid   20 and  name HB2  ) 3.9 2.1 0.4
assign (resid   21 and  name HN   )(resid   22 and  name HG1  ) 5.0 3.2 0.5                                             
assign (resid   21 and  name HA   )(resid   20 and  name HB2  ) 4.5 2.7 0.5
assign (resid   21 and  name HA   )(resid   22 and  name HG1  ) 4.5 2.7 0.5
assign (resid   21 and  name HA   )(resid   22 and  name HG2  ) 4.5 2.7 0.5
assign (resid   21 and  name HA   )(resid   24 and  name HD2  ) 5.0 3.2 0.5
assign (resid   21 and  name HA   )(resid   24 and  name HD1  ) 3.9 2.1 0.4
assign (resid   21 and  name HN   )(resid   18 and  name HA   ) 5.0 3.2 0.5
assign (resid   21 and  name HN   )(resid   22 and  name HN   ) 2.8 1.0 0.3
assign (resid   21 and  name HN   )(resid   23 and  name HN   ) 5.0 3.2 0.5                                                                               
assign (resid   22 and  name HN   )(resid   21 and  name HA   ) 2.8 1.0 0.3
assign (resid   22 and  name HN   )(resid   21 and  name HB   ) 3.4 1.6 0.3
assign (resid   22 and  name HN   )(resid   20 and  name HB1  ) 4.5 2.7 0.5
assign (resid   22 and  name HN   )(resid   20 and  name HB2  ) 5.0 3.2 0.5
assign (resid   22 and  name HN   )(resid   24 and  name HD1  ) 4.5 2.7 0.5
assign (resid   22 and  name HN   )(resid   24 and  name HD2  ) 3.9 2.1 0.4
assign (resid   22 and  name HN   )(resid   24 and  name HB1  ) 3.9 2.1 0.4
assign (resid   22 and  name HN   )(resid   23 and  name HN   ) 2.3 0.5 0.2                                                                               
assign (resid   23 and  name HN   )(resid   22 and  name HA   ) 2.8 1.0 0.3
assign (resid   23 and  name HN   )(resid   22 and  name HE#  ) 4.5 3.7 1.5
assign (resid   23 and  name HN   )(resid   22 and  name HB#  ) 2.8 2.0 1.3
assign (resid   23 and  name HN   )(resid   22 and  name HD#  ) 3.4 2.6 1.3
assign (resid   23 and  name HN   )(resid   22 and  name HG1  ) 4.5 2.7 0.5
assign (resid   23 and  name HN   )(resid   22 and  name HG2  ) 4.5 2.7 0.5
assign (resid   23 and  name HN   )(resid   24 and  name HD2  ) 3.9 2.1 0.4
assign (resid   23 and  name HN   )(resid   24 and  name HD1  ) 3.9 2.1 0.4
assign (resid   23 and  name HA   )(resid   24 and  name HD1  ) 2.3 0.5 0.2
assign (resid   23 and  name HA   )(resid   24 and  name HD2  ) 2.3 0.5 0.2
assign (resid   23 and  name HA   )(resid   24 and  name HB1  ) 4.5 2.7 0.5
assign (resid   23 and  name HA   )(resid   24 and  name HB2  ) 4.5 2.7 0.5                                                                               
assign (resid   23 and  name HD*  )(resid   24 and  name HD2  ) 4.5 4.7 2.5
assign (resid   23 and  name HE*  )(resid   22 and  name HA   ) 4.5 4.7 2.5
assign (resid   23 and  name HE*  )(resid   20 and  name HA   ) 5.0 5.2 2.5
assign (resid   23 and  name HE*  )(resid   24 and  name HD1  ) 3.9 4.1 2.4
assign (resid   23 and  name HE*  )(resid   24 and  name HD2  ) 3.9 4.1 2.4
assign (resid   23 and  name HE*  )(resid   20 and  name HB2  ) 5.0 5.2 2.5
assign (resid   23 and  name HE*  )(resid   21 and  name HB   ) 4.5 4.7 2.5
assign (resid   23 and  name HE*  )(resid   22 and  name HB#  ) 3.9 5.1 3.4
assign (resid   23 and  name HE*  )(resid   22 and  name HG1  ) 5.0 5.2 2.5
assign (resid   23 and  name HE*  )(resid   22 and  name HG2  ) 5.0 5.2 2.5
assign (resid   23 and  name HD*  )(resid   22 and  name HN   ) 4.5 4.7 2.5
assign (resid   23 and  name HE*  )(resid   22 and  name HN   ) 3.9 4.1 2.4                                                               
assign (resid   23 and  name HD*  )(resid   33 and  name HA   ) 4.5 4.7 2.5
assign (resid   23 and  name HD*  )(resid   33 and  name HG1# ) 5.0 6.2 3.5
assign (resid   23 and  name HD*  )(resid   33 and  name HG2# ) 5.0 6.2 3.5
assign (resid   23 and  name HE*  )(resid   33 and  name HA   ) 3.9 4.1 2.4
assign (resid   23 and  name HE*  )(resid   33 and  name HG1# ) 3.9 5.1 3.4
assign (resid   23 and  name HE*  )(resid   33 and  name HG2# ) 3.9 5.1 3.4                                                                             
assign (resid   24 and  name HD1  )(resid   23 and  name HB1  ) 3.9 2.1 0.4
assign (resid   24 and  name HD1  )(resid   23 and  name HB2  ) 3.9 2.1 0.4
assign (resid   24 and  name HD2  )(resid   23 and  name HB1  ) 3.9 2.1 0.4
assign (resid   24 and  name HD2  )(resid   23 and  name HB2  ) 3.9 2.1 0.4                                                                              
assign (resid   27 and  name HN   )(resid   28 and  name HN   ) 2.8 1.0 0.3
assign (resid   27 and  name HN   )(resid   29 and  name HN   ) 3.9 2.1 0.4
assign (resid   27 and  name HN   )(resid   23 and  name HB1  ) 4.5 2.7 0.5
assign (resid   27 and  name HN   )(resid   23 and  name HB2  ) 4.5 2.7 0.5                                                                               
assign (resid   28 and  name HN   )(resid   27 and  name HA#  ) 2.3 1.5 1.2
assign (resid   28 and  name HN   )(resid   29 and  name HN   ) 2.8 1.0 0.3
assign (resid   28 and  name HN   )(resid   30 and  name HN   ) 3.9 2.1 0.4                                                                               
assign (resid   29 and  name HN   )(resid   28 and  name HG#  ) 3.4 2.6 1.3
assign (resid   29 and  name HN   )(resid   28 and  name HB2  ) 3.4 1.6 0.3
assign (resid   29 and  name HA   )(resid   30 and  name HG*  ) 3.9 4.5 2.8
assign (resid   29 and  name HN   )(resid   31 and  name HN   ) 3.9 2.1 0.4
assign (resid   29 and  name HB   )(resid   22 and  name HG1  ) 3.4 1.6 0.3
assign (resid   29 and  name HB   )(resid   22 and  name HG2  ) 4.5 2.7 0.5                                                                                                                                                             
assign (resid   30 and  name HA   )(resid   29 and  name HB   ) 4.5 2.7 0.5
assign (resid   30 and  name HA   )(resid   33 and  name HB   ) 3.4 1.6 0.3
assign (resid   30 and  name HA   )(resid   33 and  name HG*  ) 3.4 4.0 2.7
assign (resid   30 and  name HN   )(resid   31 and  name HN   ) 2.8 1.0 0.3
assign (resid   30 and  name HB   )(resid   29 and  name HD#  ) 5.0 4.2 1.5                                                                               
assign (resid   31 and  name HN   )(resid   30 and  name HB   ) 3.4 1.6 0.3
assign (resid   31 and  name HN   )(resid   30 and  name HG*  ) 2.8 3.4 2.7
assign (resid   31 and  name HA1  )(resid   34 and  name HB1  ) 4.5 2.7 0.5
assign (resid   31 and  name HA1  )(resid   34 and  name HB2  ) 3.9 2.1 0.4
assign (resid   31 and  name HA2  )(resid   34 and  name HB1  ) 3.9 2.1 0.4
assign (resid   31 and  name HA2  )(resid   34 and  name HB2  ) 3.4 1.6 0.3
assign (resid   31 and  name HN   )(resid   32 and  name HN   ) 3.4 1.6 0.3
assign (resid   31 and  name HN   )(resid   33 and  name HN   ) 3.9 2.1 0.4
assign (resid   31 and  name HN   )(resid   29 and  name HA   ) 5.0 3.2 0.5                                                                              
assign (resid   32 and  name HN   )(resid   31 and  name HA1  ) 2.8 1.0 0.3
assign (resid   32 and  name HN   )(resid   31 and  name HA2  ) 2.8 1.0 0.3
assign (resid   32 and  name HN   )(resid   29 and  name HA   ) 3.9 2.1 0.4
assign (resid   32 and  name HA1  )(resid   35 and  name HB#  ) 2.3 1.5 1.2
assign (resid   32 and  name HN   )(resid   33 and  name HN   ) 2.8 1.0 0.3
assign (resid   32 and  name HN   )(resid   34 and  name HN   ) 3.9 2.1 0.4
assign (resid   32 and  name HN   )(resid   34 and  name HD*  ) 4.5 4.7 2.5
assign (resid   32 and  name HN   )(resid   34 and  name HE*  ) 4.5 4.7 2.5
assign (resid   32 and  name HN   )(resid   23 and  name HA   ) 5.0 3.2 0.5                                                                               
assign (resid   33 and  name HN   )(resid   32 and  name HA1  ) 2.8 1.0 0.3
assign (resid   33 and  name HN   )(resid   32 and  name HA2  ) 2.8 1.0 0.3
assign (resid   33 and  name HN   )(resid   34 and  name HB1  ) 5.0 3.2 0.5
assign (resid   33 and  name HN   )(resid   34 and  name HB2  ) 4.5 2.7 0.5
assign (resid   33 and  name HA   )(resid   36 and  name HB#  ) 2.8 2.0 1.3
assign (resid   33 and  name HA   )(resid   36 and  name HG   ) 4.5 2.7 0.5
assign (resid   33 and  name HN   )(resid   34 and  name HN   ) 2.8 1.0 0.3
assign (resid   33 and  name HN   )(resid   34 and  name HD*  ) 4.5 4.7 2.5
assign (resid   33 and  name HN   )(resid   35 and  name HN   ) 3.9 2.1 0.4
assign (resid   33 and  name HB   )(resid   36 and  name HG   ) 4.5 2.7 0.5
assign (resid   33 and  name HN   )(resid   29 and  name HA   ) 5.0 3.2 0.5                                                                               
assign (resid   34 and  name HN   )(resid   33 and  name HA   ) 2.8 1.0 0.3
assign (resid   34 and  name HN   )(resid   33 and  name HB   ) 2.8 1.0 0.3
assign (resid   34 and  name HN   )(resid   33 and  name HG*  ) 2.3 2.9 2.6
assign (resid   34 and  name HA   )(resid   33 and  name HG*  ) 4.5 5.1 2.9
assign (resid   34 and  name HD*  )(resid   33 and  name HB   ) 5.0 5.2 2.5
assign (resid   34 and  name HD*  )(resid   33 and  name HG*  ) 2.8 5.4 4.7
assign (resid   34 and  name HD*  )(resid   33 and  name HA   ) 3.9 4.1 2.4
assign (resid   34 and  name HD*  )(resid   30 and  name HA   ) 5.0 5.2 2.5
assign (resid   34 and  name HD*  )(resid   31 and  name HA1  ) 3.9 4.1 2.4
assign (resid   34 and  name HD*  )(resid   31 and  name HA2  ) 4.5 4.7 2.5
assign (resid   34 and  name HD*  )(resid   32 and  name HA2  ) 5.0 5.2 2.5
assign (resid   34 and  name HD*  )(resid   29 and  name HA   ) 5.0 5.2 2.5
assign (resid   34 and  name HD*  )(resid   29 and  name HD#  ) 4.5 5.7 3.5
assign (resid   34 and  name HD*  )(resid   36 and  name HG   ) 3.9 4.1 2.4
assign (resid   34 and  name HE*  )(resid   31 and  name HA1  ) 5.0 5.2 2.5
assign (resid   34 and  name HE*  )(resid   31 and  name HA2  ) 4.5 4.7 2.5
assign (resid   34 and  name HE*  )(resid   32 and  name HA2  ) 4.5 4.7 2.5
assign (resid   34 and  name HE*  )(resid   29 and  name HA   ) 5.0 5.2 2.5
assign (resid   34 and  name HE*  )(resid   33 and  name HB   ) 5.0 5.2 2.5
assign (resid   34 and  name HE*  )(resid   33 and  name HG*  ) 3.4 6.0 4.7
assign (resid   34 and  name HE*  )(resid   36 and  name HB#  ) 5.0 6.2 3.5
assign (resid   34 and  name HE*  )(resid   36 and  name HG   ) 4.5 4.7 2.5
assign (resid   34 and  name HE*  )(resid   36 and  name HD*  ) 3.9 6.5 4.8
assign (resid   34 and  name HE*  )(resid   29 and  name HD#  ) 5.0 6.2 3.5
assign (resid   34 and  name HD*  )(resid   36 and  name HN   ) 5.0 5.2 2.5
assign (resid   34 and  name HN   )(resid   36 and  name HN   ) 3.4 1.6 0.3
assign (resid   34 and  name HN   )(resid   30 and  name HA   ) 5.0 3.2 0.5
assign (resid   34 and  name HD*  )(resid   30 and  name HG*  ) 3.9 6.5 4.8                                                                              
assign (resid   35 and  name HN   )(resid   34 and  name HA   ) 3.4 1.6 0.3
assign (resid   35 and  name HN   )(resid   34 and  name HB1  ) 3.9 2.1 0.4
assign (resid   35 and  name HN   )(resid   34 and  name HB2  ) 3.4 1.6 0.3
assign (resid   35 and  name HN   )(resid   32 and  name HA2  ) 4.5 2.7 0.5
assign (resid   35 and  name HN   )(resid   33 and  name HG*  ) 4.5 5.1 2.9
assign (resid   35 and  name HN   )(resid   36 and  name HN   ) 2.8 1.0 0.3                                                                               
assign (resid   36 and  name HN   )(resid   35 and  name HA   ) 2.8 1.0 0.3
assign (resid   36 and  name HN   )(resid   35 and  name HG   ) 3.9 2.1 0.4
assign (resid   36 and  name HN   )(resid   35 and  name HB#  ) 2.8 2.0 1.3
assign (resid   36 and  name HN   )(resid   33 and  name HA   ) 4.5 2.7 0.5
assign (resid   36 and  name HN   )(resid   33 and  name HG*  ) 4.5 5.1 2.9
assign (resid   36 and  name HN   )(resid   37 and  name HD1  ) 3.9 2.1 0.4
assign (resid   36 and  name HN   )(resid   37 and  name HD2  ) 3.9 2.1 0.4
assign (resid   36 and  name HA   )(resid   37 and  name HD1  ) 3.4 1.6 0.3
assign (resid   36 and  name HA   )(resid   37 and  name HD2  ) 3.4 1.6 0.3
assign (resid   36 and  name HA   )(resid   37 and  name HG#  ) 4.5 3.7 1.5
assign (resid   36 and  name HN   )(resid   38 and  name HN   ) 5.0 3.2 0.5                                                                               
assign (resid   37 and  name HD1  )(resid   36 and  name HB#  ) 3.4 2.6 1.3
assign (resid   37 and  name HD1  )(resid   36 and  name HG   ) 3.4 1.6 0.3
assign (resid   37 and  name HD1  )(resid   36 and  name HD*  ) 3.4 4.0 2.7
assign (resid   37 and  name HD2  )(resid   36 and  name HB#  ) 3.9 3.1 1.4
assign (resid   37 and  name HD2  )(resid   36 and  name HG   ) 3.4 1.6 0.3
assign (resid   37 and  name HD2  )(resid   36 and  name HD*  ) 3.4 4.0 2.7                                                                               
assign (resid   38 and  name HN   )(resid   37 and  name HD2  ) 3.9 2.1 0.4
assign (resid   38 and  name HN   )(resid   37 and  name HB1  ) 3.9 2.1 0.4
assign (resid   38 and  name HN   )(resid   39 and  name HN   ) 2.8 1.0 0.3                                                                               
assign (resid   39 and  name HN   )(resid   38 and  name HA   ) 2.8 1.0 0.3
assign (resid   39 and  name HN   )(resid   40 and  name HN   ) 3.9 2.1 0.4                                                                               
assign (resid   40 and  name HN   )(resid   41 and  name HD1  ) 3.9 2.1 0.4
assign (resid   40 and  name HN   )(resid   41 and  name HD2  ) 3.9 2.1 0.4
assign (resid   40 and  name HA1  )(resid   41 and  name HD1  ) 3.9 2.1 0.4
assign (resid   40 and  name HA1  )(resid   41 and  name HD2  ) 3.9 2.1 0.4
assign (resid   40 and  name HA2  )(resid   41 and  name HD1  ) 2.3 0.5 0.2
assign (resid   40 and  name HA2  )(resid   41 and  name HD2  ) 2.3 0.5 0.2                                                                              
assign (resid   43 and  name HN   )(resid   44 and  name HN   ) 3.4 1.6 0.3                                                                               
assign (resid   44 and  name HN   )(resid   43 and  name HB#  ) 3.9 3.1 1.4
assign (resid   44 and  name HN   )(resid   43 and  name HA   ) 2.8 1.0 0.3

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    SER   1           HT1      SER   1 -32.246   4.402   3.497
    2   2H    SER   1           HT2      SER   1 -31.279   3.005   3.458
    3   3H    SER   1           HT3      SER   1 -31.494   3.933   2.051
    4    HA   SER   1           HA       SER   1 -29.963   5.455   2.627
    5   1HB   SER   1           HB2      SER   1 -30.519   4.948   5.558
    6   2HB   SER   1           HB1      SER   1 -29.721   6.344   4.839
    7    HG   SER   1           HG       SER   1 -31.801   6.625   3.686
    8    H    THR   2           HN       THR   2 -27.772   5.394   3.939
    9    HA   THR   2           HA       THR   2 -26.833   2.957   5.069
   10    HB   THR   2           HB       THR   2 -27.255   2.046   2.808
   11    HG1  THR   2           HG1      THR   2 -24.660   2.350   3.806
   12   1HG2  THR   2           HG2      THR   2 -26.276   4.577   2.006
   13   2HG2  THR   2           HG2      THR   2 -26.825   3.261   0.968
   14   3HG2  THR   2           HG2      THR   2 -25.122   3.383   1.411
