*HEADER    STRUCTURAL GENOMICS, UNKNOWN FUNCTION   04-APR-07   2JOV              
*TITLE     NMR STRUCTURE OF CLOSTRIDIUM PERFRINGENS PROTEIN CPE0013.             
*TITLE    2 NORTHEAST STRUCTURAL GENOMICS TARGET CPR31.                          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HYPOTHETICAL PROTEIN CPE0013;                              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM PERFRINGENS;                        
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR: PET21                                      
*KEYWDS    ALPHA + BETA SANDWICH, STRUCTURAL GENOMICS, PSI-2, PROTEIN            
*KEYWDS   2 STRUCTURE INITIATIVE, NORTHEAST STRUCTURAL GENOMICS                  
*KEYWDS   3 CONSORTIUM, NESG                                                     
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    K.DING, T.A.RAMELOT, C.G.ANKLIN, H.WANG, C.NWOSU,                     
*AUTHOR   2 K.CUNNINGHAM, L.MA, R.XIAO, J.LIU, M.C.BARAN, G.V.T.SWAPNA,          
*AUTHOR   3 T.B.ACTON, B.ROST, G.T.MONTELIONE, M.A.KENNEDY, NORTHEAST            
*AUTHOR   4 STRUCTURAL GENOMICS CONSORTIUM (NESG)                                
*REVDAT   1   08-MAY-07 2JOV    0                                                