   15    H    ASN   3           HN       ASN   3 -25.797   4.552   6.391
   16    HA   ASN   3           HA       ASN   3 -23.405   5.783   5.088
   17   1HB   ASN   3           HB2      ASN   3 -25.508   7.276   5.937
   18   2HB   ASN   3           HB1      ASN   3 -24.563   7.194   7.428
   19   1HD2  ASN   3           HD2      ASN   3 -24.003   9.509   7.185
   20   2HD2  ASN   3           HD2      ASN   3 -22.841   9.996   6.048
   21    HA   PRO   4           HA       PRO   4 -22.111   3.216   8.661
   22   1HB   PRO   4           HB2      PRO   4 -20.050   2.002   7.305
   23   2HB   PRO   4           HB1      PRO   4 -21.712   1.387   7.314
   24   1HG   PRO   4           HG2      PRO   4 -20.248   2.805   5.137
   25   2HG   PRO   4           HG1      PRO   4 -21.592   1.657   5.022
   26   1HD   PRO   4           HD2      PRO   4 -21.791   4.471   4.788
   27   2HD   PRO   4           HD1      PRO   4 -23.146   3.343   5.008
   28    H    LYS   5           HN       LYS   5 -19.683   4.390   6.291
   29    HA   LYS   5           HA       LYS   5 -18.667   6.579   7.614
   30   1HB   LYS   5           HB2      LYS   5 -18.139   5.618   9.643
   31   2HB   LYS   5           HB1      LYS   5 -17.836   4.034   8.946
   32   1HG   LYS   5           HG2      LYS   5 -15.666   4.646   8.214
   33   2HG   LYS   5           HG1      LYS   5 -16.007   6.368   8.380
   34   1HD   LYS   5           HD2      LYS   5 -16.395   4.966  10.900
   35   2HD   LYS   5           HD1      LYS   5 -14.759   4.736  10.280
   36   1HE   LYS   5           HE2      LYS   5 -14.265   7.008  10.353
   37   2HE   LYS   5           HE1      LYS   5 -15.958   7.485  10.226
   38   1HZ   LYS   5           HZ1      LYS   5 -15.019   5.998  12.587
   39   2HZ   LYS   5           HZ2      LYS   5 -16.341   7.054  12.439
   40   3HZ   LYS   5           HZ3      LYS   5 -14.758   7.671  12.486
   41    HA   PRO   6           HA       PRO   6 -15.188   4.712   4.922
   42   1HB   PRO   6           HB2      PRO   6 -15.515   2.136   4.022
   43   2HB   PRO   6           HB1      PRO   6 -14.687   2.548   5.534
   44   1HG   PRO   6           HG2      PRO   6 -17.407   1.388   5.138
   45   2HG   PRO   6           HG1      PRO   6 -16.309   1.228   6.519
   46   1HD   PRO   6           HD2      PRO   6 -18.559   2.928   6.391
   47   2HD   PRO   6           HD1      PRO   6 -17.259   3.007   7.597
   48    H    GLN   7           HN       GLN   7 -15.063   4.909   2.626
   49    HA   GLN   7           HA       GLN   7 -17.694   5.136   1.276
   50   1HB   GLN   7           HB2      GLN   7 -14.909   6.036   0.483
   51   2HB   GLN   7           HB1      GLN   7 -16.341   6.259  -0.523
   52   1HG   GLN   7           HG2      GLN   7 -17.339   7.744   1.013
   53   2HG   GLN   7           HG1      GLN   7 -16.289   7.225   2.333
   54   1HE2  GLN   7           HE2      GLN   7 -15.376   8.155  -1.020
   55   2HE2  GLN   7           HE2      GLN   7 -14.367   9.436  -0.551
   56    H    ARG   8           HN       ARG   8 -14.884   3.113   1.371
   57    HA   ARG   8           HA       ARG   8 -15.479   1.875  -1.243
   58   1HB   ARG   8           HB2      ARG   8 -13.386   1.317   0.877
   59   2HB   ARG   8           HB1      ARG   8 -13.544   0.374  -0.605
   60   1HG   ARG   8           HG2      ARG   8 -12.618   2.006  -1.882
   61   2HG   ARG   8           HG1      ARG   8 -13.503   3.283  -1.048
   62   1HD   ARG   8           HD2      ARG   8 -11.668   2.249   0.836
   63   2HD   ARG   8           HD1      ARG   8 -10.769   2.440  -0.670
   64    HE   ARG   8           HE       ARG   8 -11.566   4.587   1.008
   65   1HH1  ARG   8           HH1      ARG   8  -9.595   5.054  -1.097
   66   2HH1  ARG   8           HH1      ARG   8 -10.455   6.017  -2.252
   67   1HH2  ARG   8           HH2      ARG   8 -13.584   5.205  -0.996
   68   2HH2  ARG   8           HH2      ARG   8 -12.713   6.103  -2.194
   69    H    LYS   9           HN       LYS   9 -16.238  -0.275  -1.464
   70    HA   LYS   9           HA       LYS   9 -16.669  -2.104   0.670
   71   1HB   LYS   9           HB2      LYS   9 -18.258  -0.265   1.385
   72   2HB   LYS   9           HB1      LYS   9 -19.181  -0.586  -0.084
   73   1HG   LYS   9           HG2      LYS   9 -20.295  -2.006   1.350
   74   2HG   LYS   9           HG1      LYS   9 -19.014  -3.099   0.824
   75   1HD   LYS   9           HD2      LYS   9 -17.656  -2.169   2.811
   76   2HD   LYS   9           HD1      LYS   9 -19.193  -1.528   3.395
   77   1HE   LYS   9           HE2      LYS   9 -18.738  -4.438   2.680
   78   2HE   LYS   9           HE1      LYS   9 -18.632  -3.798   4.320
   79   1HZ   LYS   9           HZ1      LYS   9 -21.028  -3.001   2.969
   80   2HZ   LYS   9           HZ2      LYS   9 -20.832  -3.720   4.496
   81   3HZ   LYS   9           HZ3      LYS   9 -20.893  -4.687   3.100
   82    H    THR  10           HN       THR  10 -18.306  -0.845  -2.252
   83    HA   THR  10           HA       THR  10 -18.914  -3.585  -3.139
   84    HB   THR  10           HB       THR  10 -19.477  -1.929  -5.270
   85    HG1  THR  10           HG1      THR  10 -18.938  -0.084  -4.144
   86   1HG2  THR  10           HG2      THR  10 -21.438  -2.132  -3.017
   87   2HG2  THR  10           HG2      THR  10 -20.866  -3.614  -3.781
   88   3HG2  THR  10           HG2      THR  10 -21.688  -2.386  -4.744
   89    H    LYS  11           HN       LYS  11 -17.606  -0.970  -5.141
   90    HA   LYS  11           HA       LYS  11 -16.173  -2.462  -6.955
   91   1HB   LYS  11           HB2      LYS  11 -15.880   0.259  -5.841
   92   2HB   LYS  11           HB1      LYS  11 -14.422  -0.393  -6.589
   93   1HG   LYS  11           HG2      LYS  11 -15.950   0.853  -8.177
   94   2HG   LYS  11           HG1      LYS  11 -15.576  -0.800  -8.664
   95   1HD   LYS  11           HD2      LYS  11 -17.704  -1.578  -8.165
   96   2HD   LYS  11           HD1      LYS  11 -17.993  -0.322  -6.961
   97   1HE   LYS  11           HE2      LYS  11 -17.563   0.740  -9.664
   98   2HE   LYS  11           HE1      LYS  11 -18.981  -0.301  -9.539
   99   1HZ   LYS  11           HZ1      LYS  11 -18.365   2.102  -7.915
  100   2HZ   LYS  11           HZ2      LYS  11 -19.623   1.021  -7.548
  101   3HZ   LYS  11           HZ3      LYS  11 -19.649   1.896  -9.004
  102    H    ARG  12           HN       ARG  12 -14.624  -1.095  -4.017
  103    HA   ARG  12           HA       ARG  12 -12.850  -1.935  -2.729
  104   1HB   ARG  12           HB2      ARG  12 -14.456  -4.168  -3.420
  105   2HB   ARG  12           HB1      ARG  12 -12.780  -4.659  -3.667
  106   1HG   ARG  12           HG2      ARG  12 -12.186  -4.119  -1.420
  107   2HG   ARG  12           HG1      ARG  12 -13.695  -3.245  -1.156
  108   1HD   ARG  12           HD2      ARG  12 -14.979  -5.274  -1.217
  109   2HD   ARG  12           HD1      ARG  12 -13.593  -6.204  -1.788
  110    HE   ARG  12           HE       ARG  12 -13.100  -4.929   0.784
  111   1HH1  ARG  12           HH2      ARG  12 -12.114  -7.647  -0.164
  112   2HH1  ARG  12           HH2      ARG  12 -13.016  -8.711   0.863
  113   1HH2  ARG  12           HH1      ARG  12 -15.299  -6.284   1.820
  114   2HH2  ARG  12           HH1      ARG  12 -14.818  -7.940   1.986
  115    H    ASN  13           HN       ASN  13 -10.774  -3.558  -3.183
  116    HA   ASN  13           HA       ASN  13  -9.078  -2.261  -4.950
  117   1HB   ASN  13           HB2      ASN  13  -9.084  -5.229  -4.317
  118   2HB   ASN  13           HB1      ASN  13  -7.718  -4.331  -4.982
  119   1HD2  ASN  13           HD2      ASN  13  -7.997  -5.715  -2.292
  120   2HD2  ASN  13           HD2      ASN  13  -7.655  -4.510  -1.146
  121    H    THR  14           HN       THR  14  -8.143  -3.209  -7.060
  122    HA   THR  14           HA       THR  14  -9.771  -4.910  -8.707
  123    HB   THR  14           HB       THR  14 -10.035  -2.501 -10.166
  124    HG1  THR  14           HG1      THR  14 -10.679  -1.068  -8.773
  125   1HG2  THR  14           HG2      THR  14 -12.185  -3.945  -8.604
  126   2HG2  THR  14           HG2      THR  14 -11.494  -4.578 -10.098
  127   3HG2  THR  14           HG2      THR  14 -12.369  -3.046 -10.111
  128    H    ASN  15           HN       ASN  15  -7.435  -2.234  -8.611
  129    HA   ASN  15           HA       ASN  15  -5.985  -3.585 -10.855
  130   1HB   ASN  15           HB2      ASN  15  -4.946  -1.192 -11.092
  131   2HB   ASN  15           HB1      ASN  15  -6.558  -1.492 -11.741
  132   1HD2  ASN  15           HD2      ASN  15  -4.820  -0.038  -8.986
  133   2HD2  ASN  15           HD2      ASN  15  -6.122   0.913  -8.456
  134    H    ARG  16           HN       ARG  16  -3.672  -3.703 -10.648
  135    HA   ARG  16           HA       ARG  16  -2.734  -3.925  -7.910
  136   1HB   ARG  16           HB2      ARG  16  -1.945  -4.769 -10.593
  137   2HB   ARG  16           HB1      ARG  16  -0.581  -4.204  -9.641
  138   1HG   ARG  16           HG2      ARG  16  -2.238  -5.786  -7.942
  139   2HG   ARG  16           HG1      ARG  16  -1.967  -6.690  -9.432
  140   1HD   ARG  16           HD2      ARG  16   0.537  -5.838  -9.051
  141   2HD   ARG  16           HD1      ARG  16   0.002  -5.797  -7.371
  142    HE   ARG  16           HE       ARG  16   0.583  -8.180  -8.872
  143   1HH1  ARG  16           HH2      ARG  16  -2.476  -8.006  -8.190
  144   2HH1  ARG  16           HH2      ARG  16  -2.507  -8.984  -6.760
  145   1HH2  ARG  16           HH1      ARG  16   0.934  -8.930  -6.328
  146   2HH2  ARG  16           HH1      ARG  16  -0.577  -9.507  -5.707
  147    H    ARG  17           HN       ARG  17  -0.349  -3.069  -7.739
  148    HA   ARG  17           HA       ARG  17   1.168  -1.172  -8.328
  149   1HB   ARG  17           HB2      ARG  17  -0.502   0.045  -9.682
  150   2HB   ARG  17           HB1      ARG  17  -1.399   0.445  -8.221
  151   1HG   ARG  17           HG2      ARG  17   0.036   2.325  -8.839
  152   2HG   ARG  17           HG1      ARG  17   0.609   1.610  -7.332
  153   1HD   ARG  17           HD2      ARG  17   2.506   2.030  -8.826
  154   2HD   ARG  17           HD1      ARG  17   2.282   0.294  -8.615
  155    HE   ARG  17           HE       ARG  17   0.909   1.414 -10.953
  156   1HH1  ARG  17           HH1      ARG  17   4.133   1.414 -10.417
  157   2HH1  ARG  17           HH1      ARG  17   4.549   0.200 -11.580
  158   1HH2  ARG  17           HH2      ARG  17   1.267  -0.775 -12.128
  159   2HH2  ARG  17           HH2      ARG  17   2.926  -1.039 -12.550
  160    HA   PRO  18           HA       PRO  18  -0.144   0.212  -3.963
  161   1HB   PRO  18           HB2      PRO  18  -2.500  -0.755  -2.969
  162   2HB   PRO  18           HB1      PRO  18  -2.379   0.743  -3.879
  163   1HG   PRO  18           HG2      PRO  18  -3.497  -1.854  -4.746
  164   2HG   PRO  18           HG1      PRO  18  -3.857  -0.227  -5.344
  165   1HD   PRO  18           HD2      PRO  18  -2.160  -2.156  -6.565
  166   2HD   PRO  18           HD1      PRO  18  -2.363  -0.462  -7.054
  167    H    GLN  19           HN       GLN  19  -0.993  -2.829  -5.140
  168    HA   GLN  19           HA       GLN  19  -0.376  -4.360  -2.745
  169   1HB   GLN  19           HB2      GLN  19  -1.571  -4.735  -5.325
  170   2HB   GLN  19           HB1      GLN  19  -0.524  -6.047  -4.846
  171   1HG   GLN  19           HG2      GLN  19  -2.008  -6.797  -3.332
  172   2HG   GLN  19           HG1      GLN  19  -2.132  -5.188  -2.621
  173   1HE2  GLN  19           HE2      GLN  19  -3.653  -3.638  -3.757
  174   2HE2  GLN  19           HE2      GLN  19  -5.009  -4.271  -4.558
  175    H    ASP  20           HN       ASP  20   1.624  -2.866  -3.638
  176    HA   ASP  20           HA       ASP  20   3.779  -4.818  -4.019
  177   1HB   ASP  20           HB2      ASP  20   3.347  -4.293  -6.281
  178   2HB   ASP  20           HB1      ASP  20   3.155  -2.593  -5.958
  179    H    VAL  21           HN       VAL  21   2.851  -1.399  -3.816
  180    HA   VAL  21           HA       VAL  21   5.437  -0.759  -2.795
  181    HB   VAL  21           HB       VAL  21   2.993   1.002  -2.583
  182   1HG1  VAL  21           HG1      VAL  21   4.517   2.382  -1.649
  183   2HG1  VAL  21           HG1      VAL  21   5.274   2.484  -3.238
  184   3HG1  VAL  21           HG1      VAL  21   5.844   1.298  -2.064
  185   1HG2  VAL  21           HG2      VAL  21   2.900   0.916  -4.844
  186   2HG2  VAL  21           HG2      VAL  21   4.419   0.025  -4.942
  187   3HG2  VAL  21           HG2      VAL  21   4.435   1.785  -4.836
  188    H    LYS  22           HN       LYS  22   3.101  -2.439  -1.428
  189    HA   LYS  22           HA       LYS  22   3.446  -1.335   1.252
  190   1HB   LYS  22           HB2      LYS  22   1.658  -3.047   1.775
  191   2HB   LYS  22           HB1      LYS  22   1.149  -1.800   0.625
  192   1HG   LYS  22           HG2      LYS  22   1.205  -3.226  -1.164
  193   2HG   LYS  22           HG1      LYS  22   2.538  -4.148  -0.478
  194   1HD   LYS  22           HD2      LYS  22   0.343  -5.386  -0.576
  195   2HD   LYS  22           HD1      LYS  22   1.112  -5.326   1.011
  196   1HE   LYS  22           HE2      LYS  22  -0.455  -3.845   1.866
  197   2HE   LYS  22           HE1      LYS  22  -0.820  -3.157   0.284
  198   1HZ   LYS  22           HZ1      LYS  22  -2.640  -4.520   1.051
  199   2HZ   LYS  22           HZ2      LYS  22  -1.607  -5.855   1.243
  200   3HZ   LYS  22           HZ3      LYS  22  -1.922  -5.237  -0.308
  201    H    PHE  23           HN       PHE  23   5.032  -3.166  -0.769
  202    HA   PHE  23           HA       PHE  23   6.324  -5.063  -0.747
  203   1HB   PHE  23           HB2      PHE  23   6.748  -3.953   1.970
  204   2HB   PHE  23           HB1      PHE  23   7.870  -4.983   1.080
  205    HD1  PHE  23           HD1      PHE  23   9.129  -4.172  -0.795
  206    HD2  PHE  23           HD2      PHE  23   6.121  -1.733   1.050
  207    HE1  PHE  23           HE1      PHE  23   9.773  -2.280  -2.247
  208    HE2  PHE  23           HE2      PHE  23   6.771   0.168  -0.381
  209    HZ   PHE  23           HZ       PHE  23   8.611  -0.093  -2.035
  210    HA   PRO  24           HA       PRO  24   2.907  -7.302   1.187
  211   1HB   PRO  24           HB2      PRO  24   2.127  -8.323  -1.228
  212   2HB   PRO  24           HB1      PRO  24   1.592  -6.745  -0.624
  213   1HG   PRO  24           HG2      PRO  24   3.583  -7.372  -2.752
  214   2HG   PRO  24           HG1      PRO  24   2.512  -5.969  -2.579
  215   1HD   PRO  24           HD2      PRO  24   5.244  -6.027  -1.898
  216   2HD   PRO  24           HD1      PRO  24   4.079  -4.799  -1.381
  217    H    GLY  25           HN       GLY  25   2.850  -9.598   1.552
  218   1HA   GLY  25           HA2      GLY  25   3.816 -11.728   1.780
  219   2HA   GLY  25           HA1      GLY  25   4.287 -11.555   0.087
  220    H    GLY  26           HN       GLY  26   5.252 -10.347   3.313
  221   1HA   GLY  26           HA2      GLY  26   7.499 -10.611   4.193
  222   2HA   GLY  26           HA1      GLY  26   8.085 -10.827   2.542
  223    H    GLY  27           HN       GLY  27   6.425  -8.338   4.521
  224   1HA   GLY  27           HA2      GLY  27   8.254  -6.306   4.323
  225   2HA   GLY  27           HA1      GLY  27   7.291  -6.180   2.842
  226    H    GLN  28           HN       GLN  28   7.291  -5.676   6.242
  227    HA   GLN  28           HA       GLN  28   4.632  -5.636   6.966
  228   1HB   GLN  28           HB2      GLN  28   6.493  -3.382   7.692
  229   2HB   GLN  28           HB1      GLN  28   5.271  -4.164   8.668
  230   1HG   GLN  28           HG2      GLN  28   6.951  -6.255   7.984
  231   2HG   GLN  28           HG1      GLN  28   8.051  -4.911   8.292
  232   1HE2  GLN  28           HE2      GLN  28   6.906  -3.526  10.360
  233   2HE2  GLN  28           HE2      GLN  28   6.680  -4.522  11.716
  234    H    ILE  29           HN       ILE  29   6.026  -3.827   4.443
  235    HA   ILE  29           HA       ILE  29   5.013  -2.365   2.926
  236    HB   ILE  29           HB       ILE  29   2.750  -2.073   2.872
  237   1HG1  ILE  29           HG1      ILE  29   1.486  -1.938   5.248
  238   2HG1  ILE  29           HG1      ILE  29   3.078  -1.367   5.749
  239   1HG2  ILE  29           HG2      ILE  29   3.442  -4.500   4.001
  240   2HG2  ILE  29           HG2      ILE  29   1.873  -4.096   3.313
  241   3HG2  ILE  29           HG2      ILE  29   2.147  -3.926   5.046
  242   1HD1  ILE  29           HD1      ILE  29   1.127   0.200   4.581
  243   2HD1  ILE  29           HD1      ILE  29   2.182  -0.185   3.221
  244   3HD1  ILE  29           HD1      ILE  29   2.844   0.597   4.657
  245    H    VAL  30           HN       VAL  30   5.877  -1.787   6.073
  246    HA   VAL  30           HA       VAL  30   5.588   1.146   5.691
  247    HB   VAL  30           HB       VAL  30   6.249  -0.452   8.180
  248   1HG1  VAL  30           HG1      VAL  30   7.165   1.598   8.699
  249   2HG1  VAL  30           HG1      VAL  30   5.485   1.959   9.094
  250   3HG1  VAL  30           HG1      VAL  30   6.153   2.459   7.540
  251   1HG2  VAL  30           HG2      VAL  30   3.710   0.806   7.129
  252   2HG2  VAL  30           HG2      VAL  30   3.933   0.475   8.847
  253   3HG2  VAL  30           HG2      VAL  30   3.961  -0.850   7.683
  254    H    GLY  31           HN       GLY  31   7.684  -1.003   4.718
  255   1HA   GLY  31           HA2      GLY  31   9.994   0.680   5.488
  256   2HA   GLY  31           HA1      GLY  31  10.159  -1.055   5.513
  257    H    GLY  32           HN       GLY  32   8.440  -1.150   2.949
  258   1HA   GLY  32           HA2      GLY  32  10.750  -0.747   1.242
  259   2HA   GLY  32           HA1      GLY  32   9.261  -1.438   0.677
  260    H    VAL  33           HN       VAL  33   7.914   0.915   2.010
  261    HA   VAL  33           HA       VAL  33   7.999   2.758  -0.264
  262    HB   VAL  33           HB       VAL  33   6.611   2.775   2.430
  263   1HG1  VAL  33           HG1      VAL  33   7.229   5.091   1.929
  264   2HG1  VAL  33           HG1      VAL  33   5.497   4.878   1.674
  265   3HG1  VAL  33           HG1      VAL  33   6.591   4.933   0.292
  266   1HG2  VAL  33           HG2      VAL  33   4.826   3.151   0.271
  267   2HG2  VAL  33           HG2      VAL  33   5.038   1.689   1.233
  268   3HG2  VAL  33           HG2      VAL  33   5.960   1.906  -0.255
  269    H    TYR  34           HN       TYR  34   9.723   2.096   2.441
  270    HA   TYR  34           HA       TYR  34  10.930   4.767   2.807
  271   1HB   TYR  34           HB2      TYR  34  11.166   2.235   4.476
  272   2HB   TYR  34           HB1      TYR  34  11.573   3.876   4.978
  273    HD1  TYR  34           HD1      TYR  34   8.770   1.686   3.900
  274    HD2  TYR  34           HD2      TYR  34   9.889   5.406   5.710
  275    HE1  TYR  34           HE1      TYR  34   6.413   2.131   4.395
  276    HE2  TYR  34           HE2      TYR  34   7.522   5.847   6.237
  277    HH   TYR  34           HH       TYR  34   5.025   4.461   4.829
  278    H    LEU  35           HN       LEU  35  11.284   1.751   1.351
  279    HA   LEU  35           HA       LEU  35  14.227   1.779   1.230
  280   1HB   LEU  35           HB2      LEU  35  12.024  -0.073   0.278
  281   2HB   LEU  35           HB1      LEU  35  13.692  -0.293  -0.248
  282    HG   LEU  35           HG       LEU  35  13.095   0.076   2.655
  283   1HD1  LEU  35           HD1      LEU  35  12.231  -2.168   0.991
  284   2HD1  LEU  35           HD1      LEU  35  11.832  -1.806   2.670
  285   3HD1  LEU  35           HD1      LEU  35  13.313  -2.682   2.285
  286   1HD2  LEU  35           HD2      LEU  35  15.370  -0.519   1.016
  287   2HD2  LEU  35           HD2      LEU  35  15.073  -1.900   2.072
  288   3HD2  LEU  35           HD2      LEU  35  15.314  -0.296   2.765
  289    H    LEU  36           HN       LEU  36  11.860   3.483  -0.048
  290    HA   LEU  36           HA       LEU  36  12.602   3.382  -2.879
  291   1HB   LEU  36           HB2      LEU  36  10.658   5.295  -1.585
  292   2HB   LEU  36           HB1      LEU  36  10.712   4.781  -3.266
  293    HG   LEU  36           HG       LEU  36   9.909   3.165  -0.854
  294   1HD1  LEU  36           HD1      LEU  36   7.866   2.816  -2.185
  295   2HD1  LEU  36           HD1      LEU  36   8.561   3.755  -3.506
  296   3HD1  LEU  36           HD1      LEU  36   8.181   4.538  -1.972
  297   1HD2  LEU  36           HD2      LEU  36  11.146   1.532  -1.948
  298   2HD2  LEU  36           HD2      LEU  36  10.944   2.291  -3.526
  299   3HD2  LEU  36           HD2      LEU  36   9.616   1.378  -2.810
  300    HA   PRO  37           HA       PRO  37  13.983   7.834  -1.819
  301   1HB   PRO  37           HB2      PRO  37  14.239   8.466   0.843
  302   2HB   PRO  37           HB1      PRO  37  12.752   8.717  -0.088
  303   1HG   PRO  37           HG2      PRO  37  13.354   6.636   1.957
  304   2HG   PRO  37           HG1      PRO  37  11.789   7.301   1.459
  305   1HD   PRO  37           HD2      PRO  37  12.884   4.808   0.656
  306   2HD   PRO  37           HD1      PRO  37  11.461   5.598  -0.038
  307    H    ARG  38           HN       ARG  38  15.111   5.877   0.981
  308    HA   ARG  38           HA       ARG  38  17.884   6.680   0.428
  309   1HB   ARG  38           HB2      ARG  38  18.422   5.653   2.504
  310   2HB   ARG  38           HB1      ARG  38  16.842   6.396   2.753
  311   1HG   ARG  38           HG2      ARG  38  15.752   4.221   2.295
  312   2HG   ARG  38           HG1      ARG  38  17.338   3.479   2.085
  313   1HD   ARG  38           HD2      ARG  38  16.363   3.151   4.382
  314   2HD   ARG  38           HD1      ARG  38  17.936   3.949   4.382
  315    HE   ARG  38           HE       ARG  38  15.349   5.418   4.712
  316   1HH1  ARG  38           HH1      ARG  38  17.183   4.635   7.045
  317   2HH1  ARG  38           HH1      ARG  38  18.030   6.124   7.304
  318   1HH2  ARG  38           HH2      ARG  38  17.103   7.489   4.255
  319   2HH2  ARG  38           HH2      ARG  38  17.985   7.739   5.725
  320    H    ARG  39           HN       ARG  39  16.422   4.956  -1.539
  321    HA   ARG  39           HA       ARG  39  17.181   2.253  -1.428
  322   1HB   ARG  39           HB2      ARG  39  15.907   3.756  -3.272
  323   2HB   ARG  39           HB1      ARG  39  17.482   3.616  -4.055
  324   1HG   ARG  39           HG2      ARG  39  16.369   1.119  -2.892
  325   2HG   ARG  39           HG1      ARG  39  15.551   1.747  -4.323
  326   1HD   ARG  39           HD2      ARG  39  17.179   0.566  -5.418
  327   2HD   ARG  39           HD1      ARG  39  18.126   2.022  -5.111
  328    HE   ARG  39           HE       ARG  39  19.142   0.862  -3.185
  329   1HH1  ARG  39           HH1      ARG  39  16.607  -1.121  -3.727
  330   2HH1  ARG  39           HH1      ARG  39  17.510  -2.582  -3.948
  331   1HH2  ARG  39           HH2      ARG  39  20.573  -0.970  -4.156
  332   2HH2  ARG  39           HH2      ARG  39  19.756  -2.496  -4.191
  333    H    GLY  40           HN       GLY  40  19.260   1.976  -0.540
  334   1HA   GLY  40           HA2      GLY  40  21.572   1.585  -0.775
  335   2HA   GLY  40           HA1      GLY  40  21.469   2.212  -2.421
  336    HA   PRO  41           HA       PRO  41  22.015   6.008   0.452
  337   1HB   PRO  41           HB2      PRO  41  22.418   5.477   3.118
  338   2HB   PRO  41           HB1      PRO  41  20.817   5.736   2.403
  339   1HG   PRO  41           HG2      PRO  41  22.071   3.194   3.317
  340   2HG   PRO  41           HG1      PRO  41  20.356   3.607   3.167
  341   1HD   PRO  41           HD2      PRO  41  21.872   2.036   1.347
  342   2HD   PRO  41           HD1      PRO  41  20.238   2.678   1.075
  343    H    ARG  42           HN       ARG  42  23.888   3.196   0.401
  344    HA   ARG  42           HA       ARG  42  26.336   4.717   1.209
  345   1HB   ARG  42           HB2      ARG  42  27.326   2.363   1.491
  346   2HB   ARG  42           HB1      ARG  42  26.133   2.863   2.691
  347   1HG   ARG  42           HG2      ARG  42  24.367   1.690   1.397
  348   2HG   ARG  42           HG1      ARG  42  25.593   1.143   0.253
  349   1HD   ARG  42           HD2      ARG  42  25.522   0.506   3.217
  350   2HD   ARG  42           HD1      ARG  42  25.135  -0.613   1.909
  351    HE   ARG  42           HE       ARG  42  27.786   0.502   1.586
  352   1HH1  ARG  42           HH2      ARG  42  26.559  -2.394   1.367
  353   2HH1  ARG  42           HH2      ARG  42  27.573  -3.214   2.506
  354   1HH2  ARG  42           HH1      ARG  42  28.821  -0.295   3.899
  355   2HH2  ARG  42           HH1      ARG  42  28.854  -2.026   3.939
  356    H    LEU  43           HN       LEU  43  27.083   5.505  -0.741
  357    HA   LEU  43           HA       LEU  43  27.586   3.473  -2.876
  358   1HB   LEU  43           HB2      LEU  43  26.760   6.365  -3.281
  359   2HB   LEU  43           HB1      LEU  43  27.138   5.213  -4.562
  360    HG   LEU  43           HG       LEU  43  25.224   3.989  -2.835
  361   1HD1  LEU  43           HD1      LEU  43  23.457   5.902  -3.675
  362   2HD1  LEU  43           HD1      LEU  43  24.854   6.891  -3.251
  363   3HD1  LEU  43           HD1      LEU  43  24.129   5.825  -2.047
  364   1HD2  LEU  43           HD2      LEU  43  23.870   4.603  -5.121
  365   2HD2  LEU  43           HD2      LEU  43  25.008   3.262  -4.991
  366   3HD2  LEU  43           HD2      LEU  43  25.535   4.804  -5.667
  367    H    GLY  44           HN       GLY  44  29.195   4.886  -0.632
  368   1HA   GLY  44           HA2      GLY  44  31.737   4.819  -1.522
  369   2HA   GLY  44           HA1      GLY  44  31.207   6.349  -2.223
  Start of MODEL    2
    1   1H    SER   1           HT1      SER   1 -23.776  -8.924   6.231
    2   2H    SER   1           HT2      SER   1 -22.902  -7.917   7.282
    3   3H    SER   1           HT3      SER   1 -22.098  -8.767   6.050
    4    HA   SER   1           HA       SER   1 -24.215  -7.090   5.068
    5   1HB   SER   1           HB2      SER   1 -23.003  -5.927   7.155
    6   2HB   SER   1           HB1      SER   1 -21.784  -5.586   5.930
    7    HG   SER   1           HG       SER   1 -24.550  -5.089   5.556
    8    H    THR   2           HN       THR   2 -23.485  -6.175   3.028
    9    HA   THR   2           HA       THR   2 -22.289  -6.273   1.013
   10    HB   THR   2           HB       THR   2 -20.017  -6.702   2.973
   11    HG1  THR   2           HG1      THR   2 -20.668  -4.437   1.416
   12   1HG2  THR   2           HG2      THR   2 -20.109  -6.915   0.073
   13   2HG2  THR   2           HG2      THR   2 -18.785  -7.286   1.179
   14   3HG2  THR   2           HG2      THR   2 -19.012  -5.637   0.596
   15    H    ASN   3           HN       ASN   3 -20.085  -8.536   2.559
   16    HA   ASN   3           HA       ASN   3 -21.495 -10.914   1.651
   17   1HB   ASN   3           HB2      ASN   3 -20.458  -9.830  -0.460
   18   2HB   ASN   3           HB1      ASN   3 -18.903 -10.331   0.216
   19   1HD2  ASN   3           HD2      ASN   3 -18.256 -12.390  -0.410
   20   2HD2  ASN   3           HD2      ASN   3 -19.298 -13.636  -0.901
   21    HA   PRO   4           HA       PRO   4 -18.416 -11.590   4.974
   22   1HB   PRO   4           HB2      PRO   4 -20.176 -12.925   6.609
   23   2HB   PRO   4           HB1      PRO   4 -19.984 -11.164   6.610
   24   1HG   PRO   4           HG2      PRO   4 -22.200 -12.810   5.482
   25   2HG   PRO   4           HG1      PRO   4 -22.230 -11.137   6.065
   26   1HD   PRO   4           HD2      PRO   4 -22.146 -11.950   3.352
   27   2HD   PRO   4           HD1      PRO   4 -21.852 -10.306   3.962
   28    H    LYS   5           HN       LYS   5 -17.817 -13.085   2.975
   29    HA   LYS   5           HA       LYS   5 -18.833 -15.818   3.100
   30   1HB   LYS   5           HB2      LYS   5 -17.334 -14.255   1.255
   31   2HB   LYS   5           HB1      LYS   5 -16.353 -15.660   1.673
   32   1HG   LYS   5           HG2      LYS   5 -18.791 -16.833   1.381
   33   2HG   LYS   5           HG1      LYS   5 -18.925 -15.521   0.210
   34   1HD   LYS   5           HD2      LYS   5 -17.641 -16.677  -1.228
   35   2HD   LYS   5           HD1      LYS   5 -16.321 -16.657  -0.057
   36   1HE   LYS   5           HE2      LYS   5 -16.578 -18.873   0.224
   37   2HE   LYS   5           HE1      LYS   5 -18.196 -18.577   0.862
   38   1HZ   LYS   5           HZ1      LYS   5 -19.030 -18.576  -1.425
   39   2HZ   LYS   5           HZ2      LYS   5 -18.302 -20.057  -1.019
   40   3HZ   LYS   5           HZ3      LYS   5 -17.474 -18.940  -1.997
   41    HA   PRO   6           HA       PRO   6 -14.522 -16.654   4.968
   42   1HB   PRO   6           HB2      PRO   6 -12.928 -14.485   5.528
   43   2HB   PRO   6           HB1      PRO   6 -12.910 -15.340   3.975
   44   1HG   PRO   6           HG2      PRO   6 -14.082 -12.682   4.640
   45   2HG   PRO   6           HG1      PRO   6 -13.497 -13.292   3.084
   46   1HD   PRO   6           HD2      PRO   6 -16.207 -13.101   3.887
   47   2HD   PRO   6           HD1      PRO   6 -15.593 -13.983   2.472
   48    H    GLN   7           HN       GLN   7 -13.772 -16.657   7.231
   49    HA   GLN   7           HA       GLN   7 -15.682 -15.240   9.028
   50   1HB   GLN   7           HB2      GLN   7 -14.039 -17.753   9.287
   51   2HB   GLN   7           HB1      GLN   7 -14.654 -16.935  10.722
   52   1HG   GLN   7           HG2      GLN   7 -16.952 -17.030   9.730
   53   2HG   GLN   7           HG1      GLN   7 -16.295 -17.986   8.401
   54   1HE2  GLN   7           HE2      GLN   7 -18.277 -18.902  10.415
   55   2HE2  GLN   7           HE2      GLN   7 -17.563 -20.217  11.216
   56    H    ARG   8           HN       ARG   8 -14.839 -13.345   9.770
   57    HA   ARG   8           HA       ARG   8 -13.269 -11.795  10.581
   58   1HB   ARG   8           HB2      ARG   8 -12.794 -14.360  11.960
   59   2HB   ARG   8           HB1      ARG   8 -11.422 -13.252  11.994
   60   1HG   ARG   8           HG2      ARG   8 -13.153 -11.450  12.676
   61   2HG   ARG   8           HG1      ARG   8 -14.215 -12.811  13.041
   62   1HD   ARG   8           HD2      ARG   8 -11.405 -12.642  14.138
   63   2HD   ARG   8           HD1      ARG   8 -12.779 -11.921  14.978