assign (resid   3  and name  HA )(resid   31  and name  HG2#  )  1.8  0.0  3.2
assign (resid   3  and name  HA )(resid   4  and name  HN  )  1.8  0.0  1.1
assign (resid   3  and name  HB# )(resid   28  and name  HB#  )  1.8  0.0  3.2
assign (resid   3  and name  HB# )(resid   29  and name  HN  )  1.8  0.0  3.2
assign (resid   3  and name  HB# )(resid   30  and name  HA  )  1.8  0.0  3.2
assign (resid   3  and name  HD# )(resid   30  and name  HA  )  1.8  0.0  3.2
assign (resid   3  and name  HD# )(resid   30  and name  HG1  )  1.8  0.0  3.2
assign (resid   3  and name  HD# )(resid   30  and name  HG2  )  1.8  0.0  3.2
assign (resid   3  and name  HD# )(resid   30  and name  HN  )  1.8  0.0  3.2
assign (resid   3  and name  HE# )(resid   30  and name  HG1  )  1.8  0.0  3.2
assign (resid   3  and name  HE# )(resid   30  and name  HG2  )  1.8  0.0  3.2
assign (resid   3  and name  HE# )(resid   30  and name  HN  )  1.8  0.0  3.2
assign (resid   3  and name  HG# )(resid   30  and name  HA  )  1.8  0.0  3.2
assign (resid   3  and name  HG# )(resid   30  and name  HG1  )  1.8  0.0  3.2
assign (resid   3  and name  HG# )(resid   30  and name  HG2  )  1.8  0.0  3.2
assign (resid   4  and name  HA )(resid   28  and name  HB#  )  1.8  0.0  3.2
assign (resid   4  and name  HA )(resid   5  and name  HN  )  1.8  0.0  1.1
assign (resid   4  and name  HB# )(resid   31  and name  HD1#  )  1.8  0.0  3.2
assign (resid   4  and name  HB# )(resid   31  and name  HG2#  )  1.8  0.0  3.2
assign (resid   4  and name  HN )(resid   29  and name  HG##  )  1.8  0.0  3.2
assign (resid   4  and name  HN )(resid   29  and name  HN  )  1.8  0.0  2.2
assign (resid   4  and name  HN )(resid   30  and name  HA  )  1.8  0.0  2.2
assign (resid   4  and name  HN )(resid   31  and name  HG2#  )  1.8  0.0  3.2
assign (resid   4  and name  HN )(resid   5  and name  HN  )  1.8  0.0  3.2
assign (resid   5  and name  HA )(resid   28  and name  HA  )  1.8  0.0  1.2
assign (resid   5  and name  HA )(resid   29  and name  HN  )  1.8  0.0  2.2
assign (resid   5  and name  HA )(resid   6  and name  HN  )  1.8  0.0  1.1
assign (resid   5  and name  HB )(resid   6  and name  HN  )  1.8  0.0  3.2
assign (resid   5  and name  HD1# )(resid   25  and name  HA  )  1.8  0.0  3.2
assign (resid   5  and name  HD1# )(resid   27  and name  HA  )  1.8  0.0  3.2
assign (resid   5  and name  HD1# )(resid   27  and name  HN  )  1.8  0.0  3.2
assign (resid   5  and name  HD1# )(resid   28  and name  HA  )  1.8  0.0  3.2
assign (resid   5  and name  HD1# )(resid   28  and name  HD1  )  1.8  0.0  3.2
assign (resid   5  and name  HD1# )(resid   28  and name  HD2  )  1.8  0.0  3.2
assign (resid   5  and name  HD1# )(resid   28  and name  HG1  )  1.8  0.0  3.2
assign (resid   5  and name  HD1# )(resid   28  and name  HG2  )  1.8  0.0  3.2
assign (resid   5  and name  HD1# )(resid   29  and name  HN  )  1.8  0.0  3.2
assign (resid   5  and name  HD1# )(resid   6  and name  HN  )  1.8  0.0  3.2
assign (resid   5  and name  HG1# )(resid   28  and name  HB#  )  1.8  0.0  3.2
assign (resid   5  and name  HG2# )(resid   24  and name  HA  )  1.8  0.0  3.2
assign (resid   5  and name  HG2# )(resid   24  and name  HB#  )  1.8  0.0  3.2
assign (resid   5  and name  HG2# )(resid   25  and name  HA  )  1.8  0.0  3.2
assign (resid   5  and name  HG2# )(resid   25  and name  HN  )  1.8  0.0  3.2
assign (resid   5  and name  HG2# )(resid   29  and name  HN  )  1.8  0.0  3.2
assign (resid   5  and name  HG2# )(resid   6  and name  HN  )  1.8  0.0  3.2
assign (resid   5  and name  HN )(resid   29  and name  HG##  )  1.8  0.0  3.2
assign (resid   6  and name  HA )(resid   7  and name  HN  )  1.8  0.0  1.1
assign (resid   6  and name  HB# )(resid   25  and name  HB#  )  1.8  0.0  3.2
assign (resid   6  and name  HB# )(resid   25  and name  HN  )  1.8  0.0  3.2
assign (resid   6  and name  HB# )(resid   29  and name  HG1#  )  1.8  0.0  3.2
assign (resid   6  and name  HB# )(resid   29  and name  HG2#  )  1.8  0.0  3.2
assign (resid   6  and name  HB# )(resid   67  and name  HD1#  )  1.8  0.0  3.2
assign (resid   6  and name  HD# )(resid   25  and name  HN  )  1.8  0.0  3.2
assign (resid   6  and name  HD# )(resid   34  and name  HA  )  1.8  0.0  3.2
assign (resid   6  and name  HD# )(resid   67  and name  HD1#  )  1.8  0.0  3.2
assign (resid   6  and name  HE# )(resid   23  and name  HG##  )  1.8  0.0  3.2
assign (resid   6  and name  HE# )(resid   34  and name  HA  )  1.8  0.0  3.2
assign (resid   6  and name  HE# )(resid   37  and name  HB#  )  1.8  0.0  3.2
assign (resid   6  and name  HE# )(resid   38  and name  HN  )  1.8  0.0  3.2
assign (resid   6  and name  HE# )(resid   41  and name  HD1#  )  1.8  0.0  3.2
assign (resid   6  and name  HE# )(resid   41  and name  HD##  )  1.8  0.0  3.2
assign (resid   6  and name  HE# )(resid   67  and name  HG2#  )  1.8  0.0  3.2
assign (resid   6  and name  HE# )(resid   8  and name  HB#  )  1.8  0.0  3.2
assign (resid   6  and name  HN )(resid   25  and name  HB#  )  1.8  0.0  3.2
assign (resid   6  and name  HN )(resid   25  and name  HN  )  1.8  0.0  2.2
assign (resid   6  and name  HN )(resid   28  and name  HA  )  1.8  0.0  2.2
assign (resid   6  and name  HN )(resid   29  and name  HB  )  1.8  0.0  3.2
assign (resid   6  and name  HN )(resid   29  and name  HG##  )  1.8  0.0  3.2
assign (resid   6  and name  HN )(resid   29  and name  HG2#  )  1.8  0.0  3.2
assign (resid   7  and name  HA )(resid   24  and name  HA  )  1.8  0.0  1.2
assign (resid   7  and name  HA )(resid   25  and name  HN  )  1.8  0.0  2.2
assign (resid   7  and name  HA )(resid   8  and name  HN  )  1.8  0.0  1.1
assign (resid   7  and name  HB )(resid   8  and name  HN  )  1.8  0.0  3.2
assign (resid   7  and name  HG2# )(resid   24  and name  HA  )  1.8  0.0  3.2
assign (resid   7  and name  HG2# )(resid   24  and name  HB#  )  1.8  0.0  3.2
assign (resid   7  and name  HG2# )(resid   25  and name  HN  )  1.8  0.0  3.2
assign (resid   7  and name  HG2# )(resid   8  and name  HN  )  1.8  0.0  3.2
assign (resid   8  and name  HA )(resid   9  and name  HN  )  1.8  0.0  1.7
assign (resid   8  and name  HB# )(resid   23  and name  HG1#  )  1.8  0.0  3.2
assign (resid   8  and name  HB# )(resid   23  and name  HG2#  )  1.8  0.0  3.2
assign (resid   8  and name  HB# )(resid   41  and name  HD1#  )  1.8  0.0  3.2
assign (resid   8  and name  HB# )(resid   41  and name  HD2#  )  1.8  0.0  3.2
assign (resid   8  and name  HN )(resid   23  and name  HG1#  )  1.8  0.0  3.2
assign (resid   8  and name  HN )(resid   23  and name  HG##  )  1.8  0.0  3.2
assign (resid   8  and name  HN )(resid   23  and name  HN  )  1.8  0.0  2.2
assign (resid   8  and name  HN )(resid   24  and name  HA  )  1.8  0.0  2.2
assign (resid   8  and name  HN )(resid   41  and name  HD##  )  1.8  0.0  3.2
assign (resid   9  and name  HA )(resid   10  and name  HN  )  1.8  0.0  1.1
assign (resid   9  and name  HA )(resid   22  and name  HA  )  1.8  0.0  1.2
assign (resid   9  and name  HA )(resid   23  and name  HG1#  )  1.8  0.0  3.2
assign (resid   9  and name  HA )(resid   23  and name  HG2#  )  1.8  0.0  3.2
assign (resid   9  and name  HA )(resid   23  and name  HN  )  1.8  0.0  2.2
assign (resid   9  and name  HB )(resid   10  and name  HN  )  1.8  0.0  3.2
assign (resid   9  and name  HG## )(resid   10  and name  HN  )  1.8  0.0  3.2
assign (resid   9  and name  HG## )(resid   22  and name  HA  )  1.8  0.0  3.2
assign (resid   9  and name  HG## )(resid   22  and name  HB#  )  1.8  0.0  3.2
assign (resid   9  and name  HG## )(resid   22  and name  HG#  )  1.8  0.0  3.2
assign (resid   9  and name  HN )(resid   10  and name  HN  )  1.8  0.0  3.2
assign (resid   9  and name  HN )(resid   23  and name  HG##  )  1.8  0.0  3.2
assign (resid   9  and name  HN )(resid   41  and name  HD##  )  1.8  0.0  3.2
assign (resid   10  and name  HA )(resid   11  and name  HN  )  1.8  0.0  1.1
assign (resid   10  and name  HA )(resid   23  and name  HG##  )  1.8  0.0  3.2
assign (resid   10  and name  HB )(resid   11  and name  HN  )  1.8  0.0  3.2
assign (resid   10  and name  HB )(resid   23  and name  HG##  )  1.8  0.0  3.2
assign (resid   10  and name  HB )(resid   41  and name  HB#  )  1.8  0.0  3.2
assign (resid   10  and name  HB )(resid   41  and name  HD1#  )  1.8  0.0  3.2
assign (resid   10  and name  HB )(resid   41  and name  HD2#  )  1.8  0.0  3.2
assign (resid   10  and name  HG1# )(resid   23  and name  HG##  )  1.8  0.0  3.2
assign (resid   10  and name  HG1# )(resid   41  and name  HB#  )  1.8  0.0  3.2
assign (resid   10  and name  HG2# )(resid   23  and name  HG##  )  1.8  0.0  3.2
assign (resid   10  and name  HG2# )(resid   41  and name  HB#  )  1.8  0.0  3.2
assign (resid   10  and name  HG## )(resid   11  and name  HN  )  1.8  0.0  3.2
assign (resid   10  and name  HG## )(resid   21  and name  HA  )  1.8  0.0  3.2
assign (resid   10  and name  HG## )(resid   21  and name  HG##  )  1.8  0.0  3.2
assign (resid   10  and name  HG## )(resid   21  and name  HN  )  1.8  0.0  3.2
assign (resid   10  and name  HG## )(resid   23  and name  HB  )  1.8  0.0  3.2
assign (resid   10  and name  HG## )(resid   23  and name  HN  )  1.8  0.0  3.2
assign (resid   10  and name  HG## )(resid   41  and name  HA  )  1.8  0.0  3.2
assign (resid   10  and name  HG## )(resid   41  and name  HB#  )  1.8  0.0  3.2
assign (resid   10  and name  HG## )(resid   42  and name  HA  )  1.8  0.0  3.2
assign (resid   10  and name  HG## )(resid   44  and name  HB#  )  1.8  0.0  3.2
assign (resid   10  and name  HG## )(resid   45  and name  HA  )  1.8  0.0  3.2
assign (resid   10  and name  HN )(resid   20  and name  HB  )  1.8  0.0  3.2
assign (resid   10  and name  HN )(resid   21  and name  HG##  )  1.8  0.0  3.2
assign (resid   10  and name  HN )(resid   21  and name  HN  )  1.8  0.0  2.2
assign (resid   10  and name  HN )(resid   22  and name  HA  )  1.8  0.0  2.2
assign (resid   10  and name  HN )(resid   23  and name  HG1#  )  1.8  0.0  3.2
assign (resid   10  and name  HN )(resid   23  and name  HG2#  )  1.8  0.0  3.2
assign (resid   11  and name  HA )(resid   12  and name  HN  )  1.8  0.0  1.1
assign (resid   11  and name  HA )(resid   20  and name  HA  )  1.8  0.0  1.2
assign (resid   11  and name  HA )(resid   20  and name  HG##  )  1.8  0.0  3.2
assign (resid   11  and name  HA )(resid   21  and name  HN  )  1.8  0.0  2.2
assign (resid   11  and name  HB# )(resid   45  and name  HA  )  1.8  0.0  3.2
assign (resid   11  and name  HB# )(resid   45  and name  HB#  )  1.8  0.0  3.2
assign (resid   11  and name  HB# )(resid   45  and name  HD#  )  1.8  0.0  3.2
assign (resid   11  and name  HD1 )(resid   20  and name  HG##  )  1.8  0.0  3.2
assign (resid   11  and name  HD1 )(resid   45  and name  HE#  )  1.8  0.0  3.2
assign (resid   11  and name  HD2 )(resid   20  and name  HG##  )  1.8  0.0  3.2
assign (resid   11  and name  HD2 )(resid   45  and name  HE#  )  1.8  0.0  3.2
assign (resid   11  and name  HG# )(resid   12  and name  HN  )  1.8  0.0  3.2
assign (resid   11  and name  HG# )(resid   20  and name  HG##  )  1.8  0.0  3.2
assign (resid   11  and name  HN )(resid   12  and name  HN  )  1.8  0.0  3.2
assign (resid   11  and name  HN )(resid   20  and name  HG##  )  1.8  0.0  3.2
assign (resid   12  and name  HA )(resid   13  and name  HN  )  1.8  0.0  1.1
assign (resid   12  and name  HA )(resid   46  and name  HG##  )  1.8  0.0  3.2
assign (resid   12  and name  HA )(resid   46  and name  HN  )  1.8  0.0  2.2
assign (resid   12  and name  HB )(resid   20  and name  HA  )  1.8  0.0  3.2
assign (resid   12  and name  HB )(resid   20  and name  HN  )  1.8  0.0  3.2
assign (resid   12  and name  HB )(resid   21  and name  HG##  )  1.8  0.0  3.2
assign (resid   12  and name  HG1# )(resid   13  and name  HN  )  1.8  0.0  3.2
assign (resid   12  and name  HG1# )(resid   19  and name  HA  )  1.8  0.0  3.2
assign (resid   12  and name  HG1# )(resid   20  and name  HA  )  1.8  0.0  3.2
assign (resid   12  and name  HG1# )(resid   21  and name  HB  )  1.8  0.0  3.2
assign (resid   12  and name  HG1# )(resid   21  and name  HN  )  1.8  0.0  3.2
assign (resid   12  and name  HG1# )(resid   47  and name  HA#  )  1.8  0.0  3.2
assign (resid   12  and name  HG1# )(resid   73  and name  HG  )  1.8  0.0  3.2
assign (resid   12  and name  HG2# )(resid   13  and name  HN  )  1.8  0.0  3.2
assign (resid   12  and name  HG2# )(resid   19  and name  HA  )  1.8  0.0  3.2
assign (resid   12  and name  HG2# )(resid   20  and name  HA  )  1.8  0.0  3.2
assign (resid   12  and name  HG2# )(resid   20  and name  HN  )  1.8  0.0  3.2
assign (resid   12  and name  HG2# )(resid   21  and name  HN  )  1.8  0.0  3.2
assign (resid   12  and name  HG2# )(resid   47  and name  HA#  )  1.8  0.0  3.2
assign (resid   12  and name  HG2# )(resid   73  and name  HG  )  1.8  0.0  3.2
assign (resid   12  and name  HG## )(resid   19  and name  HB#  )  1.8  0.0  3.2
assign (resid   12  and name  HG## )(resid   19  and name  HN  )  1.8  0.0  3.2
assign (resid   12  and name  HG## )(resid   20  and name  HN  )  1.8  0.0  3.2
assign (resid   12  and name  HG## )(resid   21  and name  HA  )  1.8  0.0  3.2
assign (resid   12  and name  HG## )(resid   21  and name  HB  )  1.8  0.0  3.2
assign (resid   12  and name  HG## )(resid   46  and name  HN  )  1.8  0.0  3.2
assign (resid   12  and name  HG## )(resid   47  and name  HN  )  1.8  0.0  3.2
assign (resid   12  and name  HG## )(resid   48  and name  HN  )  1.8  0.0  3.2
assign (resid   12  and name  HG## )(resid   73  and name  HB#  )  1.8  0.0  3.2
assign (resid   12  and name  HG## )(resid   73  and name  HD1#  )  1.8  0.0  3.2
assign (resid   12  and name  HG## )(resid   73  and name  HD2#  )  1.8  0.0  3.2
assign (resid   12  and name  HN )(resid   13  and name  HN  )  1.8  0.0  3.2
assign (resid   12  and name  HN )(resid   20  and name  HA  )  1.8  0.0  2.2
assign (resid   12  and name  HN )(resid   20  and name  HG##  )  1.8  0.0  3.2
assign (resid   13  and name  HB# )(resid   45  and name  HB#  )  1.8  0.0  3.2
assign (resid   13  and name  HB# )(resid   45  and name  HD#  )  1.8  0.0  3.2
assign (resid   13  and name  HB# )(resid   46  and name  HN  )  1.8  0.0  3.2
assign (resid   13  and name  HD1 )(resid   45  and name  HD#  )  1.8  0.0  3.2
assign (resid   13  and name  HD2 )(resid   45  and name  HD#  )  1.8  0.0  3.2
assign (resid   13  and name  HG# )(resid   14  and name  HN  )  1.8  0.0  3.2
assign (resid   13  and name  HG# )(resid   45  and name  HB#  )  1.8  0.0  3.2
assign (resid   13  and name  HN )(resid   45  and name  HB#  )  1.8  0.0  3.2
assign (resid   13  and name  HN )(resid   46  and name  HN  )  1.8  0.0  2.2
assign (resid   13  and name  HN )(resid   47  and name  HA1  )  1.8  0.0  3.2
assign (resid   13  and name  HN )(resid   47  and name  HA2  )  1.8  0.0  3.2
assign (resid   13  and name  HN )(resid   48  and name  HN  )  1.8  0.0  3.2
assign (resid   14  and name  HN )(resid   15  and name  HN  )  1.8  0.0  3.2
assign (resid   14  and name  HN )(resid   16  and name  HD#  )  1.8  0.0  3.2
assign (resid   16  and name  HB# )(resid   49  and name  HA  )  1.8  0.0  3.2
assign (resid   16  and name  HB# )(resid   49  and name  HD1  )  1.8  0.0  3.2
assign (resid   16  and name  HB# )(resid   49  and name  HD2  )  1.8  0.0  3.2
assign (resid   16  and name  HB# )(resid   75  and name  HA  )  1.8  0.0  3.2
assign (resid   16  and name  HD# )(resid   18  and name  HA  )  1.8  0.0  3.2
assign (resid   16  and name  HE# )(resid   18  and name  HA  )  1.8  0.0  3.2
assign (resid   16  and name  HG# )(resid   17  and name  HN  )  1.8  0.0  3.2
assign (resid   16  and name  HG# )(resid   49  and name  HD1  )  1.8  0.0  3.2
assign (resid   16  and name  HG# )(resid   49  and name  HD2  )  1.8  0.0  3.2
assign (resid   16  and name  HG# )(resid   73  and name  HD1#  )  1.8  0.0  3.2
assign (resid   16  and name  HG# )(resid   73  and name  HD2#  )  1.8  0.0  3.2
assign (resid   16  and name  HN )(resid   17  and name  HN  )  1.8  0.0  3.2
assign (resid   17  and name  HG# )(resid   18  and name  HN  )  1.8  0.0  3.2
assign (resid   17  and name  HN )(resid   18  and name  HN  )  1.8  0.0  3.2
assign (resid   18  and name  HE# )(resid   71  and name  HE#  )  1.8  0.0  3.2
assign (resid   18  and name  HE# )(resid   74  and name  HD#  )  1.8  0.0  3.2
assign (resid   19  and name  HA )(resid   20  and name  HN  )  1.8  0.0  1.7
assign (resid   19  and name  HN )(resid   20  and name  HN  )  1.8  0.0  3.2
assign (resid   20  and name  HA )(resid   21  and name  HN  )  1.8  0.0  1.1
assign (resid   20  and name  HB )(resid   21  and name  HN  )  1.8  0.0  3.2
assign (resid   20  and name  HG## )(resid   21  and name  HN  )  1.8  0.0  3.2
assign (resid   20  and name  HN )(resid   21  and name  HN  )  1.8  0.0  3.2
assign (resid   21  and name  HA )(resid   22  and name  HD1  )  1.8  0.0  2.2
assign (resid   21  and name  HA )(resid   22  and name  HD2  )  1.8  0.0  2.2
assign (resid   21  and name  HA )(resid   73  and name  HD##  )  1.8  0.0  3.2
assign (resid   21  and name  HB )(resid   73  and name  HD1#  )  1.8  0.0  3.2
assign (resid   21  and name  HB )(resid   73  and name  HD2#  )  1.8  0.0  3.2
assign (resid   21  and name  HB )(resid   73  and name  HG  )  1.8  0.0  3.2
assign (resid   21  and name  HG1# )(resid   23  and name  HG##  )  1.8  0.0  3.2
assign (resid   21  and name  HG1# )(resid   73  and name  HD1#  )  1.8  0.0  3.2
assign (resid   21  and name  HG1# )(resid   73  and name  HD2#  )  1.8  0.0  3.2
assign (resid   21  and name  HG2# )(resid   23  and name  HG##  )  1.8  0.0  3.2
assign (resid   21  and name  HG## )(resid   69  and name  HB#  )  1.8  0.0  3.2
assign (resid   21  and name  HG## )(resid   70  and name  HN  )  1.8  0.0  3.2
assign (resid   21  and name  HG## )(resid   71  and name  HB#  )  1.8  0.0  3.2
assign (resid   21  and name  HG## )(resid   71  and name  HG#  )  1.8  0.0  3.2
assign (resid   21  and name  HG## )(resid   71  and name  HN  )  1.8  0.0  3.2
assign (resid   21  and name  HG## )(resid   73  and name  HD1#  )  1.8  0.0  3.2
assign (resid   21  and name  HG## )(resid   73  and name  HD2#  )  1.8  0.0  3.2
assign (resid   21  and name  HG## )(resid   73  and name  HG  )  1.8  0.0  3.2
assign (resid   22  and name  HA )(resid   23  and name  HN  )  1.8  0.0  1.1
assign (resid   22  and name  HB# )(resid   70  and name  HG2#  )  1.8  0.0  3.2
assign (resid   22  and name  HD1 )(resid   71  and name  HB#  )  1.8  0.0  3.2
assign (resid   22  and name  HD1 )(resid   71  and name  HD#  )  1.8  0.0  3.2
assign (resid   22  and name  HD2 )(resid   71  and name  HB#  )  1.8  0.0  3.2
assign (resid   22  and name  HD2 )(resid   71  and name  HD#  )  1.8  0.0  3.2
assign (resid   22  and name  HD# )(resid   70  and name  HN  )  1.8  0.0  3.2
assign (resid   22  and name  HD# )(resid   71  and name  HG1  )  1.8  0.0  3.2
assign (resid   22  and name  HD# )(resid   71  and name  HG2  )  1.8  0.0  3.2
assign (resid   22  and name  HG1 )(resid   70  and name  HG2#  )  1.8  0.0  3.2
assign (resid   22  and name  HG1 )(resid   71  and name  HB#  )  1.8  0.0  3.2
assign (resid   22  and name  HG2 )(resid   70  and name  HG2#  )  1.8  0.0  3.2
assign (resid   22  and name  HG2 )(resid   71  and name  HB#  )  1.8  0.0  3.2
assign (resid   22  and name  HG# )(resid   23  and name  HN  )  1.8  0.0  3.2
assign (resid   22  and name  HG# )(resid   71  and name  HN  )  1.8  0.0  3.2
assign (resid   23  and name  HA )(resid   24  and name  HN  )  1.8  0.0  1.1
assign (resid   23  and name  HA )(resid   56  and name  HG##  )  1.8  0.0  3.2
assign (resid   23  and name  HA )(resid   67  and name  HG2#  )  1.8  0.0  3.2
assign (resid   23  and name  HA )(resid   69  and name  HA  )  1.8  0.0  1.2
assign (resid   23  and name  HA )(resid   70  and name  HG2#  )  1.8  0.0  3.2
assign (resid   23  and name  HA )(resid   70  and name  HN  )  1.8  0.0  2.2
assign (resid   23  and name  HB )(resid   24  and name  HN  )  1.8  0.0  3.2
assign (resid   23  and name  HB )(resid   41  and name  HD##  )  1.8  0.0  3.2
assign (resid   23  and name  HB )(resid   67  and name  HG2#  )  1.8  0.0  3.2
assign (resid   23  and name  HB )(resid   69  and name  HA  )  1.8  0.0  3.2
assign (resid   23  and name  HG1# )(resid   24  and name  HN  )  1.8  0.0  3.2
assign (resid   23  and name  HG1# )(resid   69  and name  HA  )  1.8  0.0  3.2
assign (resid   23  and name  HG2# )(resid   69  and name  HA  )  1.8  0.0  3.2
assign (resid   23  and name  HG2# )(resid   69  and name  HB#  )  1.8  0.0  3.2
assign (resid   23  and name  HG## )(resid   24  and name  HN  )  1.8  0.0  3.2
assign (resid   23  and name  HG## )(resid   41  and name  HB#  )  1.8  0.0  3.2
assign (resid   23  and name  HG## )(resid   41  and name  HD1#  )  1.8  0.0  3.2
assign (resid   23  and name  HG## )(resid   41  and name  HD2#  )  1.8  0.0  3.2
assign (resid   23  and name  HG## )(resid   56  and name  HG##  )  1.8  0.0  3.2
assign (resid   23  and name  HG## )(resid   67  and name  HD1#  )  1.8  0.0  3.2
assign (resid   23  and name  HG## )(resid   67  and name  HG2#  )  1.8  0.0  3.2
assign (resid   23  and name  HG## )(resid   69  and name  HB#  )  1.8  0.0  3.2
assign (resid   23  and name  HN )(resid   70  and name  HG2#  )  1.8  0.0  3.2
assign (resid   24  and name  HA )(resid   25  and name  HN  )  1.8  0.0  1.1
assign (resid   24  and name  HD# )(resid   70  and name  HA  )  1.8  0.0  3.2
assign (resid   24  and name  HD# )(resid   70  and name  HB  )  1.8  0.0  3.2
assign (resid   24  and name  HE# )(resid   68  and name  HD1#  )  1.8  0.0  3.2
assign (resid   24  and name  HE# )(resid   70  and name  HG2#  )  1.8  0.0  3.2
assign (resid   24  and name  HG# )(resid   25  and name  HN  )  1.8  0.0  3.2
assign (resid   24  and name  HG# )(resid   69  and name  HA  )  1.8  0.0  3.2