   64    HE   ARG   8           HE       ARG   8 -12.732 -14.832  14.297
   65   1HH1  ARG   8           HH1      ARG   8 -15.121 -13.489  15.607
   66   2HH1  ARG   8           HH1      ARG   8 -14.860 -13.880  17.274
   67   1HH2  ARG   8           HH2      ARG   8 -11.542 -14.780  16.818
   68   2HH2  ARG   8           HH2      ARG   8 -12.833 -14.610  17.959
   69    H    LYS   9           HN       LYS   9 -12.643 -11.841   8.144
   70    HA   LYS   9           HA       LYS   9  -9.777 -11.747   7.961
   71   1HB   LYS   9           HB2      LYS   9  -9.812 -14.139   7.842
   72   2HB   LYS   9           HB1      LYS   9 -11.185 -14.130   6.736
   73   1HG   LYS   9           HG2      LYS   9  -9.881 -13.715   4.918
   74   2HG   LYS   9           HG1      LYS   9  -8.838 -12.600   5.802
   75   1HD   LYS   9           HD2      LYS   9  -7.701 -14.495   6.880
   76   2HD   LYS   9           HD1      LYS   9  -8.758 -15.623   6.030
   77   1HE   LYS   9           HE2      LYS   9  -7.651 -15.374   4.051
   78   2HE   LYS   9           HE1      LYS   9  -7.361 -13.655   4.315
   79   1HZ   LYS   9           HZ1      LYS   9  -5.971 -15.414   6.138
   80   2HZ   LYS   9           HZ2      LYS   9  -5.405 -14.050   5.296
   81   3HZ   LYS   9           HZ3      LYS   9  -5.485 -15.559   4.519
   82    H    THR  10           HN       THR  10  -9.128 -10.758   5.968
   83    HA   THR  10           HA       THR  10 -11.136 -10.341   3.865
   84    HB   THR  10           HB       THR  10  -9.988  -7.842   5.064
   85    HG1  THR  10           HG1      THR  10 -12.279  -7.963   6.100
   86   1HG2  THR  10           HG2      THR  10 -12.443  -8.610   3.480
   87   2HG2  THR  10           HG2      THR  10 -11.122  -7.550   2.989
   88   3HG2  THR  10           HG2      THR  10 -12.262  -7.024   4.229
   89    H    LYS  11           HN       LYS  11 -10.170  -9.691   1.913
   90    HA   LYS  11           HA       LYS  11  -7.501  -8.642   1.720
   91   1HB   LYS  11           HB2      LYS  11  -6.960 -10.958   2.483
   92   2HB   LYS  11           HB1      LYS  11  -7.796 -11.588   1.063
   93   1HG   LYS  11           HG2      LYS  11  -6.244 -10.367  -0.408
   94   2HG   LYS  11           HG1      LYS  11  -5.411  -9.715   1.003
   95   1HD   LYS  11           HD2      LYS  11  -4.787 -11.976   1.713
   96   2HD   LYS  11           HD1      LYS  11  -5.673 -12.666   0.353
   97   1HE   LYS  11           HE2      LYS  11  -4.190 -11.500  -1.225
   98   2HE   LYS  11           HE1      LYS  11  -3.311 -10.777   0.124
   99   1HZ   LYS  11           HZ1      LYS  11  -2.048 -12.578   0.151
  100   2HZ   LYS  11           HZ2      LYS  11  -2.999 -13.339  -1.032
  101   3HZ   LYS  11           HZ3      LYS  11  -3.396 -13.497   0.612
  102    H    ARG  12           HN       ARG  12  -9.704 -10.887   0.002
  103    HA   ARG  12           HA       ARG  12 -10.613 -10.745  -2.157
  104   1HB   ARG  12           HB2      ARG  12  -9.917  -7.816  -1.773
  105   2HB   ARG  12           HB1      ARG  12 -10.916  -8.450  -3.081
  106   1HG   ARG  12           HG2      ARG  12 -11.513  -8.668  -0.115
  107   2HG   ARG  12           HG1      ARG  12 -12.346  -7.624  -1.269
  108   1HD   ARG  12           HD2      ARG  12 -12.565 -10.046  -2.512
  109   2HD   ARG  12           HD1      ARG  12 -12.622 -10.532  -0.817
  110    HE   ARG  12           HE       ARG  12 -14.377  -8.290  -1.296
  111   1HH1  ARG  12           HH2      ARG  12 -14.566 -11.174   0.080
  112   2HH1  ARG  12           HH2      ARG  12 -16.001 -11.739  -0.709
  113   1HH2  ARG  12           HH1      ARG  12 -15.992  -9.232  -3.104
  114   2HH2  ARG  12           HH1      ARG  12 -16.807 -10.641  -2.510
  115    H    ASN  13           HN       ASN  13  -9.651 -11.380  -4.034
  116    HA   ASN  13           HA       ASN  13  -7.022 -10.151  -4.746
  117   1HB   ASN  13           HB2      ASN  13  -6.582 -12.592  -5.682
  118   2HB   ASN  13           HB1      ASN  13  -6.256 -12.212  -3.991
  119   1HD2  ASN  13           HD2      ASN  13  -6.993 -13.912  -2.715
  120   2HD2  ASN  13           HD2      ASN  13  -8.456 -14.743  -2.945
  121    H    THR  14           HN       THR  14  -6.782  -9.713  -6.931
  122    HA   THR  14           HA       THR  14  -8.352 -10.979  -8.995
  123    HB   THR  14           HB       THR  14 -10.091  -9.526  -7.890
  124    HG1  THR  14           HG1      THR  14 -10.909  -9.155  -9.803
  125   1HG2  THR  14           HG2      THR  14  -8.371  -7.275  -8.966
  126   2HG2  THR  14           HG2      THR  14  -8.504  -7.705  -7.261
  127   3HG2  THR  14           HG2      THR  14  -9.916  -7.110  -8.133
  128    H    ASN  15           HN       ASN  15  -6.629  -8.010  -8.045
  129    HA   ASN  15           HA       ASN  15  -4.696  -8.372 -10.186
  130   1HB   ASN  15           HB2      ASN  15  -6.803  -7.304 -11.263
  131   2HB   ASN  15           HB1      ASN  15  -6.344  -5.852 -10.374
  132   1HD2  ASN  15           HD2      ASN  15  -5.026  -4.481 -11.566
  133   2HD2  ASN  15           HD2      ASN  15  -3.941  -4.971 -12.776
  134    H    ARG  16           HN       ARG  16  -2.862  -7.806  -9.090
  135    HA   ARG  16           HA       ARG  16  -2.959  -5.982  -6.841
  136   1HB   ARG  16           HB2      ARG  16  -1.110  -7.921  -8.051
  137   2HB   ARG  16           HB1      ARG  16  -0.328  -6.515  -7.355
  138   1HG   ARG  16           HG2      ARG  16  -1.742  -6.898  -5.278
  139   2HG   ARG  16           HG1      ARG  16  -2.199  -8.447  -5.988
  140   1HD   ARG  16           HD2      ARG  16   0.709  -7.731  -5.790
  141   2HD   ARG  16           HD1      ARG  16  -0.134  -8.316  -4.356
  142    HE   ARG  16           HE       ARG  16  -0.827 -10.223  -6.143
  143   1HH1  ARG  16           HH2      ARG  16   2.119  -8.875  -5.018
  144   2HH1  ARG  16           HH2      ARG  16   3.113 -10.118  -5.702
  145   1HH2  ARG  16           HH1      ARG  16   0.472 -11.745  -7.253
  146   2HH2  ARG  16           HH1      ARG  16   2.180 -11.741  -6.969
  147    H    ARG  17           HN       ARG  17  -1.098  -4.393  -6.786
  148    HA   ARG  17           HA       ARG  17   0.227  -3.106  -8.801
  149   1HB   ARG  17           HB2      ARG  17  -2.564  -2.832  -9.334
  150   2HB   ARG  17           HB1      ARG  17  -1.974  -1.258  -8.805
  151   1HG   ARG  17           HG2      ARG  17  -1.553  -1.229 -11.113
  152   2HG   ARG  17           HG1      ARG  17   0.002  -1.686 -10.419
  153   1HD   ARG  17           HD2      ARG  17  -0.468  -4.051 -10.851
  154   2HD   ARG  17           HD1      ARG  17  -2.060  -3.635 -11.487
  155    HE   ARG  17           HE       ARG  17   0.320  -2.457 -12.817
  156   1HH1  ARG  17           HH2      ARG  17  -2.783  -2.952 -13.503
  157   2HH1  ARG  17           HH2      ARG  17  -2.570  -3.992 -14.872
  158   1HH2  ARG  17           HH1      ARG  17   0.803  -4.529 -14.272
  159   2HH2  ARG  17           HH1      ARG  17  -0.539  -4.884 -15.308
  160    HA   PRO  18           HA       PRO  18  -0.680  -0.046  -5.245
  161   1HB   PRO  18           HB2      PRO  18  -2.867  -0.533  -3.679
  162   2HB   PRO  18           HB1      PRO  18  -2.936   0.429  -5.149
  163   1HG   PRO  18           HG2      PRO  18  -3.901  -2.347  -4.705
  164   2HG   PRO  18           HG1      PRO  18  -4.505  -1.119  -5.831
  165   1HD   PRO  18           HD2      PRO  18  -2.833  -3.286  -6.507
  166   2HD   PRO  18           HD1      PRO  18  -3.148  -1.856  -7.511
  167    H    GLN  19           HN       GLN  19  -1.442  -3.306  -4.999
  168    HA   GLN  19           HA       GLN  19  -0.479  -3.705  -2.266
  169   1HB   GLN  19           HB2      GLN  19  -2.001  -5.117  -4.266
  170   2HB   GLN  19           HB1      GLN  19  -0.874  -6.114  -3.380
  171   1HG   GLN  19           HG2      GLN  19  -2.156  -6.079  -1.536
  172   2HG   GLN  19           HG1      GLN  19  -2.216  -4.317  -1.588
  173   1HE2  GLN  19           HE2      GLN  19  -3.993  -3.310  -2.799
  174   2HE2  GLN  19           HE2      GLN  19  -5.385  -4.195  -3.203
  175    H    ASP  20           HN       ASP  20   1.313  -2.765  -3.916
  176    HA   ASP  20           HA       ASP  20   3.415  -4.827  -3.884
  177   1HB   ASP  20           HB2      ASP  20   2.687  -5.032  -6.114
  178   2HB   ASP  20           HB1      ASP  20   2.523  -3.313  -6.334
  179    H    VAL  21           HN       VAL  21   2.484  -1.478  -4.554
  180    HA   VAL  21           HA       VAL  21   5.202  -0.665  -4.208
  181    HB   VAL  21           HB       VAL  21   2.704   1.044  -4.290
  182   1HG1  VAL  21           HG1      VAL  21   4.408   2.381  -3.320
  183   2HG1  VAL  21           HG1      VAL  21   4.446   2.792  -5.034
  184   3HG1  VAL  21           HG1      VAL  21   5.653   1.695  -4.363
  185   1HG2  VAL  21           HG2      VAL  21   4.615   0.030  -6.396
  186   2HG2  VAL  21           HG2      VAL  21   3.667   1.494  -6.656
  187   3HG2  VAL  21           HG2      VAL  21   2.853  -0.048  -6.385
  188    H    LYS  22           HN       LYS  22   3.179  -1.799  -2.046
  189    HA   LYS  22           HA       LYS  22   3.959   0.033   0.089
  190   1HB   LYS  22           HB2      LYS  22   2.287  -1.461   1.371
  191   2HB   LYS  22           HB1      LYS  22   1.614  -0.368   0.156
  192   1HG   LYS  22           HG2      LYS  22   1.172  -2.066  -1.336
  193   2HG   LYS  22           HG1      LYS  22   2.516  -3.050  -0.762
  194   1HD   LYS  22           HD2      LYS  22   0.375  -4.063  -0.131
  195   2HD   LYS  22           HD1      LYS  22   1.289  -3.570   1.294
  196   1HE   LYS  22           HE2      LYS  22  -0.033  -1.493   1.432
  197   2HE   LYS  22           HE1      LYS  22  -0.945  -1.974   0.002
  198   1HZ   LYS  22           HZ1      LYS  22  -0.931  -4.061   1.911
  199   2HZ   LYS  22           HZ2      LYS  22  -2.255  -3.235   1.239
  200   3HZ   LYS  22           HZ3      LYS  22  -1.489  -2.630   2.630
  201    H    PHE  23           HN       PHE  23   5.039  -2.520  -1.509
  202    HA   PHE  23           HA       PHE  23   6.291  -4.399  -1.088
  203   1HB   PHE  23           HB2      PHE  23   7.229  -2.578   1.056
  204   2HB   PHE  23           HB1      PHE  23   8.144  -3.895   0.326
  205    HD1  PHE  23           HD1      PHE  23   8.815  -3.821  -2.033
  206    HD2  PHE  23           HD2      PHE  23   6.817  -0.526  -0.150
  207    HE1  PHE  23           HE1      PHE  23   9.314  -2.406  -3.994
  208    HE2  PHE  23           HE2      PHE  23   7.326   0.903  -2.098
  209    HZ   PHE  23           HZ       PHE  23   8.588  -0.028  -4.030
  210    HA   PRO  24           HA       PRO  24   3.212  -5.575   1.996
  211   1HB   PRO  24           HB2      PRO  24   1.887  -7.131   0.184
  212   2HB   PRO  24           HB1      PRO  24   1.579  -5.397   0.372
  213   1HG   PRO  24           HG2      PRO  24   3.033  -6.826  -1.800
  214   2HG   PRO  24           HG1      PRO  24   2.116  -5.312  -1.851
  215   1HD   PRO  24           HD2      PRO  24   4.924  -5.519  -1.700
  216   2HD   PRO  24           HD1      PRO  24   3.971  -4.056  -1.399
  217    H    GLY  25           HN       GLY  25   3.904  -7.961  -0.570
  218   1HA   GLY  25           HA2      GLY  25   4.189 -10.195   1.094
  219   2HA   GLY  25           HA1      GLY  25   5.010 -10.036  -0.462
  220    H    GLY  26           HN       GLY  26   6.361  -7.531   0.602
  221   1HA   GLY  26           HA2      GLY  26   8.846  -8.619   1.324
  222   2HA   GLY  26           HA1      GLY  26   8.345  -6.976   1.731
  223    H    GLY  27           HN       GLY  27   6.823  -6.838   3.687
  224   1HA   GLY  27           HA2      GLY  27   6.947  -9.050   5.590
  225   2HA   GLY  27           HA1      GLY  27   8.000  -7.702   6.022
  226    H    GLN  28           HN       GLN  28   7.031  -5.679   6.573
  227    HA   GLN  28           HA       GLN  28   4.211  -5.944   7.457
  228   1HB   GLN  28           HB2      GLN  28   6.512  -4.994   8.710
  229   2HB   GLN  28           HB1      GLN  28   5.601  -3.535   8.303
  230   1HG   GLN  28           HG2      GLN  28   3.587  -4.536   9.293
  231   2HG   GLN  28           HG1      GLN  28   4.530  -5.955   9.747
  232   1HE2  GLN  28           HE2      GLN  28   3.176  -4.007  11.583
  233   2HE2  GLN  28           HE2      GLN  28   4.405  -3.368  12.565
  234    H    ILE  29           HN       ILE  29   6.100  -4.438   5.105
  235    HA   ILE  29           HA       ILE  29   5.432  -3.105   3.279
  236    HB   ILE  29           HB       ILE  29   3.232  -2.604   2.855
  237   1HG1  ILE  29           HG1      ILE  29   1.672  -2.346   5.080
  238   2HG1  ILE  29           HG1      ILE  29   3.212  -1.731   5.681
  239   1HG2  ILE  29           HG2      ILE  29   3.608  -5.023   4.161
  240   2HG2  ILE  29           HG2      ILE  29   2.199  -4.569   3.201
  241   3HG2  ILE  29           HG2      ILE  29   2.185  -4.341   4.949
  242   1HD1  ILE  29           HD1      ILE  29   2.857   0.203   4.599
  243   2HD1  ILE  29           HD1      ILE  29   1.338  -0.421   3.960
  244   3HD1  ILE  29           HD1      ILE  29   2.838  -0.668   3.066
  245    H    VAL  30           HN       VAL  30   5.678  -2.214   6.511
  246    HA   VAL  30           HA       VAL  30   5.638   0.674   5.885
  247    HB   VAL  30           HB       VAL  30   6.257  -0.766   8.479
  248   1HG1  VAL  30           HG1      VAL  30   6.609   1.936   7.674
  249   2HG1  VAL  30           HG1      VAL  30   6.778   1.266   9.296
  250   3HG1  VAL  30           HG1      VAL  30   5.222   1.903   8.763
  251   1HG2  VAL  30           HG2      VAL  30   3.772  -0.326   7.098
  252   2HG2  VAL  30           HG2      VAL  30   3.787   0.646   8.569
  253   3HG2  VAL  30           HG2      VAL  30   4.034  -1.099   8.662
  254    H    GLY  31           HN       GLY  31   7.709  -1.520   5.043
  255   1HA   GLY  31           HA2      GLY  31  10.042   0.149   5.795
  256   2HA   GLY  31           HA1      GLY  31  10.167  -1.592   5.877
  257    H    GLY  32           HN       GLY  32   8.332  -1.412   3.293
  258   1HA   GLY  32           HA2      GLY  32  10.673  -1.357   1.557
  259   2HA   GLY  32           HA1      GLY  32   9.127  -1.924   1.040
  260    H    VAL  33           HN       VAL  33   8.005   0.548   2.335
  261    HA   VAL  33           HA       VAL  33   8.223   2.361   0.031
  262    HB   VAL  33           HB       VAL  33   6.785   2.444   2.701
  263   1HG1  VAL  33           HG1      VAL  33   5.782   4.622   1.521
  264   2HG1  VAL  33           HG1      VAL  33   7.382   4.665   0.780
  265   3HG1  VAL  33           HG1      VAL  33   7.222   4.714   2.536
  266   1HG2  VAL  33           HG2      VAL  33   6.133   1.604   0.034
  267   2HG2  VAL  33           HG2      VAL  33   5.134   3.001   0.434
  268   3HG2  VAL  33           HG2      VAL  33   5.109   1.574   1.469
  269    H    TYR  34           HN       TYR  34   9.854   1.580   2.757
  270    HA   TYR  34           HA       TYR  34  11.228   4.162   3.153
  271   1HB   TYR  34           HB2      TYR  34  11.332   1.610   4.802
  272   2HB   TYR  34           HB1      TYR  34  11.806   3.231   5.317