assign (resid   24  and name  HN )(resid   67  and name  HD1#  )  1.8  0.0  3.2
assign (resid   24  and name  HN )(resid   67  and name  HG2#  )  1.8  0.0  3.2
assign (resid   24  and name  HN )(resid   68  and name  HG1#  )  1.8  0.0  3.2
assign (resid   24  and name  HN )(resid   68  and name  HN  )  1.8  0.0  2.2
assign (resid   24  and name  HN )(resid   69  and name  HA  )  1.8  0.0  2.2
assign (resid   24  and name  HN )(resid   70  and name  HG2#  )  1.8  0.0  3.2
assign (resid   25  and name  HA )(resid   29  and name  HG##  )  1.8  0.0  3.2
assign (resid   25  and name  HA )(resid   65  and name  HG1#  )  1.8  0.0  3.2
assign (resid   25  and name  HA )(resid   65  and name  HG2#  )  1.8  0.0  3.2
assign (resid   25  and name  HA )(resid   67  and name  HA  )  1.8  0.0  1.2
assign (resid   25  and name  HA )(resid   67  and name  HD1#  )  1.8  0.0  3.2
assign (resid   25  and name  HA )(resid   67  and name  HG2#  )  1.8  0.0  3.2
assign (resid   25  and name  HA )(resid   68  and name  HN  )  1.8  0.0  2.2
assign (resid   25  and name  HB# )(resid   29  and name  HG1#  )  1.8  0.0  3.2
assign (resid   25  and name  HB# )(resid   29  and name  HG2#  )  1.8  0.0  3.2
assign (resid   25  and name  HB# )(resid   65  and name  HG1#  )  1.8  0.0  3.2
assign (resid   25  and name  HB# )(resid   65  and name  HG2#  )  1.8  0.0  3.2
assign (resid   25  and name  HB# )(resid   67  and name  HD1#  )  1.8  0.0  3.2
assign (resid   25  and name  HN )(resid   67  and name  HD1#  )  1.8  0.0  3.2
assign (resid   26  and name  HA )(resid   68  and name  HD1#  )  1.8  0.0  3.2
assign (resid   26  and name  HB# )(resid   68  and name  HD1#  )  1.8  0.0  3.2
assign (resid   26  and name  HB# )(resid   68  and name  HG2#  )  1.8  0.0  3.2
assign (resid   26  and name  HD21 )(resid   65  and name  HA  )  1.8  0.0  3.2
assign (resid   26  and name  HD21 )(resid   66  and name  HN  )  1.8  0.0  3.2
assign (resid   26  and name  HD22 )(resid   65  and name  HA  )  1.8  0.0  3.2
assign (resid   26  and name  HD22 )(resid   66  and name  HN  )  1.8  0.0  3.2
assign (resid   26  and name  HD2# )(resid   66  and name  HB#  )  1.8  0.0  3.2
assign (resid   26  and name  HN )(resid   27  and name  HN  )  1.8  0.0  1.7
assign (resid   26  and name  HN )(resid   65  and name  HG1#  )  1.8  0.0  3.2
assign (resid   26  and name  HN )(resid   65  and name  HG2#  )  1.8  0.0  3.2
assign (resid   26  and name  HN )(resid   67  and name  HA  )  1.8  0.0  2.2
assign (resid   26  and name  HN )(resid   67  and name  HD1#  )  1.8  0.0  3.2
assign (resid   26  and name  HN )(resid   68  and name  HD1#  )  1.8  0.0  3.2
assign (resid   27  and name  HA )(resid   28  and name  HD1  )  1.8  0.0  2.2
assign (resid   27  and name  HA )(resid   28  and name  HD2  )  1.8  0.0  2.2
assign (resid   27  and name  HB# )(resid   29  and name  HG##  )  1.8  0.0  3.2
assign (resid   27  and name  HB# )(resid   65  and name  HG1#  )  1.8  0.0  3.2
assign (resid   27  and name  HB# )(resid   65  and name  HG2#  )  1.8  0.0  3.2
assign (resid   27  and name  HE# )(resid   65  and name  HA  )  1.8  0.0  3.2
assign (resid   27  and name  HE# )(resid   65  and name  HG1#  )  1.8  0.0  3.2
assign (resid   27  and name  HE# )(resid   65  and name  HG##  )  1.8  0.0  3.2
assign (resid   27  and name  HE# )(resid   66  and name  HN  )  1.8  0.0  3.2
assign (resid   27  and name  HN )(resid   29  and name  HG##  )  1.8  0.0  3.2
assign (resid   27  and name  HN )(resid   65  and name  HG##  )  1.8  0.0  3.2
assign (resid   27  and name  HN )(resid   65  and name  HG2#  )  1.8  0.0  3.2
assign (resid   27  and name  HN )(resid   67  and name  HD1#  )  1.8  0.0  3.2
assign (resid   29  and name  HB )(resid   65  and name  HG##  )  1.8  0.0  3.2
assign (resid   29  and name  HG1# )(resid   30  and name  HN  )  1.8  0.0  3.2
assign (resid   29  and name  HG1# )(resid   33  and name  HB#  )  1.8  0.0  3.2
assign (resid   29  and name  HG1# )(resid   37  and name  HD#  )  1.8  0.0  3.2
assign (resid   29  and name  HG1# )(resid   37  and name  HE#  )  1.8  0.0  3.2
assign (resid   29  and name  HG1# )(resid   37  and name  HZ  )  1.8  0.0  3.2
assign (resid   29  and name  HG2# )(resid   30  and name  HN  )  1.8  0.0  3.2
assign (resid   29  and name  HG2# )(resid   33  and name  HB#  )  1.8  0.0  3.2
assign (resid   29  and name  HG2# )(resid   37  and name  HD#  )  1.8  0.0  3.2
assign (resid   29  and name  HG2# )(resid   37  and name  HE#  )  1.8  0.0  3.2
assign (resid   29  and name  HG2# )(resid   37  and name  HZ  )  1.8  0.0  3.2
assign (resid   29  and name  HG## )(resid   33  and name  HE#  )  1.8  0.0  3.2
assign (resid   29  and name  HG## )(resid   60  and name  HG2#  )  1.8  0.0  3.2
assign (resid   29  and name  HG## )(resid   67  and name  HD1#  )  1.8  0.0  3.2
assign (resid   29  and name  HN )(resid   30  and name  HN  )  1.8  0.0  3.2
assign (resid   30  and name  HB# )(resid   33  and name  HG#  )  1.8  0.0  3.2
assign (resid   30  and name  HG# )(resid   31  and name  HN  )  1.8  0.0  3.2
assign (resid   31  and name  HA )(resid   33  and name  HN  )  1.8  0.0  3.2
assign (resid   31  and name  HD1# )(resid   32  and name  HN  )  1.8  0.0  3.2
assign (resid   31  and name  HG1# )(resid   32  and name  HN  )  1.8  0.0  3.2
assign (resid   31  and name  HG2# )(resid   32  and name  HN  )  1.8  0.0  3.2
assign (resid   32  and name  HN )(resid   33  and name  HN  )  1.8  0.0  1.7
assign (resid   33  and name  HA )(resid   36  and name  HB#  )  1.8  0.0  3.2
assign (resid   33  and name  HA )(resid   36  and name  HN  )  1.8  0.0  2.2
assign (resid   33  and name  HA )(resid   37  and name  HN  )  1.8  0.0  3.2
assign (resid   33  and name  HB# )(resid   34  and name  HN  )  1.8  0.0  2.2
assign (resid   33  and name  HB# )(resid   36  and name  HB#  )  1.8  0.0  3.2
assign (resid   33  and name  HD# )(resid   37  and name  HE#  )  1.8  0.0  3.2
assign (resid   33  and name  HE# )(resid   63  and name  HG2#  )  1.8  0.0  3.2
assign (resid   33  and name  HG# )(resid   34  and name  HN  )  1.8  0.0  3.2
assign (resid   33  and name  HN )(resid   34  and name  HN  )  1.8  0.0  1.7
assign (resid   33  and name  HN )(resid   35  and name  HN  )  1.8  0.0  3.2
assign (resid   34  and name  HA )(resid   36  and name  HN  )  1.8  0.0  3.2
assign (resid   34  and name  HA )(resid   37  and name  HB#  )  1.8  0.0  3.2
assign (resid   34  and name  HA )(resid   37  and name  HD#  )  1.8  0.0  3.2
assign (resid   34  and name  HA )(resid   37  and name  HN  )  1.8  0.0  2.2
assign (resid   34  and name  HA )(resid   38  and name  HN  )  1.8  0.0  3.2
assign (resid   34  and name  HB# )(resid   35  and name  HN  )  1.8  0.0  2.2
assign (resid   34  and name  HN )(resid   35  and name  HN  )  1.8  0.0  3.2
assign (resid   35  and name  HA )(resid   38  and name  HB#  )  1.8  0.0  3.2
assign (resid   35  and name  HA )(resid   38  and name  HN  )  1.8  0.0  2.2
assign (resid   35  and name  HA )(resid   39  and name  HN  )  1.8  0.0  3.2
assign (resid   35  and name  HB )(resid   36  and name  HN  )  1.8  0.0  2.2
assign (resid   35  and name  HD1# )(resid   36  and name  HN  )  1.8  0.0  3.2
assign (resid   35  and name  HG1# )(resid   36  and name  HN  )  1.8  0.0  3.2
assign (resid   35  and name  HG2# )(resid   36  and name  HN  )  1.8  0.0  3.2
assign (resid   35  and name  HG2# )(resid   39  and name  HD2#  )  1.8  0.0  3.2
assign (resid   35  and name  HN )(resid   36  and name  HN  )  1.8  0.0  3.2
assign (resid   35  and name  HN )(resid   37  and name  HN  )  1.8  0.0  3.2
assign (resid   36  and name  HA )(resid   38  and name  HN  )  1.8  0.0  3.2
assign (resid   36  and name  HA )(resid   39  and name  HB#  )  1.8  0.0  3.2
assign (resid   36  and name  HA )(resid   39  and name  HD21  )  1.8  0.0  3.2
assign (resid   36  and name  HA )(resid   39  and name  HD22  )  1.8  0.0  3.2
assign (resid   36  and name  HA )(resid   39  and name  HN  )  1.8  0.0  2.2
assign (resid   36  and name  HA )(resid   40  and name  HN  )  1.8  0.0  3.2
assign (resid   36  and name  HB# )(resid   37  and name  HN  )  1.8  0.0  2.2
assign (resid   36  and name  HN )(resid   37  and name  HN  )  1.8  0.0  3.2
assign (resid   36  and name  HN )(resid   38  and name  HN  )  1.8  0.0  3.2
assign (resid   37  and name  HA )(resid   40  and name  HB  )  1.8  0.0  3.2
assign (resid   37  and name  HA )(resid   40  and name  HG1#  )  1.8  0.0  3.2
assign (resid   37  and name  HA )(resid   40  and name  HG2#  )  1.8  0.0  3.2
assign (resid   37  and name  HA )(resid   40  and name  HN  )  1.8  0.0  2.2
assign (resid   37  and name  HA )(resid   41  and name  HN  )  1.8  0.0  3.2
assign (resid   37  and name  HA )(resid   60  and name  HD1#  )  1.8  0.0  3.2
assign (resid   37  and name  HB# )(resid   38  and name  HN  )  1.8  0.0  2.2
assign (resid   37  and name  HB# )(resid   41  and name  HD##  )  1.8  0.0  3.2
assign (resid   37  and name  HB# )(resid   60  and name  HD1#  )  1.8  0.0  3.2
assign (resid   37  and name  HD# )(resid   40  and name  HG##  )  1.8  0.0  3.2
assign (resid   37  and name  HD# )(resid   60  and name  HD1#  )  1.8  0.0  3.2
assign (resid   37  and name  HD# )(resid   60  and name  HG2#  )  1.8  0.0  3.2
assign (resid   37  and name  HD# )(resid   61  and name  HE#  )  1.8  0.0  3.2
assign (resid   37  and name  HD# )(resid   67  and name  HD1#  )  1.8  0.0  3.2
assign (resid   37  and name  HE# )(resid   60  and name  HD1#  )  1.8  0.0  3.2
assign (resid   37  and name  HE# )(resid   60  and name  HG2#  )  1.8  0.0  3.2
assign (resid   37  and name  HE# )(resid   61  and name  HB#  )  1.8  0.0  3.2
assign (resid   37  and name  HE# )(resid   61  and name  HE#  )  1.8  0.0  3.2
assign (resid   37  and name  HE# )(resid   63  and name  HG2#  )  1.8  0.0  3.2
assign (resid   37  and name  HE# )(resid   65  and name  HG1#  )  1.8  0.0  3.2
assign (resid   37  and name  HE# )(resid   65  and name  HG2#  )  1.8  0.0  3.2
assign (resid   37  and name  HE# )(resid   67  and name  HD1#  )  1.8  0.0  3.2
assign (resid   37  and name  HN )(resid   38  and name  HN  )  1.8  0.0  1.7
assign (resid   37  and name  HN )(resid   39  and name  HN  )  1.8  0.0  3.2
assign (resid   37  and name  HZ )(resid   60  and name  HG2#  )  1.8  0.0  3.2
assign (resid   37  and name  HZ )(resid   63  and name  HG2#  )  1.8  0.0  3.2
assign (resid   37  and name  HZ )(resid   65  and name  HG1#  )  1.8  0.0  3.2
assign (resid   37  and name  HZ )(resid   65  and name  HG2#  )  1.8  0.0  3.2
assign (resid   38  and name  HA )(resid   41  and name  HB#  )  1.8  0.0  3.2
assign (resid   38  and name  HA )(resid   41  and name  HD##  )  1.8  0.0  3.2
assign (resid   38  and name  HA )(resid   41  and name  HN  )  1.8  0.0  2.2
assign (resid   38  and name  HB# )(resid   39  and name  HN  )  1.8  0.0  2.2
assign (resid   38  and name  HB# )(resid   41  and name  HD##  )  1.8  0.0  3.2
assign (resid   38  and name  HN )(resid   39  and name  HN  )  1.8  0.0  1.7