  273    HD1  TYR  34           HD1      TYR  34   8.911   1.165   4.211
  274    HD2  TYR  34           HD2      TYR  34  10.184   4.819   6.061
  275    HE1  TYR  34           HE1      TYR  34   6.570   1.716   4.701
  276    HE2  TYR  34           HE2      TYR  34   7.835   5.361   6.584
  277    HH   TYR  34           HH       TYR  34   5.668   4.091   6.908
  278    H    LEU  35           HN       LEU  35  11.367   1.290   1.495
  279    HA   LEU  35           HA       LEU  35  14.293   1.034   1.440
  280   1HB   LEU  35           HB2      LEU  35  13.730  -1.149   0.987
  281   2HB   LEU  35           HB1      LEU  35  12.046  -0.692   1.096
  282    HG   LEU  35           HG       LEU  35  12.285   0.096  -1.346
  283   1HD1  LEU  35           HD1      LEU  35  14.250  -1.931  -1.948
  284   2HD1  LEU  35           HD1      LEU  35  14.947  -0.750  -0.837
  285   3HD1  LEU  35           HD1      LEU  35  14.270  -0.221  -2.377
  286   1HD2  LEU  35           HD2      LEU  35  12.246  -2.481  -2.033
  287   2HD2  LEU  35           HD2      LEU  35  10.921  -1.758  -1.121
  288   3HD2  LEU  35           HD2      LEU  35  12.158  -2.697  -0.285
  289    H    LEU  36           HN       LEU  36  11.933   2.915   0.176
  290    HA   LEU  36           HA       LEU  36  12.796   3.051  -2.588
  291   1HB   LEU  36           HB2      LEU  36  10.951   4.969  -1.156
  292   2HB   LEU  36           HB1      LEU  36  11.001   4.598  -2.875
  293    HG   LEU  36           HG       LEU  36  10.192   2.710  -0.651
  294   1HD1  LEU  36           HD1      LEU  36   8.657   3.964  -2.949
  295   2HD1  LEU  36           HD1      LEU  36   8.470   4.355  -1.240
  296   3HD1  LEU  36           HD1      LEU  36   8.007   2.761  -1.834
  297   1HD2  LEU  36           HD2      LEU  36  10.801   1.062  -2.070
  298   2HD2  LEU  36           HD2      LEU  36  11.210   2.228  -3.328
  299   3HD2  LEU  36           HD2      LEU  36   9.555   1.639  -3.176
  300    HA   PRO  37           HA       PRO  37  14.579   7.222  -1.084
  301   1HB   PRO  37           HB2      PRO  37  14.741   7.603   1.634
  302   2HB   PRO  37           HB1      PRO  37  13.339   8.089   0.663
  303   1HG   PRO  37           HG2      PRO  37  13.610   5.799   2.545
  304   2HG   PRO  37           HG1      PRO  37  12.151   6.659   2.029
  305   1HD   PRO  37           HD2      PRO  37  13.049   4.139   1.066
  306   2HD   PRO  37           HD1      PRO  37  11.740   5.115   0.389
  307    H    ARG  38           HN       ARG  38  15.235   4.805   1.482
  308    HA   ARG  38           HA       ARG  38  18.129   5.292   1.261
  309   1HB   ARG  38           HB2      ARG  38  18.332   3.908   3.197
  310   2HB   ARG  38           HB1      ARG  38  16.872   4.867   3.446
  311   1HG   ARG  38           HG2      ARG  38  15.676   2.979   3.659
  312   2HG   ARG  38           HG1      ARG  38  16.111   2.528   2.010
  313   1HD   ARG  38           HD2      ARG  38  17.799   1.124   2.693
  314   2HD   ARG  38           HD1      ARG  38  18.182   2.105   4.108
  315    HE   ARG  38           HE       ARG  38  15.610   0.649   4.177
  316   1HH1  ARG  38           HH1      ARG  38  18.163  -1.104   4.211
  317   2HH1  ARG  38           HH1      ARG  38  18.369  -1.316   5.918
  318   1HH2  ARG  38           HH2      ARG  38  16.192   1.246   6.768
  319   2HH2  ARG  38           HH2      ARG  38  17.254   0.013   7.365
  320    H    ARG  39           HN       ARG  39  16.905   4.249  -1.107
  321    HA   ARG  39           HA       ARG  39  16.935   1.497  -1.487
  322   1HB   ARG  39           HB2      ARG  39  16.310   2.705  -3.378
  323   2HB   ARG  39           HB1      ARG  39  17.641   3.848  -3.213
  324   1HG   ARG  39           HG2      ARG  39  19.170   2.424  -4.208
  325   2HG   ARG  39           HG1      ARG  39  18.264   0.977  -3.769
  326   1HD   ARG  39           HD2      ARG  39  16.433   1.947  -5.367
  327   2HD   ARG  39           HD1      ARG  39  17.761   2.905  -6.022
  328    HE   ARG  39           HE       ARG  39  17.565  -0.060  -6.131
  329   1HH1  ARG  39           HH1      ARG  39  18.224   2.732  -7.832
  330   2HH1  ARG  39           HH1      ARG  39  19.641   2.135  -8.629
  331   1HH2  ARG  39           HH2      ARG  39  19.796  -0.774  -6.749
  332   2HH2  ARG  39           HH2      ARG  39  20.531   0.150  -8.016
  333    H    GLY  40           HN       GLY  40  19.613   3.631  -0.833
  334   1HA   GLY  40           HA2      GLY  40  21.898   3.192  -0.531
  335   2HA   GLY  40           HA1      GLY  40  21.390   1.555  -0.116
  336    HA   PRO  41           HA       PRO  41  22.542   1.779  -4.793
  337   1HB   PRO  41           HB2      PRO  41  24.528   3.614  -5.298
  338   2HB   PRO  41           HB1      PRO  41  22.801   3.968  -5.469
  339   1HG   PRO  41           HG2      PRO  41  24.688   4.828  -3.326
  340   2HG   PRO  41           HG1      PRO  41  23.207   5.612  -3.897
  341   1HD   PRO  41           HD2      PRO  41  23.459   4.069  -1.538
  342   2HD   PRO  41           HD1      PRO  41  21.933   4.570  -2.299
  343    H    ARG  42           HN       ARG  42  24.590   0.931  -5.839
  344    HA   ARG  42           HA       ARG  42  26.397  -0.181  -3.746
  345   1HB   ARG  42           HB2      ARG  42  25.409  -1.133  -6.393
  346   2HB   ARG  42           HB1      ARG  42  27.045  -1.605  -5.931
  347   1HG   ARG  42           HG2      ARG  42  26.129  -2.421  -3.743
  348   2HG   ARG  42           HG1      ARG  42  24.505  -2.086  -4.349
  349   1HD   ARG  42           HD2      ARG  42  24.543  -4.180  -5.197
  350   2HD   ARG  42           HD1      ARG  42  25.663  -3.549  -6.405
  351    HE   ARG  42           HE       ARG  42  27.416  -4.165  -4.480
  352   1HH1  ARG  42           HH1      ARG  42  26.525  -6.112  -6.726
  353   2HH1  ARG  42           HH1      ARG  42  26.281  -7.555  -5.801
  354   1HH2  ARG  42           HH2      ARG  42  26.271  -5.911  -2.747
  355   2HH2  ARG  42           HH2      ARG  42  26.137  -7.441  -3.548
  356    H    LEU  43           HN       LEU  43  26.301   2.098  -6.295
  357    HA   LEU  43           HA       LEU  43  29.233   1.976  -6.726
  358   1HB   LEU  43           HB2      LEU  43  26.930   3.019  -8.201
  359   2HB   LEU  43           HB1      LEU  43  28.269   4.165  -8.135
  360    HG   LEU  43           HG       LEU  43  29.643   1.900  -8.670
  361   1HD1  LEU  43           HD1      LEU  43  27.048   1.583 -10.200
  362   2HD1  LEU  43           HD1      LEU  43  27.442   0.642  -8.761
  363   3HD1  LEU  43           HD1      LEU  43  28.438   0.498 -10.210
  364   1HD2  LEU  43           HD2      LEU  43  28.894   4.248 -10.023
  365   2HD2  LEU  43           HD2      LEU  43  28.541   2.938 -11.150
  366   3HD2  LEU  43           HD2      LEU  43  30.168   3.123 -10.494
  367    H    GLY  44           HN       GLY  44  29.284   2.604  -4.275
  368   1HA   GLY  44           HA2      GLY  44  30.013   5.413  -4.139
  369   2HA   GLY  44           HA1      GLY  44  28.545   5.065  -3.223
  Start of MODEL    3
    1   1H    SER   1           HT1      SER   1 -41.564  -4.621  -1.668
    2   2H    SER   1           HT2      SER   1 -40.781  -6.123  -1.801
    3   3H    SER   1           HT3      SER   1 -42.421  -6.052  -1.360
    4    HA   SER   1           HA       SER   1 -43.141  -5.768  -3.460
    5   1HB   SER   1           HB2      SER   1 -42.312  -4.149  -4.853
    6   2HB   SER   1           HB1      SER   1 -41.484  -3.627  -3.389
    7    HG   SER   1           HG       SER   1 -39.863  -3.865  -4.798
    8    H    THR   2           HN       THR   2 -42.607  -6.815  -5.608
    9    HA   THR   2           HA       THR   2 -40.890  -9.174  -5.108
   10    HB   THR   2           HB       THR   2 -42.015 -10.191  -6.961
   11    HG1  THR   2           HG1      THR   2 -43.277  -8.965  -8.366
   12   1HG2  THR   2           HG2      THR   2 -44.485  -9.521  -6.447
   13   2HG2  THR   2           HG2      THR   2 -43.770  -8.494  -5.205
   14   3HG2  THR   2           HG2      THR   2 -43.515 -10.238  -5.162
   15    H    ASN   3           HN       ASN   3 -38.951  -7.660  -5.265
   16    HA   ASN   3           HA       ASN   3 -37.651  -7.996  -7.791
   17   1HB   ASN   3           HB2      ASN   3 -39.399  -5.950  -7.995
   18   2HB   ASN   3           HB1      ASN   3 -38.012  -5.079  -7.331
   19   1HD2  ASN   3           HD2      ASN   3 -36.826  -4.180  -9.019
   20   2HD2  ASN   3           HD2      ASN   3 -36.502  -4.944 -10.500
   21    HA   PRO   4           HA       PRO   4 -34.834  -7.247  -4.310
   22   1HB   PRO   4           HB2      PRO   4 -33.040  -9.172  -5.109
   23   2HB   PRO   4           HB1      PRO   4 -34.468  -9.514  -4.117
   24   1HG   PRO   4           HG2      PRO   4 -34.010 -10.091  -7.008
   25   2HG   PRO   4           HG1      PRO   4 -35.062 -10.922  -5.851
   26   1HD   PRO   4           HD2      PRO   4 -35.905  -9.064  -7.808
   27   2HD   PRO   4           HD1      PRO   4 -36.871  -9.639  -6.430
   28    H    LYS   5           HN       LYS   5 -32.770  -6.191  -4.314
   29    HA   LYS   5           HA       LYS   5 -31.941  -5.177  -6.989
   30   1HB   LYS   5           HB2      LYS   5 -32.052  -4.053  -4.282
   31   2HB   LYS   5           HB1      LYS   5 -30.521  -3.739  -5.101
   32   1HG   LYS   5           HG2      LYS   5 -32.716  -3.367  -6.942
   33   2HG   LYS   5           HG1      LYS   5 -32.970  -2.391  -5.495
   34   1HD   LYS   5           HD2      LYS   5 -30.308  -2.449  -6.920
   35   2HD   LYS   5           HD1      LYS   5 -31.585  -1.326  -7.386
   36   1HE   LYS   5           HE2      LYS   5 -30.355  -1.565  -4.624
   37   2HE   LYS   5           HE1      LYS   5 -30.065  -0.260  -5.776
   38   1HZ   LYS   5           HZ1      LYS   5 -31.831   0.753  -4.941
   39   2HZ   LYS   5           HZ2      LYS   5 -32.200  -0.578  -3.950
   40   3HZ   LYS   5           HZ3      LYS   5 -32.810  -0.499  -5.534
   41    HA   PRO   6           HA       PRO   6 -28.499  -8.009  -6.254
   42   1HB   PRO   6           HB2      PRO   6 -27.770  -8.119  -8.903
   43   2HB   PRO   6           HB1      PRO   6 -29.053  -9.117  -8.198
   44   1HG   PRO   6           HG2      PRO   6 -29.292  -6.727  -9.965
   45   2HG   PRO   6           HG1      PRO   6 -30.409  -8.085  -9.758
   46   1HD   PRO   6           HD2      PRO   6 -30.704  -5.512  -8.618
   47   2HD   PRO   6           HD1      PRO   6 -31.610  -6.969  -8.155
   48    H    GLN   7           HN       GLN   7 -26.567  -7.178  -5.555
   49    HA   GLN   7           HA       GLN   7 -25.662  -4.555  -6.518
   50   1HB   GLN   7           HB2      GLN   7 -24.866  -6.442  -4.333
   51   2HB   GLN   7           HB1      GLN   7 -23.682  -5.257  -4.887
   52   1HG   GLN   7           HG2      GLN   7 -26.310  -4.055  -4.544
   53   2HG   GLN   7           HG1      GLN   7 -25.738  -4.800  -3.051
   54   1HE2  GLN   7           HE2      GLN   7 -23.182  -4.302  -2.737
   55   2HE2  GLN   7           HE2      GLN   7 -22.764  -2.671  -2.956
   56    H    ARG   8           HN       ARG   8 -25.226  -5.236  -8.758
   57    HA   ARG   8           HA       ARG   8 -22.925  -7.078  -9.102
   58   1HB   ARG   8           HB2      ARG   8 -24.975  -7.257 -10.567
   59   2HB   ARG   8           HB1      ARG   8 -24.559  -5.679 -11.238
   60   1HG   ARG   8           HG2      ARG   8 -23.003  -6.591 -12.587
   61   2HG   ARG   8           HG1      ARG   8 -22.245  -7.423 -11.229
   62   1HD   ARG   8           HD2      ARG   8 -23.313  -9.382 -11.672
   63   2HD   ARG   8           HD1      ARG   8 -24.826  -8.573 -12.079
   64    HE   ARG   8           HE       ARG   8 -22.527  -8.764 -13.987
   65   1HH1  ARG   8           HH2      ARG   8 -25.297 -10.389 -13.579
   66   2HH1  ARG   8           HH2      ARG   8 -26.092  -9.868 -15.025
   67   1HH2  ARG   8           HH1      ARG   8 -23.796  -7.357 -15.698
   68   2HH2  ARG   8           HH1      ARG   8 -25.243  -8.151 -16.225
   69    H    LYS   9           HN       LYS   9 -20.919  -6.186  -9.103
   70    HA   LYS   9           HA       LYS   9 -20.475  -3.643 -10.537
   71   1HB   LYS   9           HB2      LYS   9 -20.961  -2.831  -8.306
   72   2HB   LYS   9           HB1      LYS   9 -19.869  -4.017  -7.591
   73   1HG   LYS   9           HG2      LYS   9 -17.969  -2.880  -8.259
   74   2HG   LYS   9           HG1      LYS   9 -18.765  -2.160  -9.658
   75   1HD   LYS   9           HD2      LYS   9 -19.893  -1.353  -7.052
   76   2HD   LYS   9           HD1      LYS   9 -18.237  -0.813  -7.336
   77   1HE   LYS   9           HE2      LYS   9 -19.228   0.899  -8.461
   78   2HE   LYS   9           HE1      LYS   9 -19.393  -0.283  -9.759
   79   1HZ   LYS   9           HZ1      LYS   9 -21.506  -0.762  -8.079
   80   2HZ   LYS   9           HZ2      LYS   9 -21.569   0.021  -9.584
   81   3HZ   LYS   9           HZ3      LYS   9 -21.411   0.929  -8.157
   82    H    THR  10           HN       THR  10 -18.310  -4.931  -8.093
   83    HA   THR  10           HA       THR  10 -16.339  -6.216  -8.304
   84    HB   THR  10           HB       THR  10 -16.810  -6.418 -11.275
   85    HG1  THR  10           HG1      THR  10 -18.605  -7.377 -10.801
   86   1HG2  THR  10           HG2      THR  10 -15.290  -7.892  -9.159
   87   2HG2  THR  10           HG2      THR  10 -14.777  -7.416 -10.777
   88   3HG2  THR  10           HG2      THR  10 -15.868  -8.786 -10.565
   89    H    LYS  11           HN       LYS  11 -16.508  -4.595 -11.492
   90    HA   LYS  11           HA       LYS  11 -15.138  -2.924 -12.403
   91   1HB   LYS  11           HB2      LYS  11 -15.698  -2.137  -9.737
   92   2HB   LYS  11           HB1      LYS  11 -13.978  -1.843  -9.998
   93   1HG   LYS  11           HG2      LYS  11 -14.455  -0.035 -11.244
   94   2HG   LYS  11           HG1      LYS  11 -15.408  -1.030 -12.346
   95   1HD   LYS  11           HD2      LYS  11 -16.909   0.627 -11.495
   96   2HD   LYS  11           HD1      LYS  11 -17.304  -0.869 -10.648
   97   1HE   LYS  11           HE2      LYS  11 -17.012   0.269  -8.722
   98   2HE   LYS  11           HE1      LYS  11 -15.289   0.291  -9.096
   99   1HZ   LYS  11           HZ1      LYS  11 -15.454   2.384 -10.076
  100   2HZ   LYS  11           HZ2      LYS  11 -16.425   2.509  -8.687
  101   3HZ   LYS  11           HZ3      LYS  11 -17.143   2.304 -10.212
  102    H    ARG  12           HN       ARG  12 -13.152  -3.243 -13.292
  103    HA   ARG  12           HA       ARG  12 -11.012  -4.168 -13.590
  104   1HB   ARG  12           HB2      ARG  12 -11.023  -2.861 -10.911
  105   2HB   ARG  12           HB1      ARG  12  -9.655  -3.909 -11.286
  106   1HG   ARG  12           HG2      ARG  12 -10.623  -1.611 -13.014
  107   2HG   ARG  12           HG1      ARG  12  -9.206  -1.572 -11.964
  108   1HD   ARG  12           HD2      ARG  12  -8.069  -2.285 -13.795
  109   2HD   ARG  12           HD1      ARG  12  -8.767  -3.861 -13.428
  110    HE   ARG  12           HE       ARG  12 -10.665  -2.451 -14.985
  111   1HH1  ARG  12           HH2      ARG  12  -8.522  -4.927 -15.247
  112   2HH1  ARG  12           HH2      ARG  12  -8.146  -4.705 -16.922
  113   1HH2  ARG  12           HH1      ARG  12  -9.734  -1.630 -17.145
  114   2HH2  ARG  12           HH1      ARG  12  -8.832  -2.837 -17.998
  115    H    ASN  13           HN       ASN  13  -9.364  -5.763 -12.337
  116    HA   ASN  13           HA       ASN  13 -10.827  -7.797 -10.773
  117   1HB   ASN  13           HB2      ASN  13 -11.297  -8.554 -13.018
  118   2HB   ASN  13           HB1      ASN  13  -9.615  -8.333 -13.499
  119   1HD2  ASN  13           HD2      ASN  13  -9.084 -10.536 -13.935
  120   2HD2  ASN  13           HD2      ASN  13  -9.123 -11.750 -12.750
  121    H    THR  14           HN       THR  14  -7.782  -7.645 -12.663
  122    HA   THR  14           HA       THR  14  -6.330  -8.122 -10.089
  123    HB   THR  14           HB       THR  14  -5.730  -9.248 -12.841
  124    HG1  THR  14           HG1      THR  14  -7.282 -10.412 -11.750
  125   1HG2  THR  14           HG2      THR  14  -4.175  -9.474 -10.249
  126   2HG2  THR  14           HG2      THR  14  -3.658  -8.600 -11.691
  127   3HG2  THR  14           HG2      THR  14  -3.816 -10.356 -11.732
  128    H    ASN  15           HN       ASN  15  -6.166  -5.723 -10.067
  129    HA   ASN  15           HA       ASN  15  -4.106  -4.728 -11.998
  130   1HB   ASN  15           HB2      ASN  15  -6.487  -3.648 -11.861
  131   2HB   ASN  15           HB1      ASN  15  -5.880  -2.921 -10.371
  132   1HD2  ASN  15           HD2      ASN  15  -5.061  -0.868 -10.761
  133   2HD2  ASN  15           HD2      ASN  15  -4.228  -0.395 -12.162
  134    H    ARG  16           HN       ARG  16  -2.192  -5.078 -10.857
  135    HA   ARG  16           HA       ARG  16  -2.015  -4.669  -8.002
  136   1HB   ARG  16           HB2      ARG  16  -0.379  -5.706 -10.183
  137   2HB   ARG  16           HB1      ARG  16   0.549  -4.744  -9.050
  138   1HG   ARG  16           HG2      ARG  16  -1.015  -6.219  -7.355
  139   2HG   ARG  16           HG1      ARG  16  -0.741  -7.360  -8.672
  140   1HD   ARG  16           HD2      ARG  16   1.684  -7.016  -8.491
  141   2HD   ARG  16           HD1      ARG  16   1.434  -5.835  -7.205
  142    HE   ARG  16           HE       ARG  16   0.855  -7.629  -5.717
  143   1HH1  ARG  16           HH2      ARG  16  -0.649  -9.284  -7.772
  144   2HH1  ARG  16           HH2      ARG  16   0.378 -10.671  -7.909
  145   1HH2  ARG  16           HH1      ARG  16   3.099  -9.138  -6.402
  146   2HH2  ARG  16           HH1      ARG  16   2.501 -10.588  -7.135
  147    H    ARG  17           HN       ARG  17  -0.125  -3.293  -7.291
  148    HA   ARG  17           HA       ARG  17   1.156  -1.163  -8.240
  149   1HB   ARG  17           HB2      ARG  17  -1.745  -0.611  -8.552
  150   2HB   ARG  17           HB1      ARG  17  -0.789   0.699  -7.858
  151   1HG   ARG  17           HG2      ARG  17   0.017  -0.778 -10.370
  152   2HG   ARG  17           HG1      ARG  17  -0.951   0.698 -10.392
  153   1HD   ARG  17           HD2      ARG  17   0.985   1.607  -8.830
  154   2HD   ARG  17           HD1      ARG  17   1.915   0.321  -9.600
  155    HE   ARG  17           HE       ARG  17   0.703   2.642 -11.021
  156   1HH1  ARG  17           HH1      ARG  17   3.460   0.816 -10.533
  157   2HH1  ARG  17           HH1      ARG  17   3.898   0.697 -12.205
  158   1HH2  ARG  17           HH2      ARG  17   0.934   2.077 -13.357
  159   2HH2  ARG  17           HH2      ARG  17   2.468   1.410 -13.803
  160    HA   PRO  18           HA       PRO  18  -0.339   0.012  -3.851
  161   1HB   PRO  18           HB2      PRO  18  -2.605  -1.203  -2.922
  162   2HB   PRO  18           HB1      PRO  18  -2.621   0.312  -3.814
  163   1HG   PRO  18           HG2      PRO  18  -3.363  -2.407  -4.766
  164   2HG   PRO  18           HG1      PRO  18  -4.000  -0.833  -5.272
  165   1HD   PRO  18           HD2      PRO  18  -2.113  -2.337  -6.700
  166   2HD   PRO  18           HD1      PRO  18  -2.430  -0.602  -6.915
  167    H    GLN  19           HN       GLN  19  -0.845  -3.070  -5.112
  168    HA   GLN  19           HA       GLN  19  -0.105  -4.561  -2.708
  169   1HB   GLN  19           HB2      GLN  19  -1.299  -5.044  -5.271
  170   2HB   GLN  19           HB1      GLN  19  -0.129  -6.256  -4.807
  171   1HG   GLN  19           HG2      GLN  19  -1.509  -7.133  -3.264
  172   2HG   GLN  19           HG1      GLN  19  -1.778  -5.539  -2.561
  173   1HE2  GLN  19           HE2      GLN  19  -3.433  -4.135  -3.740
  174   2HE2  GLN  19           HE2      GLN  19  -4.742  -4.907  -4.496
  175    H    ASP  20           HN       ASP  20   1.738  -2.893  -3.636
  176    HA   ASP  20           HA       ASP  20   4.042  -4.664  -4.058
  177   1HB   ASP  20           HB2      ASP  20   3.575  -4.167  -6.301
  178   2HB   ASP  20           HB1      ASP  20   3.181  -2.502  -5.972
  179    H    VAL  21           HN       VAL  21   2.858  -1.329  -3.773
  180    HA   VAL  21           HA       VAL  21   5.409  -0.527  -2.773
  181    HB   VAL  21           HB       VAL  21   3.004   1.177  -2.276
  182   1HG1  VAL  21           HG1      VAL  21   4.644   2.691  -1.992
  183   2HG1  VAL  21           HG1      VAL  21   5.125   2.470  -3.674
  184   3HG1  VAL  21           HG1      VAL  21   5.852   1.477  -2.412
  185   1HG2  VAL  21           HG2      VAL  21   2.307   0.838  -4.417
  186   2HG2  VAL  21           HG2      VAL  21   3.830   0.083  -4.889
  187   3HG2  VAL  21           HG2      VAL  21   3.690   1.841  -4.854
  188    H    LYS  22           HN       LYS  22   3.207  -2.385  -1.412
  189    HA   LYS  22           HA       LYS  22   3.515  -1.310   1.284
  190   1HB   LYS  22           HB2      LYS  22   1.860  -3.162   1.793
  191   2HB   LYS  22           HB1      LYS  22   1.249  -1.912   0.699
  192   1HG   LYS  22           HG2      LYS  22   1.354  -3.269  -1.144
  193   2HG   LYS  22           HG1      LYS  22   2.742  -4.153  -0.517
  194   1HD   LYS  22           HD2      LYS  22   0.583  -5.471  -0.612
  195   2HD   LYS  22           HD1      LYS  22   1.402  -5.448   0.950
  196   1HE   LYS  22           HE2      LYS  22  -0.131  -3.880   1.856
  197   2HE   LYS  22           HE1      LYS  22  -0.748  -3.440   0.263
  198   1HZ   LYS  22           HZ1      LYS  22  -2.368  -4.869   0.870
  199   2HZ   LYS  22           HZ2      LYS  22  -1.371  -5.747   1.929
  200   3HZ   LYS  22           HZ3      LYS  22  -1.286  -6.022   0.254
  201    H    PHE  23           HN       PHE  23   5.158  -3.042  -0.808
  202    HA   PHE  23           HA       PHE  23   6.582  -4.842  -0.811
  203   1HB   PHE  23           HB2      PHE  23   6.948  -3.720   1.910
  204   2HB   PHE  23           HB1      PHE  23   8.128  -4.681   1.019
  205    HD1  PHE  23           HD1      PHE  23   6.182  -1.543   0.996
  206    HD2  PHE  23           HD2      PHE  23   9.349  -3.778  -0.841
  207    HE1  PHE  23           HE1      PHE  23   6.710   0.399  -0.429
  208    HE2  PHE  23           HE2      PHE  23   9.899  -1.831  -2.259
  209    HZ   PHE  23           HZ       PHE  23   8.587   0.271  -2.059
  210    HA   PRO  24           HA       PRO  24   3.304  -7.276   1.136
  211   1HB   PRO  24           HB2      PRO  24   2.521  -8.285  -1.279
  212   2HB   PRO  24           HB1      PRO  24   1.929  -6.743  -0.638
  213   1HG   PRO  24           HG2      PRO  24   3.901  -7.247  -2.816
  214   2HG   PRO  24           HG1      PRO  24   2.777  -5.893  -2.596
  215   1HD   PRO  24           HD2      PRO  24   5.526  -5.851  -1.969
  216   2HD   PRO  24           HD1      PRO  24   4.320  -4.678  -1.418
  217    H    GLY  25           HN       GLY  25   2.903  -9.774   0.342
  218   1HA   GLY  25           HA2      GLY  25   3.815 -11.930   0.181
  219   2HA   GLY  25           HA1      GLY  25   5.166 -11.206  -0.693
  220    H    GLY  26           HN       GLY  26   4.257 -10.160   2.537
  221   1HA   GLY  26           HA2      GLY  26   5.842 -11.831   4.129
  222   2HA   GLY  26           HA1      GLY  26   6.937 -10.592   3.516
  223    H    GLY  27           HN       GLY  27   5.714  -8.263   3.650
  224   1HA   GLY  27           HA2      GLY  27   4.060  -7.073   5.181
  225   2HA   GLY  27           HA1      GLY  27   4.722  -8.080   6.472
  226    H    GLN  28           HN       GLN  28   5.867  -5.846   3.939
  227    HA   GLN  28           HA       GLN  28   7.737  -4.668   5.911
  228   1HB   GLN  28           HB2      GLN  28   8.261  -6.165   3.522
  229   2HB   GLN  28           HB1      GLN  28   8.877  -4.527   3.360
  230   1HG   GLN  28           HG2      GLN  28   9.857  -4.809   5.686
  231   2HG   GLN  28           HG1      GLN  28   9.480  -6.524   5.529
  232   1HE2  GLN  28           HE2      GLN  28  11.955  -6.752   5.671
  233   2HE2  GLN  28           HE2      GLN  28  12.850  -6.580   4.239
  234    H    ILE  29           HN       ILE  29   5.105  -4.055   4.491
  235    HA   ILE  29           HA       ILE  29   5.357  -1.944   2.637
  236    HB   ILE  29           HB       ILE  29   3.163  -2.550   2.935
  237   1HG1  ILE  29           HG1      ILE  29   3.563   0.006   3.270
  238   2HG1  ILE  29           HG1      ILE  29   1.963  -0.662   3.576
  239   1HG2  ILE  29           HG2      ILE  29   2.331  -2.432   5.510
  240   2HG2  ILE  29           HG2      ILE  29   4.013  -2.926   5.711
  241   3HG2  ILE  29           HG2      ILE  29   2.920  -3.898   4.726
  242   1HD1  ILE  29           HD1      ILE  29   3.400   0.870   5.362
  243   2HD1  ILE  29           HD1      ILE  29   3.749  -0.770   5.912
  244   3HD1  ILE  29           HD1      ILE  29   2.079  -0.215   5.800
  245    H    VAL  30           HN       VAL  30   5.834  -1.988   6.079
  246    HA   VAL  30           HA       VAL  30   5.820   0.913   6.189
  247    HB   VAL  30           HB       VAL  30   6.687  -1.108   8.268
  248   1HG1  VAL  30           HG1      VAL  30   7.515   0.810   9.203
  249   2HG1  VAL  30           HG1      VAL  30   5.828   1.068   9.646
  250   3HG1  VAL  30           HG1      VAL  30   6.493   1.853   8.214
  251   1HG2  VAL  30           HG2      VAL  30   4.039   0.282   7.762
  252   2HG2  VAL  30           HG2      VAL  30   4.408  -0.635   9.222
  253   3HG2  VAL  30           HG2      VAL  30   4.359  -1.448   7.658
  254    H    GLY  31           HN       GLY  31   7.916  -0.802   4.669
  255   1HA   GLY  31           HA2      GLY  31  10.195   0.840   5.520
  256   2HA   GLY  31           HA1      GLY  31  10.464  -0.879   5.414
  257    H    GLY  32           HN       GLY  32   8.614  -0.983   2.991
  258   1HA   GLY  32           HA2      GLY  32  10.718  -0.261   1.136
  259   2HA   GLY  32           HA1      GLY  32   9.237  -1.046   0.654
  260    H    VAL  33           HN       VAL  33   7.944   1.151   2.386
  261    HA   VAL  33           HA       VAL  33   7.552   3.116   0.253
  262    HB   VAL  33           HB       VAL  33   6.670   2.975   3.156
  263   1HG1  VAL  33           HG1      VAL  33   6.082   5.111   1.078
  264   2HG1  VAL  33           HG1      VAL  33   7.013   5.329   2.559
  265   3HG1  VAL  33           HG1      VAL  33   5.285   4.984   2.646
  266   1HG2  VAL  33           HG2      VAL  33   5.666   1.795   0.835
  267   2HG2  VAL  33           HG2      VAL  33   4.638   3.209   1.065
  268   3HG2  VAL  33           HG2      VAL  33   4.788   2.009   2.348
  269    H    TYR  34           HN       TYR  34   9.732   2.393   2.593
  270    HA   TYR  34           HA       TYR  34  10.883   5.092   2.920
  271   1HB   TYR  34           HB2      TYR  34  11.491   2.467   4.330
  272   2HB   TYR  34           HB1      TYR  34  11.961   4.077   4.862
  273    HD1  TYR  34           HD1      TYR  34  10.444   5.481   6.050
  274    HD2  TYR  34           HD2      TYR  34   9.025   1.916   4.153
  275    HE1  TYR  34           HE1      TYR  34   8.226   5.794   7.080
  276    HE2  TYR  34           HE2      TYR  34   6.824   2.206   5.177
  277    HH   TYR  34           HH       TYR  34   6.201   3.941   7.717
  278    H    LEU  35           HN       LEU  35  11.123   2.122   1.292
  279    HA   LEU  35           HA       LEU  35  13.978   2.368   0.605
  280   1HB   LEU  35           HB2      LEU  35  11.789   0.382  -0.109
  281   2HB   LEU  35           HB1      LEU  35  13.429   0.278  -0.747
  282    HG   LEU  35           HG       LEU  35  12.955   0.511   2.205
  283   1HD1  LEU  35           HD1      LEU  35  12.202  -1.714   0.493
  284   2HD1  LEU  35           HD1      LEU  35  11.949  -1.515   2.227
  285   3HD1  LEU  35           HD1      LEU  35  13.462  -2.197   1.629
  286   1HD2  LEU  35           HD2      LEU  35  15.115  -0.955   2.057
  287   2HD2  LEU  35           HD2      LEU  35  15.234   0.766   1.686
  288   3HD2  LEU  35           HD2      LEU  35  15.165  -0.415   0.378
  289    H    LEU  36           HN       LEU  36  11.261   3.878  -0.179
  290    HA   LEU  36           HA       LEU  36  11.310   3.814  -3.067
  291   1HB   LEU  36           HB2      LEU  36   9.960   5.832  -1.258
  292   2HB   LEU  36           HB1      LEU  36   9.571   5.497  -2.940
  293    HG   LEU  36           HG       LEU  36   9.213   3.681  -0.561
  294   1HD1  LEU  36           HD1      LEU  36   7.466   5.224  -2.417
  295   2HD1  LEU  36           HD1      LEU  36   7.242   4.859  -0.706
  296   3HD1  LEU  36           HD1      LEU  36   6.890   3.632  -1.923
  297   1HD2  LEU  36           HD2      LEU  36   8.255   2.147  -2.475
  298   2HD2  LEU  36           HD2      LEU  36   9.988   2.146  -2.149
  299   3HD2  LEU  36           HD2      LEU  36   9.347   3.074  -3.503
  300    HA   PRO  37           HA       PRO  37  13.455   8.053  -2.518
  301   1HB   PRO  37           HB2      PRO  37  14.461   8.621  -0.023
  302   2HB   PRO  37           HB1      PRO  37  12.832   9.082  -0.549
  303   1HG   PRO  37           HG2      PRO  37  13.657   6.902   1.313
  304   2HG   PRO  37           HG1      PRO  37  12.131   7.798   1.241
  305   1HD   PRO  37           HD2      PRO  37  12.562   5.189   0.242
  306   2HD   PRO  37           HD1      PRO  37  11.170   6.217  -0.109
  307    H    ARG  38           HN       ARG  38  14.919   5.884  -0.058
  308    HA   ARG  38           HA       ARG  38  17.572   6.257  -1.280
  309   1HB   ARG  38           HB2      ARG  38  18.425   5.122   0.632
  310   2HB   ARG  38           HB1      ARG  38  17.093   6.108   1.237
  311   1HG   ARG  38           HG2      ARG  38  15.827   3.762   0.497
  312   2HG   ARG  38           HG1      ARG  38  17.359   3.189   1.157
  313   1HD   ARG  38           HD2      ARG  38  16.124   5.331   2.747
  314   2HD   ARG  38           HD1      ARG  38  15.148   3.864   2.660
  315    HE   ARG  38           HE       ARG  38  18.021   3.700   3.454
  316   1HH1  ARG  38           HH1      ARG  38  15.529   4.435   5.307
  317   2HH1  ARG  38           HH1      ARG  38  15.369   2.923   6.138
  318   1HH2  ARG  38           HH2      ARG  38  17.448   1.204   3.960
  319   2HH2  ARG  38           HH2      ARG  38  16.456   1.094   5.377
  320    H    ARG  39           HN       ARG  39  15.290   4.745  -2.647