assign (resid   39  and name  HA )(resid   42  and name  HB#  )  1.8  0.0  3.2
assign (resid   39  and name  HA )(resid   42  and name  HN  )  1.8  0.0  2.2
assign (resid   39  and name  HB# )(resid   40  and name  HN  )  1.8  0.0  2.2
assign (resid   39  and name  HN )(resid   40  and name  HN  )  1.8  0.0  3.2
assign (resid   40  and name  HA )(resid   43  and name  HB#  )  1.8  0.0  3.2
assign (resid   40  and name  HA )(resid   43  and name  HN  )  1.8  0.0  2.2
assign (resid   40  and name  HB )(resid   41  and name  HN  )  1.8  0.0  2.2
assign (resid   40  and name  HB )(resid   60  and name  HD1#  )  1.8  0.0  3.2
assign (resid   40  and name  HG1# )(resid   41  and name  HN  )  1.8  0.0  3.2
assign (resid   40  and name  HG1# )(resid   60  and name  HD1#  )  1.8  0.0  3.2
assign (resid   40  and name  HG1# )(resid   61  and name  HG1  )  1.8  0.0  3.2
assign (resid   40  and name  HG1# )(resid   61  and name  HG2  )  1.8  0.0  3.2
assign (resid   40  and name  HG2# )(resid   41  and name  HN  )  1.8  0.0  3.2
assign (resid   40  and name  HG2# )(resid   60  and name  HD1#  )  1.8  0.0  3.2
assign (resid   40  and name  HG2# )(resid   61  and name  HG1  )  1.8  0.0  3.2
assign (resid   40  and name  HG2# )(resid   61  and name  HG2  )  1.8  0.0  3.2
assign (resid   40  and name  HG## )(resid   43  and name  HG#  )  1.8  0.0  3.2
assign (resid   40  and name  HG## )(resid   44  and name  HB#  )  1.8  0.0  3.2
assign (resid   40  and name  HG## )(resid   60  and name  HA  )  1.8  0.0  3.2
assign (resid   40  and name  HG## )(resid   60  and name  HG1#  )  1.8  0.0  3.2
assign (resid   40  and name  HG## )(resid   61  and name  HE#  )  1.8  0.0  3.2
assign (resid   40  and name  HN )(resid   41  and name  HN  )  1.8  0.0  1.7
assign (resid   40  and name  HN )(resid   60  and name  HD1#  )  1.8  0.0  3.2
assign (resid   41  and name  HA )(resid   43  and name  HN  )  1.8  0.0  3.2
assign (resid   41  and name  HA )(resid   44  and name  HB#  )  1.8  0.0  3.2
assign (resid   41  and name  HA )(resid   44  and name  HD1#  )  1.8  0.0  3.2
assign (resid   41  and name  HA )(resid   44  and name  HD2#  )  1.8  0.0  3.2
assign (resid   41  and name  HA )(resid   44  and name  HG  )  1.8  0.0  3.2
assign (resid   41  and name  HA )(resid   44  and name  HN  )  1.8  0.0  2.2
assign (resid   41  and name  HA )(resid   60  and name  HD1#  )  1.8  0.0  3.2
assign (resid   41  and name  HB# )(resid   42  and name  HN  )  1.8  0.0  2.2
assign (resid   41  and name  HD1# )(resid   42  and name  HN  )  1.8  0.0  3.2
assign (resid   41  and name  HD1# )(resid   60  and name  HD1#  )  1.8  0.0  3.2
assign (resid   41  and name  HD2# )(resid   42  and name  HN  )  1.8  0.0  3.2
assign (resid   41  and name  HD2# )(resid   60  and name  HD1#  )  1.8  0.0  3.2
assign (resid   41  and name  HD## )(resid   57  and name  HB#  )  1.8  0.0  3.2
assign (resid   41  and name  HD## )(resid   60  and name  HG2#  )  1.8  0.0  3.2
assign (resid   41  and name  HD## )(resid   67  and name  HD1#  )  1.8  0.0  3.2
assign (resid   41  and name  HG )(resid   42  and name  HN  )  1.8  0.0  3.2
assign (resid   41  and name  HG )(resid   60  and name  HD1#  )  1.8  0.0  3.2
assign (resid   41  and name  HN )(resid   42  and name  HN  )  1.8  0.0  1.7
assign (resid   41  and name  HN )(resid   60  and name  HD1#  )  1.8  0.0  3.2
assign (resid   42  and name  HA )(resid   44  and name  HN  )  1.8  0.0  3.2
assign (resid   42  and name  HB# )(resid   43  and name  HN  )  1.8  0.0  2.2
assign (resid   42  and name  HN )(resid   43  and name  HN  )  1.8  0.0  1.7
assign (resid   42  and name  HN )(resid   44  and name  HN  )  1.8  0.0  3.2
assign (resid   43  and name  HB# )(resid   44  and name  HN  )  1.8  0.0  2.2
assign (resid   43  and name  HG# )(resid   44  and name  HN  )  1.8  0.0  3.2
assign (resid   43  and name  HN )(resid   44  and name  HN  )  1.8  0.0  1.7
assign (resid   44  and name  HA )(resid   45  and name  HN  )  1.8  0.0  1.7
assign (resid   44  and name  HD1# )(resid   45  and name  HN  )  1.8  0.0  3.2
assign (resid   44  and name  HD1# )(resid   57  and name  HB#  )  1.8  0.0  3.2
assign (resid   44  and name  HD2# )(resid   57  and name  HB#  )  1.8  0.0  3.2
assign (resid   44  and name  HD## )(resid   45  and name  HN  )  1.8  0.0  3.2
assign (resid   44  and name  HD## )(resid   56  and name  HB  )  1.8  0.0  3.2
assign (resid   44  and name  HD## )(resid   57  and name  HA  )  1.8  0.0  3.2
assign (resid   44  and name  HG )(resid   45  and name  HN  )  1.8  0.0  3.2
assign (resid   44  and name  HG )(resid   46  and name  HG##  )  1.8  0.0  3.2
assign (resid   45  and name  HA )(resid   46  and name  HN  )  1.8  0.0  1.7
assign (resid   45  and name  HD# )(resid   46  and name  HN  )  1.8  0.0  3.2
assign (resid   45  and name  HN )(resid   46  and name  HN  )  1.8  0.0  3.2
assign (resid   46  and name  HA )(resid   47  and name  HN  )  1.8  0.0  1.7
assign (resid   46  and name  HB )(resid   56  and name  HG##  )  1.8  0.0  3.2
assign (resid   46  and name  HG## )(resid   47  and name  HN  )  1.8  0.0  3.2
assign (resid   46  and name  HG## )(resid   56  and name  HA  )  1.8  0.0  3.2
assign (resid   46  and name  HN )(resid   47  and name  HN  )  1.8  0.0  3.2
assign (resid   47  and name  HA1 )(resid   48  and name  HN  )  1.8  0.0  1.7
assign (resid   47  and name  HA2 )(resid   48  and name  HN  )  1.8  0.0  1.7
assign (resid   47  and name  HN )(resid   48  and name  HN  )  1.8  0.0  3.2
assign (resid   48  and name  HA )(resid   49  and name  HA  )  1.8  0.0  3.2
assign (resid   48  and name  HA )(resid   50  and name  HG2#  )  1.8  0.0  3.2
assign (resid   48  and name  HB )(resid   50  and name  HG2#  )  1.8  0.0  3.2
assign (resid   48  and name  HG## )(resid   50  and name  HA  )  1.8  0.0  3.2
assign (resid   49  and name  HA )(resid   50  and name  HN  )  1.8  0.0  1.7
assign (resid   49  and name  HA )(resid   73  and name  HD1#  )  1.8  0.0  3.2
assign (resid   49  and name  HA )(resid   73  and name  HD2#  )  1.8  0.0  3.2
assign (resid   49  and name  HB# )(resid   74  and name  HA  )  1.8  0.0  3.2
assign (resid   49  and name  HB# )(resid   75  and name  HN  )  1.8  0.0  3.2
assign (resid   49  and name  HD1 )(resid   75  and name  HE#  )  1.8  0.0  3.2
assign (resid   49  and name  HD2 )(resid   75  and name  HE#  )  1.8  0.0  3.2
assign (resid   49  and name  HD# )(resid   75  and name  HD#  )  1.8  0.0  3.2
assign (resid   49  and name  HG# )(resid   75  and name  HN  )  1.8  0.0  3.2
assign (resid   50  and name  HA )(resid   51  and name  HN  )  1.8  0.0  1.1
assign (resid   50  and name  HB )(resid   54  and name  HA  )  1.8  0.0  3.2
assign (resid   50  and name  HB )(resid   73  and name  HN  )  1.8  0.0  3.2
assign (resid   50  and name  HG2# )(resid   51  and name  HN  )  1.8  0.0  3.2
assign (resid   50  and name  HG2# )(resid   54  and name  HA  )  1.8  0.0  3.2
assign (resid   50  and name  HG2# )(resid   54  and name  HB#  )  1.8  0.0  3.2
assign (resid   50  and name  HN )(resid   51  and name  HN  )  1.8  0.0  3.2
assign (resid   50  and name  HN )(resid   73  and name  HB#  )  1.8  0.0  3.2
assign (resid   50  and name  HN )(resid   73  and name  HN  )  1.8  0.0  3.2
assign (resid   51  and name  HA )(resid   52  and name  HN  )  1.8  0.0  1.1
assign (resid   51  and name  HA )(resid   72  and name  HA  )  1.8  0.0  1.7
assign (resid   51  and name  HA )(resid   73  and name  HN  )  1.8  0.0  2.2
assign (resid   51  and name  HB# )(resid   72  and name  HA  )  1.8  0.0  3.2
assign (resid   51  and name  HB# )(resid   72  and name  HB#  )  1.8  0.0  3.2
assign (resid   51  and name  HG# )(resid   52  and name  HN  )  1.8  0.0  3.2
assign (resid   51  and name  HN )(resid   52  and name  HN  )  1.8  0.0  3.2
assign (resid   51  and name  HN )(resid   54  and name  HB#  )  1.8  0.0  3.2
assign (resid   51  and name  HN )(resid   54  and name  HD2#  )  1.8  0.0  3.2
assign (resid   52  and name  HA )(resid   53  and name  HN  )  1.8  0.0  1.1
assign (resid   52  and name  HA )(resid   69  and name  HB#  )  1.8  0.0  3.2
assign (resid   52  and name  HB# )(resid   70  and name  HA  )  1.8  0.0  3.2
assign (resid   52  and name  HB# )(resid   71  and name  HA  )  1.8  0.0  3.2
assign (resid   52  and name  HB# )(resid   71  and name  HN  )  1.8  0.0  3.2
assign (resid   52  and name  HB# )(resid   72  and name  HN  )  1.8  0.0  3.2
assign (resid   52  and name  HN )(resid   53  and name  HN  )  1.8  0.0  3.2
assign (resid   52  and name  HN )(resid   72  and name  HA  )  1.8  0.0  2.2
assign (resid   53  and name  HA1 )(resid   68  and name  HD1#  )  1.8  0.0  3.2
assign (resid   53  and name  HA1 )(resid   68  and name  HG2#  )  1.8  0.0  3.2
assign (resid   53  and name  HA2 )(resid   68  and name  HD1#  )  1.8  0.0  3.2
assign (resid   53  and name  HA2 )(resid   68  and name  HG2#  )  1.8  0.0  3.2
assign (resid   53  and name  HA# )(resid   54  and name  HN  )  1.8  0.0  1.7
assign (resid   53  and name  HA# )(resid   68  and name  HB  )  1.8  0.0  3.2
assign (resid   53  and name  HN )(resid   54  and name  HN  )  1.8  0.0  1.7
assign (resid   53  and name  HN )(resid   68  and name  HB  )  1.8  0.0  3.2
assign (resid   53  and name  HN )(resid   68  and name  HD1#  )  1.8  0.0  3.2
assign (resid   53  and name  HN )(resid   68  and name  HG2#  )  1.8  0.0  3.2
assign (resid   53  and name  HN )(resid   69  and name  HB#  )  1.8  0.0  3.2
assign (resid   54  and name  HA )(resid   55  and name  HN  )  1.8  0.0  1.1
assign (resid   54  and name  HB# )(resid   56  and name  HG##  )  1.8  0.0  3.2
assign (resid   54  and name  HD21 )(resid   70  and name  HA  )  1.8  0.0  3.2
assign (resid   54  and name  HD22 )(resid   70  and name  HA  )  1.8  0.0  3.2
assign (resid   54  and name  HN )(resid   55  and name  HN  )  1.8  0.0  3.2
assign (resid   54  and name  HN )(resid   68  and name  HB  )  1.8  0.0  3.2
assign (resid   54  and name  HN )(resid   68  and name  HG2#  )  1.8  0.0  3.2
assign (resid   54  and name  HN )(resid   69  and name  HB#  )  1.8  0.0  3.2
assign (resid   54  and name  HN )(resid   69  and name  HN  )  1.8  0.0  2.2
assign (resid   54  and name  HN )(resid   70  and name  HA  )  1.8  0.0  2.2
assign (resid   55  and name  HA )(resid   68  and name  HA  )  1.8  0.0  1.7
assign (resid   55  and name  HA )(resid   68  and name  HB  )  1.8  0.0  3.2
assign (resid   55  and name  HA )(resid   68  and name  HD1#  )  1.8  0.0  3.2
assign (resid   55  and name  HA )(resid   68  and name  HG2#  )  1.8  0.0  3.2
assign (resid   55  and name  HA )(resid   69  and name  HN  )  1.8  0.0  2.2
assign (resid   55  and name  HB )(resid   66  and name  HB#  )  1.8  0.0  3.2
assign (resid   55  and name  HG1# )(resid   56  and name  HN  )  1.8  0.0  3.2
assign (resid   55  and name  HG1# )(resid   58  and name  HB#  )  1.8  0.0  3.2
assign (resid   55  and name  HG1# )(resid   58  and name  HD#  )  1.8  0.0  3.2
assign (resid   55  and name  HG1# )(resid   66  and name  HA  )  1.8  0.0  3.2
assign (resid   55  and name  HG1# )(resid   66  and name  HB#  )  1.8  0.0  3.2
assign (resid   55  and name  HG2# )(resid   58  and name  HA  )  1.8  0.0  3.2
assign (resid   55  and name  HG2# )(resid   58  and name  HB#  )  1.8  0.0  3.2
assign (resid   55  and name  HG2# )(resid   58  and name  HD#  )  1.8  0.0  3.2
assign (resid   55  and name  HG2# )(resid   58  and name  HE#  )  1.8  0.0  3.2
assign (resid   55  and name  HG2# )(resid   66  and name  HA  )  1.8  0.0  3.2
assign (resid   55  and name  HG2# )(resid   66  and name  HB#  )  1.8  0.0  3.2
assign (resid   55  and name  HG2# )(resid   67  and name  HN  )  1.8  0.0  3.2
assign (resid   55  and name  HG## )(resid   56  and name  HN  )  1.8  0.0  3.2
assign (resid   55  and name  HG## )(resid   57  and name  HA  )  1.8  0.0  3.2
assign (resid   55  and name  HG## )(resid   57  and name  HB#  )  1.8  0.0  3.2
assign (resid   55  and name  HG## )(resid   58  and name  HA  )  1.8  0.0  3.2
assign (resid   55  and name  HG## )(resid   58  and name  HB#  )  1.8  0.0  3.2
assign (resid   55  and name  HG## )(resid   58  and name  HE#  )  1.8  0.0  3.2
assign (resid   55  and name  HG## )(resid   58  and name  HG#  )  1.8  0.0  3.2
assign (resid   55  and name  HG## )(resid   67  and name  HB  )  1.8  0.0  3.2
assign (resid   55  and name  HG## )(resid   67  and name  HN  )  1.8  0.0  3.2
assign (resid   55  and name  HG## )(resid   68  and name  HA  )  1.8  0.0  3.2
assign (resid   55  and name  HN )(resid   56  and name  HN  )  1.8  0.0  3.2
assign (resid   55  and name  HN )(resid   68  and name  HG2#  )  1.8  0.0  3.2
assign (resid   56  and name  HB )(resid   67  and name  HB  )  1.8  0.0  3.2
assign (resid   56  and name  HB )(resid   67  and name  HG2#  )  1.8  0.0  3.2
assign (resid   56  and name  HG## )(resid   57  and name  HN  )  1.8  0.0  3.2
assign (resid   56  and name  HG## )(resid   68  and name  HA  )  1.8  0.0  3.2
assign (resid   56  and name  HG## )(resid   69  and name  HA  )  1.8  0.0  3.2
assign (resid   56  and name  HG## )(resid   69  and name  HB#  )  1.8  0.0  3.2
assign (resid   56  and name  HG## )(resid   69  and name  HN  )  1.8  0.0  3.2
assign (resid   56  and name  HN )(resid   57  and name  HN  )  1.8  0.0  1.7
assign (resid   56  and name  HN )(resid   67  and name  HB  )  1.8  0.0  3.2
assign (resid   56  and name  HN )(resid   67  and name  HG2#  )  1.8  0.0  3.2
assign (resid   56  and name  HN )(resid   67  and name  HN  )  1.8  0.0  3.2
assign (resid   56  and name  HN )(resid   68  and name  HA  )  1.8  0.0  2.2
assign (resid   56  and name  HN )(resid   68  and name  HG2#  )  1.8  0.0  3.2
assign (resid   57  and name  HB# )(resid   60  and name  HA  )  1.8  0.0  3.2
assign (resid   57  and name  HB# )(resid   60  and name  HB  )  1.8  0.0  3.2
assign (resid   57  and name  HB# )(resid   60  and name  HD1#  )  1.8  0.0  3.2
assign (resid   57  and name  HB# )(resid   60  and name  HG2#  )  1.8  0.0  3.2
assign (resid   57  and name  HB# )(resid   67  and name  HB  )  1.8  0.0  3.2
assign (resid   57  and name  HB# )(resid   67  and name  HD1#  )  1.8  0.0  3.2
assign (resid   57  and name  HB# )(resid   67  and name  HG11  )  1.8  0.0  3.2
assign (resid   57  and name  HB# )(resid   67  and name  HG12  )  1.8  0.0  3.2
assign (resid   57  and name  HB# )(resid   67  and name  HG2#  )  1.8  0.0  3.2
assign (resid   57  and name  HB# )(resid   67  and name  HN  )  1.8  0.0  3.2
assign (resid   57  and name  HN )(resid   58  and name  HN  )  1.8  0.0  3.2
assign (resid   57  and name  HN )(resid   67  and name  HB  )  1.8  0.0  3.2
assign (resid   57  and name  HN )(resid   67  and name  HG1#  )  1.8  0.0  3.2
assign (resid   57  and name  HN )(resid   67  and name  HG2#  )  1.8  0.0  3.2
assign (resid   57  and name  HN )(resid   67  and name  HN  )  1.8  0.0  2.2
assign (resid   58  and name  HA )(resid   59  and name  HN  )  1.8  0.0  1.1
assign (resid   58  and name  HA )(resid   66  and name  HA  )  1.8  0.0  1.7
assign (resid   58  and name  HA )(resid   67  and name  HN  )  1.8  0.0  2.2
assign (resid   58  and name  HG# )(resid   59  and name  HN  )  1.8  0.0  3.2
assign (resid   58  and name  HN )(resid   59  and name  HN  )  1.8  0.0  3.2
assign (resid   59  and name  HA )(resid   63  and name  HG2#  )  1.8  0.0  3.2
assign (resid   59  and name  HA )(resid   64  and name  HN  )  1.8  0.0  3.2
assign (resid   59  and name  HA )(resid   65  and name  HN  )  1.8  0.0  3.2
assign (resid   59  and name  HD21 )(resid   62  and name  HA  )  1.8  0.0  3.2
assign (resid   59  and name  HD22 )(resid   62  and name  HA  )  1.8  0.0  3.2
assign (resid   59  and name  HN )(resid   60  and name  HN  )  1.8  0.0  3.2
assign (resid   59  and name  HN )(resid   66  and name  HA  )  1.8  0.0  3.2
assign (resid   60  and name  HA )(resid   62  and name  HN  )  1.8  0.0  3.2
assign (resid   60  and name  HB )(resid   67  and name  HD1#  )  1.8  0.0  3.2
assign (resid   60  and name  HD1# )(resid   61  and name  HN  )  1.8  0.0  3.2
assign (resid   60  and name  HD1# )(resid   67  and name  HD1#  )  1.8  0.0  3.2
assign (resid   60  and name  HD1# )(resid   67  and name  HG11  )  1.8  0.0  3.2
assign (resid   60  and name  HD1# )(resid   67  and name  HG12  )  1.8  0.0  3.2
assign (resid   60  and name  HG2# )(resid   61  and name  HN  )  1.8  0.0  3.2
assign (resid   60  and name  HG2# )(resid   63  and name  HG2#  )  1.8  0.0  3.2
assign (resid   60  and name  HG2# )(resid   65  and name  HB  )  1.8  0.0  3.2
assign (resid   60  and name  HG2# )(resid   65  and name  HG1#  )  1.8  0.0  3.2
assign (resid   60  and name  HG2# )(resid   65  and name  HG2#  )  1.8  0.0  3.2
assign (resid   60  and name  HG2# )(resid   65  and name  HN  )  1.8  0.0  3.2
assign (resid   60  and name  HG2# )(resid   66  and name  HA  )  1.8  0.0  3.2
assign (resid   60  and name  HG2# )(resid   67  and name  HB  )  1.8  0.0  3.2
assign (resid   60  and name  HG2# )(resid   67  and name  HD1#  )  1.8  0.0  3.2
assign (resid   60  and name  HG2# )(resid   67  and name  HG11  )  1.8  0.0  3.2
assign (resid   60  and name  HG2# )(resid   67  and name  HG12  )  1.8  0.0  3.2
assign (resid   60  and name  HG2# )(resid   67  and name  HG2#  )  1.8  0.0  3.2
assign (resid   60  and name  HG2# )(resid   67  and name  HN  )  1.8  0.0  3.2
assign (resid   60  and name  HN )(resid   62  and name  HN  )  1.8  0.0  3.2
assign (resid   60  and name  HN )(resid   63  and name  HG2#  )  1.8  0.0  3.2
assign (resid   60  and name  HN )(resid   65  and name  HB  )  1.8  0.0  3.2
assign (resid   60  and name  HN )(resid   65  and name  HG##  )  1.8  0.0  3.2
assign (resid   61  and name  HB# )(resid   63  and name  HG2#  )  1.8  0.0  3.2
assign (resid   61  and name  HG# )(resid   63  and name  HG2#  )  1.8  0.0  3.2
assign (resid   61  and name  HN )(resid   62  and name  HN  )  1.8  0.0  3.2
assign (resid   62  and name  HA )(resid   64  and name  HN  )  1.8  0.0  3.2
assign (resid   62  and name  HN )(resid   63  and name  HN  )  1.8  0.0  1.7
assign (resid   62  and name  HN )(resid   64  and name  HN  )  1.8  0.0  3.2
assign (resid   63  and name  HA )(resid   65  and name  HG##  )  1.8  0.0  3.2
assign (resid   63  and name  HG2# )(resid   64  and name  HN  )  1.8  0.0  3.2
assign (resid   63  and name  HN )(resid   64  and name  HN  )  1.8  0.0  1.7
assign (resid   64  and name  HN )(resid   65  and name  HN  )  1.8  0.0  1.7
assign (resid   65  and name  HA )(resid   66  and name  HN  )  1.8  0.0  1.7
assign (resid   65  and name  HG1# )(resid   66  and name  HN  )  1.8  0.0  3.2
assign (resid   65  and name  HG2# )(resid   66  and name  HN  )  1.8  0.0  3.2
assign (resid   65  and name  HG## )(resid   67  and name  HA  )  1.8  0.0  3.2
assign (resid   65  and name  HG## )(resid   67  and name  HD1#  )  1.8  0.0  3.2
assign (resid   65  and name  HN )(resid   66  and name  HN  )  1.8  0.0  3.2
assign (resid   66  and name  HA )(resid   67  and name  HN  )  1.8  0.0  1.1
assign (resid   66  and name  HB# )(resid   68  and name  HD1#  )  1.8  0.0  3.2
assign (resid   66  and name  HN )(resid   67  and name  HN  )  1.8  0.0  3.2
assign (resid   67  and name  HA )(resid   68  and name  HN  )  1.8  0.0  1.1
assign (resid   67  and name  HB )(resid   68  and name  HN  )  1.8  0.0  3.2
assign (resid   67  and name  HD1# )(resid   68  and name  HN  )  1.8  0.0  3.2
assign (resid   67  and name  HG2# )(resid   68  and name  HN  )  1.8  0.0  3.2
assign (resid   68  and name  HA )(resid   69  and name  HN  )  1.8  0.0  1.1
assign (resid   68  and name  HB )(resid   69  and name  HN  )  1.8  0.0  3.2
assign (resid   68  and name  HD1# )(resid   69  and name  HN  )  1.8  0.0  3.2
assign (resid   68  and name  HG2# )(resid   69  and name  HN  )  1.8  0.0  3.2
assign (resid   69  and name  HA )(resid   70  and name  HN  )  1.8  0.0  1.1
assign (resid   69  and name  HN )(resid   70  and name  HN  )  1.8  0.0  3.2
assign (resid   70  and name  HA )(resid   71  and name  HN  )  1.8  0.0  1.7
assign (resid   70  and name  HA )(resid   72  and name  HD21  )  1.8  0.0  3.2
assign (resid   70  and name  HA )(resid   72  and name  HD22  )  1.8  0.0  3.2
assign (resid   70  and name  HG2# )(resid   71  and name  HN  )  1.8  0.0  3.2
assign (resid   70  and name  HN )(resid   71  and name  HN  )  1.8  0.0  1.7
assign (resid   71  and name  HA )(resid   72  and name  HN  )  1.8  0.0  1.7
assign (resid   71  and name  HB# )(resid   73  and name  HD1#  )  1.8  0.0  3.2
assign (resid   71  and name  HB# )(resid   73  and name  HD2#  )  1.8  0.0  3.2
assign (resid   71  and name  HD# )(resid   72  and name  HN  )  1.8  0.0  3.2
assign (resid   71  and name  HD# )(resid   73  and name  HD1#  )  1.8  0.0  3.2
assign (resid   71  and name  HD# )(resid   73  and name  HD##  )  1.8  0.0  3.2
assign (resid   71  and name  HE# )(resid   73  and name  HD##  )  1.8  0.0  3.2
assign (resid   71  and name  HG# )(resid   72  and name  HN  )  1.8  0.0  3.2
assign (resid   71  and name  HG# )(resid   73  and name  HD##  )  1.8  0.0  3.2
assign (resid   71  and name  HN )(resid   72  and name  HN  )  1.8  0.0  3.2
assign (resid   72  and name  HA )(resid   73  and name  HN  )  1.8  0.0  1.7
assign (resid   73  and name  HA )(resid   74  and name  HD#  )  1.8  0.0  1.7
assign (resid   74  and name  HA )(resid   75  and name  HN  )  1.8  0.0  1.7
assign (resid   74  and name  HD# )(resid   75  and name  HN  )  1.8  0.0  3.2
assign (resid   75  and name  HA )(resid   76  and name  HN  )  1.8  0.0  1.7
assign (resid   75  and name  HG# )(resid   76  and name  HN  )  1.8  0.0  3.2
assign (resid   75  and name  HN )(resid   76  and name  HN  )  1.8  0.0  3.2
assign (resid   76  and name  HA )(resid   77  and name  HN  )  1.8  0.0  1.7
assign (resid   77  and name  HA )(resid   78  and name  HN  )  1.8  0.0  1.7
assign (resid   78  and name  HA )(resid   79  and name  HN  )  1.8  0.0  1.7