  321    HA   ARG  39           HA       ARG  39  15.681   1.976  -2.687
  322   1HB   ARG  39           HB2      ARG  39  14.183   3.696  -4.165
  323   2HB   ARG  39           HB1      ARG  39  15.404   3.239  -5.354
  324   1HG   ARG  39           HG2      ARG  39  14.342   0.986  -3.774
  325   2HG   ARG  39           HG1      ARG  39  13.154   1.772  -4.816
  326   1HD   ARG  39           HD2      ARG  39  14.603   1.480  -6.757
  327   2HD   ARG  39           HD1      ARG  39  15.874   0.802  -5.740
  328    HE   ARG  39           HE       ARG  39  14.442  -1.168  -5.384
  329   1HH1  ARG  39           HH1      ARG  39  12.417   1.079  -6.775
  330   2HH1  ARG  39           HH1      ARG  39  11.786   0.032  -8.002
  331   1HH2  ARG  39           HH2      ARG  39  14.061  -2.509  -7.376
  332   2HH2  ARG  39           HH2      ARG  39  12.719  -1.998  -8.344
  333    H    GLY  40           HN       GLY  40  17.840   1.329  -2.464
  334   1HA   GLY  40           HA2      GLY  40  20.095   1.011  -3.074
  335   2HA   GLY  40           HA1      GLY  40  19.406   0.796  -4.684
  336    HA   PRO  41           HA       PRO  41  20.903   5.351  -4.217
  337   1HB   PRO  41           HB2      PRO  41  22.804   5.708  -2.263
  338   2HB   PRO  41           HB1      PRO  41  21.068   5.943  -1.994
  339   1HG   PRO  41           HG2      PRO  41  22.816   3.696  -1.107
  340   2HG   PRO  41           HG1      PRO  41  21.315   4.302  -0.387
  341   1HD   PRO  41           HD2      PRO  41  21.564   1.987  -2.000
  342   2HD   PRO  41           HD1      PRO  41  20.044   2.786  -1.546
  343    H    ARG  42           HN       ARG  42  23.268   6.350  -4.527
  344    HA   ARG  42           HA       ARG  42  24.861   4.266  -5.942
  345   1HB   ARG  42           HB2      ARG  42  24.009   6.844  -6.697
  346   2HB   ARG  42           HB1      ARG  42  25.746   6.980  -6.418
  347   1HG   ARG  42           HG2      ARG  42  25.969   4.836  -7.821
  348   2HG   ARG  42           HG1      ARG  42  24.300   5.127  -8.316
  349   1HD   ARG  42           HD2      ARG  42  25.017   6.617  -9.839
  350   2HD   ARG  42           HD1      ARG  42  25.708   7.596  -8.546
  351    HE   ARG  42           HE       ARG  42  27.555   5.536  -8.997
  352   1HH1  ARG  42           HH2      ARG  42  28.227   8.426  -9.345
  353   2HH1  ARG  42           HH2      ARG  42  28.606   8.516 -11.034
  354   1HH2  ARG  42           HH1      ARG  42  27.104   5.487 -11.801
  355   2HH2  ARG  42           HH1      ARG  42  27.969   6.851 -12.424
  356    H    LEU  43           HN       LEU  43  24.828   5.649  -2.987
  357    HA   LEU  43           HA       LEU  43  27.817   5.678  -2.828
  358   1HB   LEU  43           HB2      LEU  43  25.775   7.361  -1.355
  359   2HB   LEU  43           HB1      LEU  43  27.457   7.229  -0.840
  360    HG   LEU  43           HG       LEU  43  27.272   7.767  -3.691
  361   1HD1  LEU  43           HD1      LEU  43  25.284   8.990  -3.352
  362   2HD1  LEU  43           HD1      LEU  43  26.545  10.216  -3.220
  363   3HD1  LEU  43           HD1      LEU  43  25.800   9.559  -1.764
  364   1HD2  LEU  43           HD2      LEU  43  29.079   8.142  -1.706
  365   2HD2  LEU  43           HD2      LEU  43  28.369   9.754  -1.775
  366   3HD2  LEU  43           HD2      LEU  43  29.108   9.054  -3.215
  367    H    GLY  44           HN       GLY  44  26.851   3.243  -2.550
  368   1HA   GLY  44           HA2      GLY  44  27.584   2.329  -0.019
  369   2HA   GLY  44           HA1      GLY  44  25.843   2.598   0.085
  Start of MODEL    4
    1   1H    SER   1           HT1      SER   1 -27.125 -14.349 -29.710
    2   2H    SER   1           HT2      SER   1 -27.881 -13.191 -28.724
    3   3H    SER   1           HT3      SER   1 -27.170 -14.568 -28.028
    4    HA   SER   1           HA       SER   1 -25.526 -12.715 -29.618
    5   1HB   SER   1           HB2      SER   1 -26.150 -12.424 -26.665
    6   2HB   SER   1           HB1      SER   1 -25.041 -11.427 -27.602
    7    HG   SER   1           HG       SER   1 -27.788 -11.384 -27.450
    8    H    THR   2           HN       THR   2 -23.343 -12.658 -28.163
    9    HA   THR   2           HA       THR   2 -22.795 -15.215 -26.837
   10    HB   THR   2           HB       THR   2 -21.405 -14.536 -29.448
   11    HG1  THR   2           HG1      THR   2 -22.891 -16.856 -29.000
   12   1HG2  THR   2           HG2      THR   2 -20.900 -16.460 -27.247
   13   2HG2  THR   2           HG2      THR   2 -19.768 -15.723 -28.381
   14   3HG2  THR   2           HG2      THR   2 -20.753 -17.098 -28.884
   15    H    ASN   3           HN       ASN   3 -20.679 -12.979 -28.644
   16    HA   ASN   3           HA       ASN   3 -18.705 -12.756 -26.657
   17   1HB   ASN   3           HB2      ASN   3 -19.596 -10.961 -28.896
   18   2HB   ASN   3           HB1      ASN   3 -18.381 -10.382 -27.751
   19   1HD2  ASN   3           HD2      ASN   3 -17.408 -10.660 -30.272
   20   2HD2  ASN   3           HD2      ASN   3 -16.475 -12.069 -30.435
   21    HA   PRO   4           HA       PRO   4 -20.556 -10.289 -23.531
   22   1HB   PRO   4           HB2      PRO   4 -18.266  -9.243 -22.427
   23   2HB   PRO   4           HB1      PRO   4 -18.792 -10.918 -22.186
   24   1HG   PRO   4           HG2      PRO   4 -16.588  -9.872 -23.904
   25   2HG   PRO   4           HG1      PRO   4 -16.758 -11.462 -23.141
   26   1HD   PRO   4           HD2      PRO   4 -17.254 -10.870 -25.864
   27   2HD   PRO   4           HD1      PRO   4 -17.737 -12.354 -25.014
   28    H    LYS   5           HN       LYS   5 -19.030  -8.978 -26.221
   29    HA   LYS   5           HA       LYS   5 -19.059  -6.832 -27.171
   30   1HB   LYS   5           HB2      LYS   5 -21.117  -6.422 -24.980
   31   2HB   LYS   5           HB1      LYS   5 -20.782  -5.251 -26.256
   32   1HG   LYS   5           HG2      LYS   5 -21.122  -7.642 -27.637
   33   2HG   LYS   5           HG1      LYS   5 -22.348  -7.714 -26.371
   34   1HD   LYS   5           HD2      LYS   5 -23.258  -5.574 -27.040
   35   2HD   LYS   5           HD1      LYS   5 -21.940  -5.321 -28.185
   36   1HE   LYS   5           HE2      LYS   5 -23.871  -7.648 -28.359
   37   2HE   LYS   5           HE1      LYS   5 -24.094  -6.133 -29.234
   38   1HZ   LYS   5           HZ1      LYS   5 -21.930  -8.123 -29.527
   39   2HZ   LYS   5           HZ2      LYS   5 -21.746  -6.527 -30.079
   40   3HZ   LYS   5           HZ3      LYS   5 -22.974  -7.513 -30.717
   41    HA   PRO   6           HA       PRO   6 -16.208  -5.366 -23.878
   42   1HB   PRO   6           HB2      PRO   6 -13.993  -5.339 -25.508
   43   2HB   PRO   6           HB1      PRO   6 -14.507  -6.757 -24.578
   44   1HG   PRO   6           HG2      PRO   6 -14.748  -6.246 -27.506
   45   2HG   PRO   6           HG1      PRO   6 -14.648  -7.789 -26.640
   46   1HD   PRO   6           HD2      PRO   6 -17.009  -6.620 -27.680
   47   2HD   PRO   6           HD1      PRO   6 -16.931  -7.978 -26.538
   48    H    GLN   7           HN       GLN   7 -15.926  -3.170 -23.582
   49    HA   GLN   7           HA       GLN   7 -16.692  -1.333 -25.706
   50   1HB   GLN   7           HB2      GLN   7 -16.011  -1.156 -22.828
   51   2HB   GLN   7           HB1      GLN   7 -15.635   0.278 -23.785
   52   1HG   GLN   7           HG2      GLN   7 -18.220  -0.710 -24.561
   53   2HG   GLN   7           HG1      GLN   7 -18.175  -0.532 -22.807
   54   1HE2  GLN   7           HE2      GLN   7 -19.729   1.216 -24.514
   55   2HE2  GLN   7           HE2      GLN   7 -19.065   2.775 -24.399
   56    H    ARG   8           HN       ARG   8 -13.889  -0.627 -23.712
   57    HA   ARG   8           HA       ARG   8 -11.881  -1.212 -25.679
   58   1HB   ARG   8           HB2      ARG   8 -13.143   0.664 -26.824
   59   2HB   ARG   8           HB1      ARG   8 -12.638   1.717 -25.503
   60   1HG   ARG   8           HG2      ARG   8 -10.537   1.906 -26.320
   61   2HG   ARG   8           HG1      ARG   8 -10.418   0.173 -26.627
   62   1HD   ARG   8           HD2      ARG   8 -11.321   0.352 -28.768
   63   2HD   ARG   8           HD1      ARG   8 -12.158   1.860 -28.397
   64    HE   ARG   8           HE       ARG   8  -9.931   2.987 -28.491
   65   1HH1  ARG   8           HH2      ARG   8  -8.120   0.665 -28.324
   66   2HH1  ARG   8           HH2      ARG   8  -7.689   0.388 -29.979
   67   1HH2  ARG   8           HH1      ARG   8 -10.310   2.266 -31.253
   68   2HH2  ARG   8           HH1      ARG   8  -8.929   1.294 -31.637
   69    H    LYS   9           HN       LYS   9 -10.575  -1.837 -23.959
   70    HA   LYS   9           HA       LYS   9  -9.271   0.293 -22.458
   71   1HB   LYS   9           HB2      LYS   9 -11.207   0.071 -21.026
   72   2HB   LYS   9           HB1      LYS   9 -11.065  -1.687 -21.028
   73   1HG   LYS   9           HG2      LYS   9  -9.511  -1.656 -19.389
   74   2HG   LYS   9           HG1      LYS   9  -8.587  -0.387 -20.193
   75   1HD   LYS   9           HD2      LYS   9 -10.608   1.131 -19.381
   76   2HD   LYS   9           HD1      LYS   9 -10.784  -0.143 -18.175
   77   1HE   LYS   9           HE2      LYS   9  -8.688   0.269 -17.236
   78   2HE   LYS   9           HE1      LYS   9  -8.066   1.017 -18.706
   79   1HZ   LYS   9           HZ1      LYS   9  -8.638   2.979 -17.898
   80   2HZ   LYS   9           HZ2      LYS   9  -9.268   2.255 -16.497
   81   3HZ   LYS   9           HZ3      LYS   9 -10.265   2.505 -17.850
   82    H    THR  10           HN       THR  10  -9.685  -2.981 -21.225
   83    HA   THR  10           HA       THR  10  -7.591  -4.295 -22.573
   84    HB   THR  10           HB       THR  10  -5.990  -2.723 -21.799
   85    HG1  THR  10           HG1      THR  10  -5.348  -4.838 -21.363
   86   1HG2  THR  10           HG2      THR  10  -6.047  -2.472 -19.095
   87   2HG2  THR  10           HG2      THR  10  -7.768  -2.656 -19.434
   88   3HG2  THR  10           HG2      THR  10  -6.855  -1.353 -20.193
   89    H    LYS  11           HN       LYS  11  -6.696  -6.152 -21.122
   90    HA   LYS  11           HA       LYS  11  -8.880  -7.610 -20.046
   91   1HB   LYS  11           HB2      LYS  11  -5.916  -7.934 -19.477
   92   2HB   LYS  11           HB1      LYS  11  -7.157  -9.139 -19.131
   93   1HG   LYS  11           HG2      LYS  11  -7.725  -8.729 -21.716
   94   2HG   LYS  11           HG1      LYS  11  -6.018  -8.289 -21.755
   95   1HD   LYS  11           HD2      LYS  11  -5.387 -10.436 -20.808
   96   2HD   LYS  11           HD1      LYS  11  -7.081 -10.873 -20.581
   97   1HE   LYS  11           HE2      LYS  11  -6.045 -11.893 -22.632
   98   2HE   LYS  11           HE1      LYS  11  -7.459 -10.897 -22.974
   99   1HZ   LYS  11           HZ1      LYS  11  -6.239  -9.442 -24.113
  100   2HZ   LYS  11           HZ2      LYS  11  -5.026 -10.631 -24.137
  101   3HZ   LYS  11           HZ3      LYS  11  -5.002  -9.413 -22.953
  102    H    ARG  12           HN       ARG  12  -8.651  -8.506 -17.630
  103    HA   ARG  12           HA       ARG  12  -7.793  -6.469 -15.701
  104   1HB   ARG  12           HB2      ARG  12 -10.320  -6.145 -16.717
  105   2HB   ARG  12           HB1      ARG  12 -10.634  -7.156 -15.306
  106   1HG   ARG  12           HG2      ARG  12 -10.419  -5.347 -13.990
  107   2HG   ARG  12           HG1      ARG  12  -8.740  -5.195 -14.509
  108   1HD   ARG  12           HD2      ARG  12  -9.879  -4.114 -16.662
  109   2HD   ARG  12           HD1      ARG  12 -11.170  -3.772 -15.510
  110    HE   ARG  12           HE       ARG  12  -9.774  -1.981 -14.882
  111   1HH1  ARG  12           HH1      ARG  12  -7.541  -2.720 -16.777
  112   2HH1  ARG  12           HH1      ARG  12  -6.226  -2.987 -15.681
  113   1HH2  ARG  12           HH2      ARG  12  -8.260  -3.242 -12.884
  114   2HH2  ARG  12           HH2      ARG  12  -6.633  -3.282 -13.477
  115    H    ASN  13           HN       ASN  13  -6.595  -8.043 -14.625
  116    HA   ASN  13           HA       ASN  13  -8.128 -10.393 -13.586
  117   1HB   ASN  13           HB2      ASN  13  -6.196 -10.964 -15.050
  118   2HB   ASN  13           HB1      ASN  13  -5.128 -10.100 -13.942
  119   1HD2  ASN  13           HD2      ASN  13  -6.319 -13.172 -14.632
  120   2HD2  ASN  13           HD2      ASN  13  -6.061 -13.896 -13.119
  121    H    THR  14           HN       THR  14  -5.238  -8.491 -12.646
  122    HA   THR  14           HA       THR  14  -6.471  -8.092  -9.969
  123    HB   THR  14           HB       THR  14  -5.017 -10.107  -9.825
  124    HG1  THR  14           HG1      THR  14  -4.016  -7.770  -8.570
  125   1HG2  THR  14           HG2      THR  14  -3.348  -8.538 -11.504
  126   2HG2  THR  14           HG2      THR  14  -3.060 -10.178 -10.924
  127   3HG2  THR  14           HG2      THR  14  -2.471  -8.798  -9.997
  128    H    ASN  15           HN       ASN  15  -6.686  -5.888 -10.850
  129    HA   ASN  15           HA       ASN  15  -4.677  -4.255 -11.871
  130   1HB   ASN  15           HB2      ASN  15  -7.181  -3.739 -11.238
  131   2HB   ASN  15           HB1      ASN  15  -6.473  -3.154  -9.732
  132   1HD2  ASN  15           HD2      ASN  15  -7.384  -1.003 -10.709
  133   2HD2  ASN  15           HD2      ASN  15  -6.339  -0.135 -11.728
  134    H    ARG  16           HN       ARG  16  -2.624  -4.723 -10.956
  135    HA   ARG  16           HA       ARG  16  -2.176  -4.565  -8.092
  136   1HB   ARG  16           HB2      ARG  16  -0.754  -5.365 -10.504
  137   2HB   ARG  16           HB1      ARG  16   0.261  -4.411  -9.432
  138   1HG   ARG  16           HG2      ARG  16  -1.317  -6.295  -7.913
  139   2HG   ARG  16           HG1      ARG  16  -0.394  -7.130  -9.163
  140   1HD   ARG  16           HD2      ARG  16   0.786  -5.139  -7.203
  141   2HD   ARG  16           HD1      ARG  16   0.877  -6.891  -7.021
  142    HE   ARG  16           HE       ARG  16   2.564  -5.314  -8.727
  143   1HH1  ARG  16           HH1      ARG  16   1.068  -8.360  -8.209
  144   2HH1  ARG  16           HH1      ARG  16   1.953  -9.166  -9.460
  145   1HH2  ARG  16           HH2      ARG  16   3.594  -6.297 -10.512
  146   2HH2  ARG  16           HH2      ARG  16   3.383  -7.998 -10.764
  147    H    ARG  17           HN       ARG  17  -0.035  -3.213  -7.699
  148    HA   ARG  17           HA       ARG  17   1.090  -1.040  -8.266
  149   1HB   ARG  17           HB2      ARG  17  -0.762  -0.258  -9.746
  150   2HB   ARG  17           HB1      ARG  17  -1.752   0.026  -8.320
  151   1HG   ARG  17           HG2      ARG  17  -0.765   2.130  -8.820
  152   2HG   ARG  17           HG1      ARG  17   0.162   1.491  -7.462
  153   1HD   ARG  17           HD2      ARG  17   1.903   0.693  -8.978
  154   2HD   ARG  17           HD1      ARG  17   0.962   1.217 -10.374
  155    HE   ARG  17           HE       ARG  17   2.395   2.997  -8.489
  156   1HH1  ARG  17           HH1      ARG  17   1.763   2.482 -11.682
  157   2HH1  ARG  17           HH1      ARG  17   1.298   4.107 -12.064
  158   1HH2  ARG  17           HH2      ARG  17   1.160   5.128  -8.753
  159   2HH2  ARG  17           HH2      ARG  17   0.957   5.604 -10.406
  160    HA   PRO  18           HA       PRO  18  -0.780  -0.002  -4.013