!Manual Input

! PHI for LYS 3
assign (resid  2   and name C   )  (resid  3  and name N   )
       (resid  3   and name CA  )  (resid  3  and name C   )  1.0 -104.77 30 2

! PSI for LYS 3
assign (resid  3   and name N   )  (resid  3  and name CA  )
       (resid  3   and name C   )  (resid  4  and name N   )  1.0 150.06 40 2

! PHI for ASP 4
assign (resid  3   and name C   )  (resid  4  and name N   )
       (resid  4   and name CA  )  (resid  4  and name C   )  1.0 -110.57 30 2

! PSI for ASP 4
assign (resid  4   and name N   )  (resid  4  and name CA  )
       (resid  4   and name C   )  (resid  5  and name N   )  1.0 139.77 40 2

! PHI for PHE 6
assign (resid  5   and name C   )  (resid  6  and name N   )
       (resid  6   and name CA  )  (resid  6  and name C   )  1.0 -89.25 30 2

! PSI for PHE 6
assign (resid  6   and name N   )  (resid  6  and name CA  )
       (resid  6   and name C   )  (resid  7  and name N   )  1.0 129.56 40 2

! PHI for THR 7
assign (resid  6   and name C   )  (resid  7  and name N   )
       (resid  7   and name CA  )  (resid  7  and name C   )  1.0 -128.48 30 2

! PSI for THR 7
assign (resid  7   and name N   )  (resid  7  and name CA  )
       (resid  7   and name C   )  (resid  8  and name N   )  1.0 160.48 40 2

! PHI for VAL 9
assign (resid  8   and name C   )  (resid  9  and name N   )
       (resid  9   and name CA  )  (resid  9  and name C   )  1.0 -140.11 30 2

! PSI for VAL 9
assign (resid  9   and name N   )  (resid  9  and name CA  )
       (resid  9   and name C   )  (resid  10  and name N   )  1.0 156.42 40 2

! PHI for VAL 10
assign (resid  9   and name C   )  (resid  10  and name N   )
       (resid  10   and name CA  )  (resid  10  and name C   )  1.0 -135.67 30 2

! PSI for VAL 10
assign (resid  10   and name N   )  (resid  10  and name CA  )
       (resid  10   and name C   )  (resid  11  and name N   )  1.0 144.29 40 2

! PHI for VAL 12
assign (resid  11   and name C   )  (resid  12  and name N   )
       (resid  12   and name CA  )  (resid  12  and name C   )  1.0 -114.23 30 2

! PSI for VAL 12
assign (resid  12   and name N   )  (resid  12  and name CA  )
       (resid  12   and name C   )  (resid  13  and name N   )  1.0 133.31 40 2

! PHI for ARG 13
assign (resid  12   and name C   )  (resid  13  and name N   )
       (resid  13   and name CA  )  (resid  13  and name C   )  1.0 -110.17 30 2

! PSI for ARG 13
assign (resid  13   and name N   )  (resid  13  and name CA  )
       (resid  13   and name C   )  (resid  14  and name N   )  1.0 140.92 40 2

! PHI for VAL 20
assign (resid  19   and name C   )  (resid  20  and name N   )
       (resid  20   and name CA  )  (resid  20  and name C   )  1.0 -133.79 30 2

! PSI for VAL 20
assign (resid  20   and name N   )  (resid  20  and name CA  )
       (resid  20   and name C   )  (resid  21  and name N   )  1.0 154.04 40 2

! PHI for VAL 21
assign (resid  20   and name C   )  (resid  21  and name N   )
       (resid  21   and name CA  )  (resid  21  and name C   )  1.0 -136.79 30 2

! PSI for VAL 21
assign (resid  21   and name N   )  (resid  21  and name CA  )
       (resid  21   and name C   )  (resid  22  and name N   )  1.0 149.47 40 2

! PHI for LYS 24
assign (resid  23   and name C   )  (resid  24  and name N   )
       (resid  24   and name CA  )  (resid  24  and name C   )  1.0 -130.19 30 2

! PSI for LYS 24
assign (resid  24   and name N   )  (resid  24  and name CA  )
       (resid  24   and name C   )  (resid  25  and name N   )  1.0 138.77 40 2

! PHI for SER 25
assign (resid  24   and name C   )  (resid  25  and name N   )
       (resid  25   and name CA  )  (resid  25  and name C   )  1.0 -139.42 30 2

! PSI for SER 25
assign (resid  25   and name N   )  (resid  25  and name CA  )
       (resid  25   and name C   )  (resid  26  and name N   )  1.0 142.79 40 2

! PHI for VAL 29
assign (resid  28   and name C   )  (resid  29  and name N   )
       (resid  29   and name CA  )  (resid  29  and name C   )  1.0 -123.45 30 2

! PSI for VAL 29
assign (resid  29   and name N   )  (resid  29  and name CA  )
       (resid  29   and name C   )  (resid  30  and name N   )  1.0 141.96 40 2

! PHI for GLU 30
assign (resid  29   and name C   )  (resid  30  and name N   )
       (resid  30   and name CA  )  (resid  30  and name C   )  1.0 -68.42 30 2

! PSI for GLU 30
assign (resid  30   and name N   )  (resid  30  and name CA  )
       (resid  30   and name C   )  (resid  31  and name N   )  1.0 142.2 40 2

! PHI for LYS 33
assign (resid  32   and name C   )  (resid  33  and name N   )
       (resid  33   and name CA  )  (resid  33  and name C   )  1.0 -86.14 30 2

! PSI for LYS 33
assign (resid  33   and name N   )  (resid  33  and name CA  )
       (resid  33   and name C   )  (resid  34  and name N   )  1.0 -14.82 40 2

! PHI for TRP 34
assign (resid  33   and name C   )  (resid  34  and name N   )
       (resid  34   and name CA  )  (resid  34  and name C   )  1.0 -57.51 30 2

! PSI for TRP 34
assign (resid  34   and name N   )  (resid  34  and name CA  )
       (resid  34   and name C   )  (resid  35  and name N   )  1.0 -41.36 40 2

! PHI for ILE 35
assign (resid  34   and name C   )  (resid  35  and name N   )
       (resid  35   and name CA  )  (resid  35  and name C   )  1.0 -64.08 30 2

! PSI for ILE 35
assign (resid  35   and name N   )  (resid  35  and name CA  )
       (resid  35   and name C   )  (resid  36  and name N   )  1.0 -43.23 40 2

! PHI for ASP 36
assign (resid  35   and name C   )  (resid  36  and name N   )
       (resid  36   and name CA  )  (resid  36  and name C   )  1.0 -62.59 30 2

! PSI for ASP 36
assign (resid  36   and name N   )  (resid  36  and name CA  )
       (resid  36   and name C   )  (resid  37  and name N   )  1.0 -40.26 40 2

! PHI for PHE 37
assign (resid  36   and name C   )  (resid  37  and name N   )
       (resid  37   and name CA  )  (resid  37  and name C   )  1.0 -66.89 30 2

! PSI for PHE 37
assign (resid  37   and name N   )  (resid  37  and name CA  )
       (resid  37   and name C   )  (resid  38  and name N   )  1.0 -42.26 40 2

! PHI for SER 38
assign (resid  37   and name C   )  (resid  38  and name N   )
       (resid  38   and name CA  )  (resid  38  and name C   )  1.0 -63.32 30 2

! PSI for SER 38
assign (resid  38   and name N   )  (resid  38  and name CA  )
       (resid  38   and name C   )  (resid  39  and name N   )  1.0 -38.53 40 2

! PHI for ASN 39
assign (resid  38   and name C   )  (resid  39  and name N   )
       (resid  39   and name CA  )  (resid  39  and name C   )  1.0 -65.07 30 2

! PSI for ASN 39
assign (resid  39   and name N   )  (resid  39  and name CA  )
       (resid  39   and name C   )  (resid  40  and name N   )  1.0 -40.67 40 2

! PHI for VAL 40
assign (resid  39   and name C   )  (resid  40  and name N   )
       (resid  40   and name CA  )  (resid  40  and name C   )  1.0 -63.85 30 2

! PSI for VAL 40
assign (resid  40   and name N   )  (resid  40  and name CA  )
       (resid  40   and name C   )  (resid  41  and name N   )  1.0 -45.01 40 2

! PHI for LEU 41
assign (resid  40   and name C   )  (resid  41  and name N   )
       (resid  41   and name CA  )  (resid  41  and name C   )  1.0 -60.88 30 2

! PSI for LEU 41
assign (resid  41   and name N   )  (resid  41  and name CA  )
       (resid  41   and name C   )  (resid  42  and name N   )  1.0 -41.02 40 2

! PHI for SER 42
assign (resid  41   and name C   )  (resid  42  and name N   )
       (resid  42   and name CA  )  (resid  42  and name C   )  1.0 -68.04 30 2

! PSI for SER 42
assign (resid  42   and name N   )  (resid  42  and name CA  )
       (resid  42   and name C   )  (resid  43  and name N   )  1.0 -33.44 40 2

! PHI for CYS 57
assign (resid  56   and name C   )  (resid  57  and name N   )
       (resid  57   and name CA  )  (resid  57  and name C   )  1.0 -100.67 30 2

! PSI for CYS 57
assign (resid  57   and name N   )  (resid  57  and name CA  )
       (resid  57   and name C   )  (resid  58  and name N   )  1.0 125.58 40 2

! PHI for LYS 58
assign (resid  57   and name C   )  (resid  58  and name N   )
       (resid  58   and name CA  )  (resid  58  and name C   )  1.0 -105.89 30 2

! PSI for LYS 58
assign (resid  58   and name N   )  (resid  58  and name CA  )
       (resid  58   and name C   )  (resid  59  and name N   )  1.0 121.78 40 2

! PHI for VAL 65
assign (resid  64   and name C   )  (resid  65  and name N   )
       (resid  65   and name CA  )  (resid  65  and name C   )  1.0 -96.8 30 2

! PSI for VAL 65
assign (resid  65   and name N   )  (resid  65  and name CA  )
       (resid  65   and name C   )  (resid  66  and name N   )  1.0 139.11 40 2

! PHI for ASP 66
assign (resid  65   and name C   )  (resid  66  and name N   )
       (resid  66   and name CA  )  (resid  66  and name C   )  1.0 -125.65 30 2

! PSI for ASP 66
assign (resid  66   and name N   )  (resid  66  and name CA  )
       (resid  66   and name C   )  (resid  67  and name N   )  1.0 138.86 40 2

! PHI for LYS 71
assign (resid  70   and name C   )  (resid  71  and name N   )
       (resid  71   and name CA  )  (resid  71  and name C   )  1.0 -126.63 30 2

! PSI for LYS 71
assign (resid  71   and name N   )  (resid  71  and name CA  )
       (resid  71   and name C   )  (resid  72  and name N   )  1.0 153.16 40 2

! PHI for ASN 72
assign (resid  71   and name C   )  (resid  72  and name N   )
       (resid  72   and name CA  )  (resid  72  and name C   )  1.0 -96.71 30 2

! PSI for ASN 72
assign (resid  72   and name N   )  (resid  72  and name CA  )
       (resid  72   and name C   )  (resid  73  and name N   )  1.0 125.25 40 2

! PHI for LEU 73
assign (resid  72   and name C   )  (resid  73  and name N   )
       (resid  73   and name CA  )  (resid  73  and name C   )  1.0 -89.82 30 2

! PSI for LEU 73
assign (resid  73   and name N   )  (resid  73  and name CA  )
       (resid  73   and name C   )  (resid  74  and name N   )  1.0 127.77 40 2

!END Manual Input


! typical xplor hbond restraints 1.8-2.3 Ang, 2.8-3.3 Ang 
assign (resid   8  and name  HN )(resid   23  and name  O  )  1.8  0.0  0.5
assign (resid   8  and name  N )(resid   23  and name  O  )  2.7  0.0  0.6
assign (resid   23  and name  HN )(resid   8  and name  O  )  1.8  0.0  0.5
assign (resid   23  and name  N )(resid   8  and name  O  )  2.7  0.0  0.6
assign (resid   10  and name  HN )(resid   21  and name  O  )  1.8  0.0  0.5
assign (resid   10  and name  N )(resid   21  and name  O  )  2.7  0.0  0.6
assign (resid   21  and name  HN )(resid   10  and name  O  )  1.8  0.0  0.5
assign (resid   21  and name  N )(resid   10  and name  O  )  2.7  0.0  0.6
assign (resid   24  and name  HN )(resid   68  and name  O  )  1.8  0.0  0.5
assign (resid   24  and name  N )(resid   68  and name  O  )  2.7  0.0  0.6
assign (resid   68  and name  HN )(resid   24  and name  O  )  1.8  0.0  0.5
assign (resid   68  and name  N )(resid   24  and name  O  )  2.7  0.0  0.6
assign (resid   13  and name  HN )(resid   46  and name  O  )  1.8  0.0  0.5
assign (resid   13  and name  N )(resid   46  and name  O  )  2.7  0.0  0.6
assign (resid   29  and name  HN )(resid   4  and name  O  )  1.8  0.0  0.5
assign (resid   29  and name  N )(resid   4  and name  O  )  2.7  0.0  0.6
assign (resid   69  and name  HN )(resid   54  and name  O  )  1.8  0.0  0.5
assign (resid   69  and name  N )(resid   54  and name  O  )  2.7  0.0  0.6
assign (resid   38  and name  HN )(resid   34  and name  O  )  1.8  0.0  0.5
assign (resid   38  and name  N )(resid   34  and name  O  )  2.7  0.0  0.6
assign (resid   39  and name  HN )(resid   35  and name  O  )  1.8  0.0  0.5
assign (resid   39  and name  N )(resid   35  and name  O  )  2.7  0.0  0.6
assign (resid   40  and name  HN )(resid   36  and name  O  )  1.8  0.0  0.5
assign (resid   40  and name  N )(resid   36  and name  O  )  2.7  0.0  0.6
assign (resid   41  and name  HN )(resid   37  and name  O  )  1.8  0.0  0.5
assign (resid   41  and name  N )(resid   37  and name  O  )  2.7  0.0  0.6
assign (resid   42  and name  HN )(resid   38  and name  O  )  1.8  0.0  0.5
assign (resid   42  and name  N )(resid   38  and name  O  )  2.7  0.0  0.6