  161   1HB   PRO  18           HB2      PRO  18  -2.993  -1.390  -3.208
  162   2HB   PRO  18           HB1      PRO  18  -3.083   0.118  -4.110
  163   1HG   PRO  18           HG2      PRO  18  -3.622  -2.638  -5.054
  164   2HG   PRO  18           HG1      PRO  18  -4.238  -1.100  -5.681
  165   1HD   PRO  18           HD2      PRO  18  -2.124  -2.658  -6.774
  166   2HD   PRO  18           HD1      PRO  18  -2.599  -1.022  -7.266
  167    H    GLN  19           HN       GLN  19  -1.139  -3.166  -5.185
  168    HA   GLN  19           HA       GLN  19  -0.314  -4.536  -2.746
  169   1HB   GLN  19           HB2      GLN  19  -1.410  -5.162  -5.363
  170   2HB   GLN  19           HB1      GLN  19  -0.333  -6.351  -4.673
  171   1HG   GLN  19           HG2      GLN  19  -1.911  -7.040  -3.233
  172   2HG   GLN  19           HG1      GLN  19  -2.101  -5.389  -2.644
  173   1HE2  GLN  19           HE2      GLN  19  -3.784  -4.060  -3.609
  174   2HE2  GLN  19           HE2      GLN  19  -5.004  -4.735  -4.578
  175    H    ASP  20           HN       ASP  20   1.494  -2.881  -3.658
  176    HA   ASP  20           HA       ASP  20   3.821  -4.602  -4.101
  177   1HB   ASP  20           HB2      ASP  20   3.336  -4.188  -6.356
  178   2HB   ASP  20           HB1      ASP  20   2.901  -2.523  -6.081
  179    H    VAL  21           HN       VAL  21   2.544  -1.303  -3.869
  180    HA   VAL  21           HA       VAL  21   5.091  -0.401  -2.948
  181    HB   VAL  21           HB       VAL  21   2.404   0.994  -2.893
  182   1HG1  VAL  21           HG1      VAL  21   5.183   1.908  -2.156
  183   2HG1  VAL  21           HG1      VAL  21   3.682   2.114  -1.255
  184   3HG1  VAL  21           HG1      VAL  21   3.968   3.057  -2.717
  185   1HG2  VAL  21           HG2      VAL  21   4.112   2.270  -4.685
  186   2HG2  VAL  21           HG2      VAL  21   2.810   1.160  -5.114
  187   3HG2  VAL  21           HG2      VAL  21   4.458   0.558  -4.931
  188    H    LYS  22           HN       LYS  22   2.999  -2.307  -1.509
  189    HA   LYS  22           HA       LYS  22   3.372  -1.195   1.168
  190   1HB   LYS  22           HB2      LYS  22   1.676  -2.973   1.739
  191   2HB   LYS  22           HB1      LYS  22   1.075  -1.741   0.618
  192   1HG   LYS  22           HG2      LYS  22   1.087  -3.157  -1.171
  193   2HG   LYS  22           HG1      LYS  22   2.510  -4.011  -0.580
  194   1HD   LYS  22           HD2      LYS  22   0.377  -5.362  -0.555
  195   2HD   LYS  22           HD1      LYS  22   1.248  -5.280   0.977
  196   1HE   LYS  22           HE2      LYS  22  -0.244  -3.388   1.664
  197   2HE   LYS  22           HE1      LYS  22  -1.169  -3.627   0.181
  198   1HZ   LYS  22           HZ1      LYS  22  -2.319  -5.172   1.244
  199   2HZ   LYS  22           HZ2      LYS  22  -1.326  -5.047   2.618
  200   3HZ   LYS  22           HZ3      LYS  22  -0.914  -6.116   1.363
  201    H    PHE  23           HN       PHE  23   4.983  -2.916  -0.918
  202    HA   PHE  23           HA       PHE  23   6.330  -4.793  -0.956
  203   1HB   PHE  23           HB2      PHE  23   6.779  -3.692   1.760
  204   2HB   PHE  23           HB1      PHE  23   7.915  -4.676   0.837
  205    HD1  PHE  23           HD1      PHE  23   9.034  -3.818  -1.129
  206    HD2  PHE  23           HD2      PHE  23   6.125  -1.471   0.974
  207    HE1  PHE  23           HE1      PHE  23   9.588  -1.868  -2.540
  208    HE2  PHE  23           HE2      PHE  23   6.685   0.487  -0.416
  209    HZ   PHE  23           HZ       PHE  23   8.432   0.302  -2.179
  210    HA   PRO  24           HA       PRO  24   3.026  -7.140   1.032
  211   1HB   PRO  24           HB2      PRO  24   2.267  -8.218  -1.362
  212   2HB   PRO  24           HB1      PRO  24   1.679  -6.655  -0.773
  213   1HG   PRO  24           HG2      PRO  24   3.676  -7.234  -2.908
  214   2HG   PRO  24           HG1      PRO  24   2.565  -5.866  -2.737
  215   1HD   PRO  24           HD2      PRO  24   5.302  -5.832  -2.080
  216   2HD   PRO  24           HD1      PRO  24   4.106  -4.626  -1.571
  217    H    GLY  25           HN       GLY  25   6.017  -7.751  -0.338
  218   1HA   GLY  25           HA2      GLY  25   6.068 -10.482  -0.971
  219   2HA   GLY  25           HA1      GLY  25   7.409  -9.644  -0.184
  220    H    GLY  26           HN       GLY  26   5.506  -8.933   2.082
  221   1HA   GLY  26           HA2      GLY  26   4.276 -10.404   3.720
  222   2HA   GLY  26           HA1      GLY  26   5.523 -11.613   3.409
  223    H    GLY  27           HN       GLY  27   5.891  -8.090   3.927
  224   1HA   GLY  27           HA2      GLY  27   7.589  -8.787   6.288
  225   2HA   GLY  27           HA1      GLY  27   7.969  -7.460   5.189
  226    H    GLN  28           HN       GLN  28   6.915  -5.494   5.467
  227    HA   GLN  28           HA       GLN  28   4.862  -5.335   7.607
  228   1HB   GLN  28           HB2      GLN  28   7.552  -4.491   7.744
  229   2HB   GLN  28           HB1      GLN  28   6.577  -3.033   7.577
  230   1HG   GLN  28           HG2      GLN  28   5.048  -4.151   9.347
  231   2HG   GLN  28           HG1      GLN  28   6.458  -5.153   9.685
  232   1HE2  GLN  28           HE2      GLN  28   7.324  -4.280  11.601
  233   2HE2  GLN  28           HE2      GLN  28   7.683  -2.638  11.829
  234    H    ILE  29           HN       ILE  29   6.352  -3.893   4.777
  235    HA   ILE  29           HA       ILE  29   5.350  -2.667   3.030
  236    HB   ILE  29           HB       ILE  29   3.080  -2.318   2.871
  237   1HG1  ILE  29           HG1      ILE  29   1.757  -2.111   5.227
  238   2HG1  ILE  29           HG1      ILE  29   3.327  -1.471   5.713
  239   1HG2  ILE  29           HG2      ILE  29   2.274  -4.362   3.312
  240   2HG2  ILE  29           HG2      ILE  29   2.361  -4.093   5.052
  241   3HG2  ILE  29           HG2      ILE  29   3.774  -4.688   4.179
  242   1HD1  ILE  29           HD1      ILE  29   3.127   0.389   4.413
  243   2HD1  ILE  29           HD1      ILE  29   1.402   0.039   4.534
  244   3HD1  ILE  29           HD1      ILE  29   2.311  -0.484   3.115
  245    H    VAL  30           HN       VAL  30   5.904  -1.745   6.210
  246    HA   VAL  30           HA       VAL  30   5.697   1.134   5.538
  247    HB   VAL  30           HB       VAL  30   6.433  -0.239   8.136
  248   1HG1  VAL  30           HG1      VAL  30   6.349   2.571   7.232
  249   2HG1  VAL  30           HG1      VAL  30   7.219   1.851   8.588
  250   3HG1  VAL  30           HG1      VAL  30   5.514   2.269   8.756
  251   1HG2  VAL  30           HG2      VAL  30   4.214  -0.666   8.271
  252   2HG2  VAL  30           HG2      VAL  30   3.875   0.306   6.839
  253   3HG2  VAL  30           HG2      VAL  30   3.985   1.076   8.422
  254    H    GLY  31           HN       GLY  31   7.773  -1.005   4.632
  255   1HA   GLY  31           HA2      GLY  31  10.111   0.659   5.371
  256   2HA   GLY  31           HA1      GLY  31  10.253  -1.080   5.337
  257    H    GLY  32           HN       GLY  32   8.461  -1.011   2.801
  258   1HA   GLY  32           HA2      GLY  32  10.753  -0.639   1.062
  259   2HA   GLY  32           HA1      GLY  32   9.239  -1.263   0.508
  260    H    VAL  33           HN       VAL  33   7.954   1.074   1.888
  261    HA   VAL  33           HA       VAL  33   8.098   2.983  -0.324
  262    HB   VAL  33           HB       VAL  33   6.707   2.944   2.365
  263   1HG1  VAL  33           HG1      VAL  33   7.438   5.261   1.914
  264   2HG1  VAL  33           HG1      VAL  33   5.687   5.117   1.754
  265   3HG1  VAL  33           HG1      VAL  33   6.702   5.187   0.314
  266   1HG2  VAL  33           HG2      VAL  33   4.694   3.156   0.792
  267   2HG2  VAL  33           HG2      VAL  33   5.576   1.631   0.714
  268   3HG2  VAL  33           HG2      VAL  33   5.820   2.856  -0.531
  269    H    TYR  34           HN       TYR  34   9.818   2.183   2.334
  270    HA   TYR  34           HA       TYR  34  11.107   4.798   2.788
  271   1HB   TYR  34           HB2      TYR  34  11.277   2.205   4.373
  272   2HB   TYR  34           HB1      TYR  34  11.711   3.823   4.930
  273    HD1  TYR  34           HD1      TYR  34  10.059   5.319   5.770
  274    HD2  TYR  34           HD2      TYR  34   8.846   1.740   3.742
  275    HE1  TYR  34           HE1      TYR  34   7.704   5.791   6.322
  276    HE2  TYR  34           HE2      TYR  34   6.504   2.206   4.290
  277    HH   TYR  34           HH       TYR  34   5.439   5.206   5.428
  278    H    LEU  35           HN       LEU  35  11.360   1.761   1.300
  279    HA   LEU  35           HA       LEU  35  14.304   1.750   1.100
  280   1HB   LEU  35           HB2      LEU  35  12.080  -0.097   0.180
  281   2HB   LEU  35           HB1      LEU  35  13.754  -0.341  -0.307
  282    HG   LEU  35           HG       LEU  35  13.197   0.107   2.577
  283   1HD1  LEU  35           HD1      LEU  35  11.801  -1.665   2.731
  284   2HD1  LEU  35           HD1      LEU  35  13.146  -2.686   2.220
  285   3HD1  LEU  35           HD1      LEU  35  12.020  -2.047   1.023
  286   1HD2  LEU  35           HD2      LEU  35  15.166  -1.467   0.910
  287   2HD2  LEU  35           HD2      LEU  35  15.034  -1.705   2.652
  288   3HD2  LEU  35           HD2      LEU  35  15.492  -0.128   2.011
  289    H    LEU  36           HN       LEU  36  11.944   3.476  -0.143
  290    HA   LEU  36           HA       LEU  36  12.413   3.248  -2.990
  291   1HB   LEU  36           HB2      LEU  36  10.994   5.460  -1.493
  292   2HB   LEU  36           HB1      LEU  36  10.839   5.074  -3.202
  293    HG   LEU  36           HG       LEU  36   9.970   3.402  -0.848
  294   1HD1  LEU  36           HD1      LEU  36   8.671   5.101  -2.896
  295   2HD1  LEU  36           HD1      LEU  36   8.118   4.668  -1.279
  296   3HD1  LEU  36           HD1      LEU  36   7.894   3.543  -2.618
  297   1HD2  LEU  36           HD2      LEU  36  10.486   2.686  -3.718
  298   2HD2  LEU  36           HD2      LEU  36   9.142   1.916  -2.876
  299   3HD2  LEU  36           HD2      LEU  36  10.785   1.736  -2.263
  300    HA   PRO  37           HA       PRO  37  14.799   7.320  -2.278
  301   1HB   PRO  37           HB2      PRO  37  15.483   7.942   0.314
  302   2HB   PRO  37           HB1      PRO  37  13.986   8.480  -0.460
  303   1HG   PRO  37           HG2      PRO  37  14.368   6.336   1.580
  304   2HG   PRO  37           HG1      PRO  37  12.946   7.344   1.260
  305   1HD   PRO  37           HD2      PRO  37  13.293   4.663   0.422
  306   2HD   PRO  37           HD1      PRO  37  12.055   5.782  -0.163
  307    H    ARG  38           HN       ARG  38  16.450   6.501   0.667
  308    HA   ARG  38           HA       ARG  38  18.682   5.439  -0.890
  309   1HB   ARG  38           HB2      ARG  38  19.866   5.825   1.327
  310   2HB   ARG  38           HB1      ARG  38  19.194   7.252   0.539
  311   1HG   ARG  38           HG2      ARG  38  17.643   7.610   2.150
  312   2HG   ARG  38           HG1      ARG  38  17.339   5.888   2.378
  313   1HD   ARG  38           HD2      ARG  38  18.403   6.395   4.379
  314   2HD   ARG  38           HD1      ARG  38  19.785   5.921   3.393
  315    HE   ARG  38           HE       ARG  38  19.478   8.477   4.542
  316   1HH1  ARG  38           HH1      ARG  38  21.960   7.597   3.128
  317   2HH1  ARG  38           HH1      ARG  38  22.016   8.680   1.777
  318   1HH2  ARG  38           HH2      ARG  38  18.700   9.646   2.074
  319   2HH2  ARG  38           HH2      ARG  38  20.170   9.840   1.180
  320    H    ARG  39           HN       ARG  39  18.621   4.513   2.344
  321    HA   ARG  39           HA       ARG  39  18.048   1.711   1.567
  322   1HB   ARG  39           HB2      ARG  39  20.148   2.915   3.037
  323   2HB   ARG  39           HB1      ARG  39  19.191   1.993   4.194
  324   1HG   ARG  39           HG2      ARG  39  19.278   0.063   2.538
  325   2HG   ARG  39           HG1      ARG  39  20.488   0.996   1.655
  326   1HD   ARG  39           HD2      ARG  39  21.746  -0.414   3.097
  327   2HD   ARG  39           HD1      ARG  39  21.752   1.162   3.886
  328    HE   ARG  39           HE       ARG  39  19.639   0.071   5.117
  329   1HH1  ARG  39           HH2      ARG  39  20.804  -2.571   3.936
  330   2HH1  ARG  39           HH2      ARG  39  21.629  -3.182   5.332
  331   1HH2  ARG  39           HH1      ARG  39  21.500  -0.175   7.053
  332   2HH2  ARG  39           HH1      ARG  39  22.021  -1.826   7.096
  333    H    GLY  40           HN       GLY  40  16.898   4.367   3.423
  334   1HA   GLY  40           HA2      GLY  40  14.607   4.308   4.290
  335   2HA   GLY  40           HA1      GLY  40  14.827   2.590   4.629
  336    HA   PRO  41           HA       PRO  41  17.273   5.014   7.975
  337   1HB   PRO  41           HB2      PRO  41  16.830   7.727   8.052
  338   2HB   PRO  41           HB1      PRO  41  18.136   6.973   7.121
  339   1HG   PRO  41           HG2      PRO  41  15.577   8.154   6.147
  340   2HG   PRO  41           HG1      PRO  41  17.122   7.971   5.301
  341   1HD   PRO  41           HD2      PRO  41  14.841   6.323   4.972
  342   2HD   PRO  41           HD1      PRO  41  16.479   5.973   4.381
  343    H    ARG  42           HN       ARG  42  16.537   5.663  10.131
  344    HA   ARG  42           HA       ARG  42  13.567   5.610  10.368
  345   1HB   ARG  42           HB2      ARG  42  14.106   5.069  12.801
  346   2HB   ARG  42           HB1      ARG  42  14.589   3.846  11.627
  347   1HG   ARG  42           HG2      ARG  42  16.794   4.142  12.060
  348   2HG   ARG  42           HG1      ARG  42  16.640   5.899  12.074
  349   1HD   ARG  42           HD2      ARG  42  15.305   5.251  14.363
  350   2HD   ARG  42           HD1      ARG  42  16.526   3.979  14.319
  351    HE   ARG  42           HE       ARG  42  18.188   5.625  14.702
  352   1HH1  ARG  42           HH1      ARG  42  15.357   6.946  15.591
  353   2HH1  ARG  42           HH1      ARG  42  15.735   8.589  15.191
  354   1HH2  ARG  42           HH2      ARG  42  18.603   7.778  13.420
  355   2HH2  ARG  42           HH2      ARG  42  17.573   9.059  13.963
  356    H    LEU  43           HN       LEU  43  12.860   7.719  10.328
  357    HA   LEU  43           HA       LEU  43  14.227   9.630  12.182
  358   1HB   LEU  43           HB2      LEU  43  12.935  10.044   9.488
  359   2HB   LEU  43           HB1      LEU  43  13.113  11.383  10.622
  360    HG   LEU  43           HG       LEU  43  15.603  10.521  10.778
  361   1HD1  LEU  43           HD1      LEU  43  14.504   9.267   8.277
  362   2HD1  LEU  43           HD1      LEU  43  15.618   8.588   9.464
  363   3HD1  LEU  43           HD1      LEU  43  16.184   9.803   8.316
  364   1HD2  LEU  43           HD2      LEU  43  14.684  12.714   9.834
  365   2HD2  LEU  43           HD2      LEU  43  14.716  11.934   8.252
  366   3HD2  LEU  43           HD2      LEU  43  16.215  12.166   9.151
  367    H    GLY  44           HN       GLY  44  12.520   8.234  13.554
  368   1HA   GLY  44           HA2      GLY  44   9.750   9.107  13.301
  369   2HA   GLY  44           HA1      GLY  44  10.417   8.154  14.627