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          HT1       MET   1 -20.319  -5.431   8.201
    2   2H    MET   1          HT2       MET   1 -21.663  -6.245   7.570
    3   3H    MET   1          HT3       MET   1 -20.899  -6.832   8.965
    4    HA   MET   1           HA       MET   1 -22.931  -5.738   9.562
    5   1HB   MET   1          HB2       MET   1 -20.522  -4.043  10.266
    6   2HB   MET   1          HB1       MET   1 -22.043  -4.085  11.145
    7   1HG   MET   1          HG2       MET   1 -20.061  -6.330  10.859
    8   2HG   MET   1          HG1       MET   1 -20.406  -5.395  12.312
    9   1HE   MET   1          HE1       MET   1 -20.391  -8.591  12.185
   10   2HE   MET   1          HE2       MET   1 -21.819  -8.964  13.151
   11   3HE   MET   1          HE3       MET   1 -20.721  -7.679  13.660
   12    H    HIS   2           HN       HIS   2 -20.753  -3.086   8.557
   13    HA   HIS   2           HA       HIS   2 -22.993  -2.012   6.963
   14   1HB   HIS   2          HB2       HIS   2 -20.862  -0.433   8.430
   15   2HB   HIS   2          HB1       HIS   2 -22.086   0.256   7.370
   16    HD1  HIS   2           HD1      HIS   2 -24.672  -0.533   8.272
   17    HD2  HIS   2           HD2      HIS   2 -21.558  -0.191  11.009
   18    HE1  HIS   2           HE1      HIS   2 -25.770  -0.225  10.516
   19    HE2  HIS   2           HE2      HIS   2 -23.866   0.134  12.133
   20    H    LYS   3           HN       LYS   3 -19.536  -1.312   7.315
   21    HA   LYS   3           HA       LYS   3 -19.114  -2.088   4.520
   22   1HB   LYS   3          HB2       LYS   3 -18.246   0.511   5.800
   23   2HB   LYS   3          HB1       LYS   3 -17.586  -0.091   4.285
   24   1HG   LYS   3          HG2       LYS   3 -19.865  -0.057   3.321
   25   2HG   LYS   3          HG1       LYS   3 -20.452   0.663   4.827
   26   1HD   LYS   3          HD2       LYS   3 -18.973   2.578   4.486
   27   2HD   LYS   3          HD1       LYS   3 -18.359   1.848   3.000
   28   1HE   LYS   3          HE2       LYS   3 -20.737   1.847   2.162
   29   2HE   LYS   3          HE1       LYS   3 -21.143   2.848   3.556
   30   1HZ   LYS   3          HZ1       LYS   3 -19.494   4.475   2.784
   31   2HZ   LYS   3          HZ2       LYS   3 -20.732   4.228   1.649
   32   3HZ   LYS   3          HZ3       LYS   3 -19.205   3.523   1.405
   33    H    ASP   4           HN       ASP   4 -16.723  -2.331   4.054
   34    HA   ASP   4           HA       ASP   4 -15.453  -3.503   6.453
   35   1HB   ASP   4          HB2       ASP   4 -16.313  -5.043   4.570
   36   2HB   ASP   4          HB1       ASP   4 -14.963  -4.428   3.625
   37    H    ILE   5           HN       ILE   5 -13.234  -3.191   6.741
   38    HA   ILE   5           HA       ILE   5 -12.105  -0.837   5.660
   39    HB   ILE   5           HB       ILE   5 -10.936  -3.071   7.312
   40   1HG1  ILE   5          HG12      ILE   5 -12.490  -1.455   8.389
   41   2HG1  ILE   5          HG11      ILE   5 -10.865  -1.402   9.067
   42   1HG2  ILE   5          HG21      ILE   5  -8.892  -1.723   7.550
   43   2HG2  ILE   5          HG22      ILE   5  -9.502  -0.605   6.328
   44   3HG2  ILE   5          HG23      ILE   5  -9.139  -2.275   5.894
   45   1HD1  ILE   5          HD11      ILE   5 -10.385   0.591   7.713
   46   2HD1  ILE   5          HD12      ILE   5 -11.745   0.831   8.813
   47   3HD1  ILE   5          HD13      ILE   5 -12.039   0.547   7.097
   48    H    PHE   6           HN       PHE   6 -11.271  -0.578   3.728
   49    HA   PHE   6           HA       PHE   6 -10.797  -2.612   1.877
   50   1HB   PHE   6          HB2       PHE   6 -11.165  -0.367   1.106
   51   2HB   PHE   6          HB1       PHE   6  -9.779   0.232   2.016
   52    HD1  PHE   6           HD1      PHE   6 -10.756  -1.909  -0.839
   53    HD2  PHE   6           HD2      PHE   6  -7.635   0.263   1.069
   54    HE1  PHE   6           HE1      PHE   6  -9.322  -2.247  -2.806
   55    HE2  PHE   6           HE2      PHE   6  -6.195  -0.070  -0.897
   56    HZ   PHE   6           HZ       PHE   6  -7.039  -1.329  -2.838
   57    H    THR   7           HN       THR   7  -9.220  -4.029   1.722
   58    HA   THR   7           HA       THR   7  -6.497  -3.265   2.426
   59    HB   THR   7           HB       THR   7  -7.748  -5.842   3.425
   60    HG1  THR   7           HG1      THR   7  -7.889  -3.411   4.458
   61   1HG2  THR   7          HG21      THR   7  -5.015  -4.638   3.903
   62   2HG2  THR   7          HG22      THR   7  -5.364  -6.055   2.911
   63   3HG2  THR   7          HG23      THR   7  -5.636  -6.110   4.653
   64    H    SER   8           HN       SER   8  -5.229  -3.794   0.737
   65    HA   SER   8           HA       SER   8  -5.855  -6.107  -0.913
   66   1HB   SER   8          HB2       SER   8  -7.176  -4.030  -1.720
   67   2HB   SER   8          HB1       SER   8  -5.612  -3.408  -2.243
   68    HG   SER   8           HG       SER   8  -7.090  -4.806  -3.704
   69    H    VAL   9           HN       VAL   9  -4.179  -6.010  -2.879
   70    HA   VAL   9           HA       VAL   9  -1.564  -5.357  -1.678
   71    HB   VAL   9           HB       VAL   9  -2.207  -7.575  -3.632
   72   1HG1  VAL   9          HG11      VAL   9   0.355  -6.902  -2.197
   73   2HG1  VAL   9          HG12      VAL   9   0.041  -6.703  -3.921
   74   3HG1  VAL   9          HG13      VAL   9   0.086  -8.318  -3.214
   75   1HG2  VAL   9          HG21      VAL   9  -3.120  -8.058  -1.427
   76   2HG2  VAL   9          HG22      VAL   9  -1.554  -7.716  -0.688
   77   3HG2  VAL   9          HG23      VAL   9  -1.739  -9.099  -1.768
   78    H    VAL  10           HN       VAL  10  -0.480  -3.807  -2.710
   79    HA   VAL  10           HA       VAL  10  -1.118  -3.330  -5.548
   80    HB   VAL  10           HB       VAL  10  -1.742  -1.463  -4.049
   81   1HG1  VAL  10          HG11      VAL  10  -0.055  -1.734  -2.332
   82   2HG1  VAL  10          HG12      VAL  10  -0.007  -0.101  -2.993
   83   3HG1  VAL  10          HG13      VAL  10   1.209  -1.283  -3.476
   84   1HG2  VAL  10          HG21      VAL  10  -1.189  -0.974  -6.355
   85   2HG2  VAL  10          HG22      VAL  10   0.519  -0.842  -5.942
   86   3HG2  VAL  10          HG23      VAL  10  -0.633   0.332  -5.309
   87    H    ARG  11           HN       ARG  11   0.607  -2.780  -6.958
   88    HA   ARG  11           HA       ARG  11   2.986  -4.295  -6.424
   89   1HB   ARG  11          HB2       ARG  11   2.185  -2.606  -8.795
   90   2HB   ARG  11          HB1       ARG  11   3.623  -3.615  -8.732
   91   1HG   ARG  11          HG2       ARG  11   2.233  -5.602  -8.489
   92   2HG   ARG  11          HG1       ARG  11   0.782  -4.596  -8.520
   93   1HD   ARG  11          HD2       ARG  11   1.292  -3.866 -10.765
   94   2HD   ARG  11          HD1       ARG  11   2.812  -4.756 -10.742
   95    HE   ARG  11           HE       ARG  11   0.479  -6.396 -10.287
   96   1HH1  ARG  11          HH11      ARG  11   2.548  -4.953 -12.735
   97   2HH1  ARG  11          HH12      ARG  11   2.171  -6.156 -13.930
   98   1HH2  ARG  11          HH21      ARG  11   0.015  -7.991 -11.864
   99   2HH2  ARG  11          HH22      ARG  11   0.758  -7.889 -13.436
  100    H    VAL  12           HN       VAL  12   4.973  -3.579  -5.908
  101    HA   VAL  12           HA       VAL  12   5.313  -0.665  -5.619
  102    HB   VAL  12           HB       VAL  12   6.864  -2.767  -4.114
  103   1HG1  VAL  12          HG11      VAL  12   6.457   0.181  -3.633
  104   2HG1  VAL  12          HG12      VAL  12   7.929  -0.588  -4.223
  105   3HG1  VAL  12          HG13      VAL  12   7.361  -0.911  -2.585
  106   1HG2  VAL  12          HG21      VAL  12   5.407  -2.337  -2.209
  107   2HG2  VAL  12          HG22      VAL  12   4.508  -3.007  -3.571
  108   3HG2  VAL  12          HG23      VAL  12   4.408  -1.283  -3.210
  109    H    ARG  13           HN       ARG  13   6.569   0.152  -7.129
  110    HA   ARG  13           HA       ARG  13   8.329  -1.607  -8.654
  111   1HB   ARG  13          HB2       ARG  13   6.647  -0.018  -9.706
  112   2HB   ARG  13          HB1       ARG  13   7.686   1.296  -9.180
  113   1HG   ARG  13          HG2       ARG  13   8.141   0.834 -11.473
  114   2HG   ARG  13          HG1       ARG  13   9.525   0.298 -10.519
  115   1HD   ARG  13          HD2       ARG  13   8.908  -1.976 -10.727
  116   2HD   ARG  13          HD1       ARG  13   7.309  -1.560 -11.342
  117    HE   ARG  13           HE       ARG  13   9.313  -0.543 -13.059
  118   1HH1  ARG  13          HH11      ARG  13   7.842  -3.581 -12.117
  119   2HH1  ARG  13          HH12      ARG  13   8.069  -4.317 -13.680
  120   1HH2  ARG  13          HH21      ARG  13   9.599  -1.496 -15.102
  121   2HH2  ARG  13          HH22      ARG  13   9.070  -3.130 -15.375
  122    H    GLY  14           HN       GLY  14  10.196  -1.864  -7.480
  123   1HA   GLY  14          HA2       GLY  14  12.267  -0.126  -7.850
  124   2HA   GLY  14          HA1       GLY  14  11.585   0.350  -6.299
  125    H    SER  15           HN       SER  15  14.190  -0.615  -6.527
  126    HA   SER  15           HA       SER  15  14.132  -3.409  -5.749
  127   1HB   SER  15          HB2       SER  15  15.974  -2.381  -7.163
  128   2HB   SER  15          HB1       SER  15  16.511  -1.539  -5.711
  129    HG   SER  15           HG       SER  15  16.825  -4.160  -6.447
  130    H    LYS  16           HN       LYS  16  13.245  -3.700  -3.813
  131    HA   LYS  16           HA       LYS  16  14.445  -2.453  -1.494
  132   1HB   LYS  16          HB2       LYS  16  12.028  -1.923  -0.657
  133   2HB   LYS  16          HB1       LYS  16  12.852  -0.787  -1.711
  134   1HG   LYS  16          HG2       LYS  16  10.593  -0.970  -2.439
  135   2HG   LYS  16          HG1       LYS  16  11.613  -1.772  -3.636
  136   1HD   LYS  16          HD2       LYS  16  11.054  -3.940  -2.662
  137   2HD   LYS  16          HD1       LYS  16  10.036  -3.145  -1.461
  138   1HE   LYS  16          HE2       LYS  16   8.508  -3.833  -3.050
  139   2HE   LYS  16          HE1       LYS  16   8.817  -2.162  -3.516
  140   1HZ   LYS  16          HZ1       LYS  16   8.861  -3.528  -5.455
  141   2HZ   LYS  16          HZ2       LYS  16   9.974  -4.598  -4.750
  142   3HZ   LYS  16          HZ3       LYS  16  10.450  -3.020  -5.145
  143    H    LYS  17           HN       LYS  17  14.555  -5.039  -2.427
  144    HA   LYS  17           HA       LYS  17  14.485  -7.167  -1.679
  145   1HB   LYS  17          HB2       LYS  17  14.738  -6.117   0.574
  146   2HB   LYS  17          HB1       LYS  17  12.988  -6.129   0.729
  147   1HG   LYS  17          HG2       LYS  17  12.949  -8.534   0.653
  148   2HG   LYS  17          HG1       LYS  17  14.683  -8.584   0.334
  149   1HD   LYS  17          HD2       LYS  17  15.047  -7.463   2.531
  150   2HD   LYS  17          HD1       LYS  17  13.318  -7.625   2.845
  151   1HE   LYS  17          HE2       LYS  17  15.168  -9.929   2.249
  152   2HE   LYS  17          HE1       LYS  17  14.714  -9.417   3.871
  153   1HZ   LYS  17          HZ1       LYS  17  12.533 -10.090   3.562
  154   2HZ   LYS  17          HZ2       LYS  17  13.416 -11.313   2.783
  155   3HZ   LYS  17          HZ3       LYS  17  12.654 -10.108   1.870
  156    H    TYR  18           HN       TYR  18  11.354  -5.822  -0.593
  157    HA   TYR  18           HA       TYR  18   9.926  -8.151  -1.458
  158   1HB   TYR  18          HB2       TYR  18   9.051  -5.454  -0.432
  159   2HB   TYR  18          HB1       TYR  18   7.899  -6.686  -0.932
  160    HD1  TYR  18           HD1      TYR  18   7.580  -8.694   0.386
  161    HD2  TYR  18           HD2      TYR  18  10.354  -5.711   1.607
  162    HE1  TYR  18           HE1      TYR  18   7.658  -9.695   2.628
  163    HE2  TYR  18           HE2      TYR  18  10.441  -6.707   3.853
  164    HH   TYR  18           HH       TYR  18   9.165  -9.777   4.560
  165    H    ASN  19           HN       ASN  19   7.739  -7.566  -2.752
  166    HA   ASN  19           HA       ASN  19   8.526  -6.016  -5.127
  167   1HB   ASN  19          HB2       ASN  19   7.488  -7.666  -6.585
  168   2HB   ASN  19          HB1       ASN  19   8.761  -8.406  -5.627
  169   1HD2  ASN  19          HD21      ASN  19   8.169  -9.820  -3.913
  170   2HD2  ASN  19          HD22      ASN  19   6.617 -10.586  -3.905
  171    H    VAL  20           HN       VAL  20   5.915  -7.209  -3.116
  172    HA   VAL  20           HA       VAL  20   4.262  -4.974  -4.098
  173    HB   VAL  20           HB       VAL  20   2.234  -6.379  -3.657
  174   1HG1  VAL  20          HG11      VAL  20   3.014  -6.036  -5.932
  175   2HG1  VAL  20          HG12      VAL  20   2.376  -7.670  -5.739
  176   3HG1  VAL  20          HG13      VAL  20   4.119  -7.401  -5.777
  177   1HG2  VAL  20          HG21      VAL  20   2.492  -8.817  -3.591
  178   2HG2  VAL  20          HG22      VAL  20   3.241  -8.044  -2.193
  179   3HG2  VAL  20          HG23      VAL  20   4.244  -8.627  -3.523
  180    H    VAL  21           HN       VAL  21   2.670  -4.204  -2.497
  181    HA   VAL  21           HA       VAL  21   3.455  -4.880   0.258
  182    HB   VAL  21           HB       VAL  21   4.463  -2.708  -0.480
  183   1HG1  VAL  21          HG11      VAL  21   1.606  -1.762  -0.534
  184   2HG1  VAL  21          HG12      VAL  21   2.689  -1.905  -1.919
  185   3HG1  VAL  21          HG13      VAL  21   3.036  -0.734  -0.645
  186   1HG2  VAL  21          HG21      VAL  21   2.492  -2.649   1.791
  187   2HG2  VAL  21          HG22      VAL  21   3.747  -1.439   1.528
  188   3HG2  VAL  21          HG23      VAL  21   4.192  -3.114   1.850
  189    HA   PRO  22           HA       PRO  22  -0.978  -5.231   0.815
  190   1HB   PRO  22          HB2       PRO  22  -0.932  -5.617   3.500
  191   2HB   PRO  22          HB1       PRO  22  -0.535  -6.893   2.342
  192   1HG   PRO  22          HG2       PRO  22   1.290  -5.149   3.943
  193   2HG   PRO  22          HG1       PRO  22   1.420  -6.880   3.588
  194   1HD   PRO  22          HD2       PRO  22   2.841  -4.974   2.261
  195   2HD   PRO  22          HD1       PRO  22   2.356  -6.513   1.522
  196    H    VAL  23           HN       VAL  23  -2.187  -3.473   0.741
  197    HA   VAL  23           HA       VAL  23  -1.591  -1.252   2.578
  198    HB   VAL  23           HB       VAL  23  -2.739   0.223   0.955
  199   1HG1  VAL  23          HG11      VAL  23  -0.442  -1.343  -0.204
  200   2HG1  VAL  23          HG12      VAL  23  -0.309   0.006   0.925
  201   3HG1  VAL  23          HG13      VAL  23  -0.948   0.272  -0.699
  202   1HG2  VAL  23          HG21      VAL  23  -4.163  -1.426  -0.132
  203   2HG2  VAL  23          HG22      VAL  23  -2.741  -2.218  -0.813
  204   3HG2  VAL  23          HG23      VAL  23  -3.167  -0.582  -1.319
  205    H    LYS  24           HN       LYS  24  -3.328  -0.164   3.543
  206    HA   LYS  24           HA       LYS  24  -5.944  -1.453   3.372
  207   1HB   LYS  24          HB2       LYS  24  -6.174  -1.374   5.831
  208   2HB   LYS  24          HB1       LYS  24  -4.897  -2.466   5.313
  209   1HG   LYS  24          HG2       LYS  24  -3.208  -0.878   5.919
  210   2HG   LYS  24          HG1       LYS  24  -4.427   0.349   6.267
  211   1HD   LYS  24          HD2       LYS  24  -3.560  -0.697   8.313
  212   2HD   LYS  24          HD1       LYS  24  -5.286  -0.987   8.101
  213   1HE   LYS  24          HE2       LYS  24  -4.789  -3.216   7.197
  214   2HE   LYS  24          HE1       LYS  24  -3.067  -2.924   7.442
  215   1HZ   LYS  24          HZ1       LYS  24  -3.473  -2.722   9.818
  216   2HZ   LYS  24          HZ2       LYS  24  -4.011  -4.225   9.245
  217   3HZ   LYS  24          HZ3       LYS  24  -5.133  -2.998   9.578
  218    H    SER  25           HN       SER  25  -7.589  -0.086   4.604
  219    HA   SER  25           HA       SER  25  -6.991   2.730   4.042
  220   1HB   SER  25          HB2       SER  25  -8.816   1.657   2.707
  221   2HB   SER  25          HB1       SER  25  -9.713   1.435   4.209
  222    HG   SER  25           HG       SER  25  -8.806   3.936   3.208
  223    H    ASN  26           HN       ASN  26  -7.858   4.335   5.411
  224    HA   ASN  26           HA       ASN  26  -7.634   3.661   8.196
  225   1HB   ASN  26          HB2       ASN  26  -7.958   6.093   8.563
  226   2HB   ASN  26          HB1       ASN  26  -6.675   5.746   7.412
  227   1HD2  ASN  26          HD21      ASN  26  -8.236   8.180   7.773
  228   2HD2  ASN  26          HD22      ASN  26  -8.954   8.504   6.238
  229    H    LYS  27           HN       LYS  27 -10.235   4.344   5.963
  230    HA   LYS  27           HA       LYS  27 -12.139   4.095   8.193
  231   1HB   LYS  27          HB2       LYS  27 -12.230   5.936   5.806
  232   2HB   LYS  27          HB1       LYS  27 -13.651   5.587   6.784
  233   1HG   LYS  27          HG2       LYS  27 -12.627   6.524   8.730
  234   2HG   LYS  27          HG1       LYS  27 -11.087   6.706   7.891
  235   1HD   LYS  27          HD2       LYS  27 -13.610   8.088   7.002
  236   2HD   LYS  27          HD1       LYS  27 -12.478   8.806   8.151
  237   1HE   LYS  27          HE2       LYS  27 -10.683   8.563   6.454
  238   2HE   LYS  27          HE1       LYS  27 -11.888   7.974   5.311
  239   1HZ   LYS  27          HZ1       LYS  27 -11.892  10.650   6.597
  240   2HZ   LYS  27          HZ2       LYS  27 -13.043  10.087   5.487
  241   3HZ   LYS  27          HZ3       LYS  27 -11.438  10.325   4.998
  242    HA   PRO  28           HA       PRO  28 -13.915   0.648   6.194
  243   1HB   PRO  28          HB2       PRO  28 -16.605   1.628   6.900
  244   2HB   PRO  28          HB1       PRO  28 -15.768   0.166   7.426
  245   1HG   PRO  28          HG2       PRO  28 -16.149   2.225   9.090
  246   2HG   PRO  28          HG1       PRO  28 -14.667   1.248   9.142
  247   1HD   PRO  28          HD2       PRO  28 -15.115   3.950   7.925
  248   2HD   PRO  28          HD1       PRO  28 -13.736   3.355   8.875
  249    H    VAL  29           HN       VAL  29 -14.567   0.063   4.221
  250    HA   VAL  29           HA       VAL  29 -15.944   2.069   2.541
  251    HB   VAL  29           HB       VAL  29 -14.128   0.092   1.265
  252   1HG1  VAL  29          HG11      VAL  29 -13.706   1.966  -0.252
  253   2HG1  VAL  29          HG12      VAL  29 -14.713   3.002   0.760
  254   3HG1  VAL  29          HG13      VAL  29 -15.428   1.626  -0.081
  255   1HG2  VAL  29          HG21      VAL  29 -13.067   2.517   2.714
  256   2HG2  VAL  29          HG22      VAL  29 -12.147   1.499   1.606
  257   3HG2  VAL  29          HG23      VAL  29 -12.750   0.830   3.127
  258    H    GLU  30           HN       GLU  30 -17.431   1.195   0.990
  259    HA   GLU  30           HA       GLU  30 -18.580  -1.311   1.713
  260   1HB   GLU  30          HB2       GLU  30 -19.958  -1.004  -0.377
  261   2HB   GLU  30          HB1       GLU  30 -20.072   0.295   0.798
  262   1HG   GLU  30          HG2       GLU  30 -18.071   0.586  -1.361
  263   2HG   GLU  30          HG1       GLU  30 -19.773   0.724  -1.793
  264    H    ILE  31           HN       ILE  31 -18.613  -3.256   0.549
  265    HA   ILE  31           HA       ILE  31 -16.062  -4.061  -0.291
  266    HB   ILE  31           HB       ILE  31 -17.462  -5.682   0.709
  267   1HG1  ILE  31          HG12      ILE  31 -17.256  -6.364  -2.233
  268   2HG1  ILE  31          HG11      ILE  31 -15.968  -6.550  -1.048
  269   1HG2  ILE  31          HG21      ILE  31 -19.587  -6.427  -0.256
  270   2HG2  ILE  31          HG22      ILE  31 -19.442  -5.189  -1.504
  271   3HG2  ILE  31          HG23      ILE  31 -19.607  -4.720   0.190
  272   1HD1  ILE  31          HD11      ILE  31 -17.035  -8.670  -1.521
  273   2HD1  ILE  31          HD12      ILE  31 -18.599  -8.006  -1.044
  274   3HD1  ILE  31          HD13      ILE  31 -17.317  -8.190   0.152
  275    H    SER  32           HN       SER  32 -18.782  -2.863  -2.102
  276    HA   SER  32           HA       SER  32 -17.966  -3.747  -4.658
  277   1HB   SER  32          HB2       SER  32 -19.403  -1.630  -5.321
  278   2HB   SER  32          HB1       SER  32 -20.169  -3.062  -4.632
  279    HG   SER  32           HG       SER  32 -20.268  -0.606  -3.705
  280    H    LYS  33           HN       LYS  33 -16.969  -1.097  -2.628
  281    HA   LYS  33           HA       LYS  33 -15.488   0.161  -4.797
  282   1HB   LYS  33          HB2       LYS  33 -15.817   0.894  -1.888
  283   2HB   LYS  33          HB1       LYS  33 -14.796   1.789  -3.005
  284   1HG   LYS  33          HG2       LYS  33 -17.758   1.363  -3.344
  285   2HG   LYS  33          HG1       LYS  33 -17.010   2.814  -2.675
  286   1HD   LYS  33          HD2       LYS  33 -16.331   1.763  -5.408
  287   2HD   LYS  33          HD1       LYS  33 -17.665   2.887  -5.130
  288   1HE   LYS  33          HE2       LYS  33 -16.109   4.500  -4.162
  289   2HE   LYS  33          HE1       LYS  33 -14.777   3.370  -4.407
  290   1HZ   LYS  33          HZ1       LYS  33 -16.436   4.202  -6.695
  291   2HZ   LYS  33          HZ2       LYS  33 -14.822   3.665  -6.678
  292   3HZ   LYS  33          HZ3       LYS  33 -15.210   5.225  -6.129
  293    H    TRP  34           HN       TRP  34 -14.980  -2.061  -2.199
  294    HA   TRP  34           HA       TRP  34 -12.205  -1.919  -1.911
  295   1HB   TRP  34          HB2       TRP  34 -13.521  -3.350  -0.463
  296   2HB   TRP  34          HB1       TRP  34 -14.045  -4.326  -1.830
  297    HD1  TRP  34           HD1      TRP  34 -10.967  -3.688   0.381
  298    HE1  TRP  34           HE1      TRP  34  -9.350  -5.686   0.132
  299    HE3  TRP  34           HE3      TRP  34 -13.360  -6.206  -3.366
  300    HZ2  TRP  34           HZ2      TRP  34  -9.135  -8.014  -1.440
  301    HZ3  TRP  34           HZ3      TRP  34 -12.384  -8.308  -4.186
  302    HH2  TRP  34           HH2      TRP  34 -10.315  -9.193  -3.243
  303    H    ILE  35           HN       ILE  35 -14.193  -3.622  -4.278
  304    HA   ILE  35           HA       ILE  35 -12.062  -4.735  -5.778
  305    HB   ILE  35           HB       ILE  35 -14.825  -3.995  -6.769
  306   1HG1  ILE  35          HG12      ILE  35 -13.880  -6.608  -5.563
  307   2HG1  ILE  35          HG11      ILE  35 -14.884  -5.425  -4.730
  308   1HG2  ILE  35          HG21      ILE  35 -14.448  -5.789  -8.406
  309   2HG2  ILE  35          HG22      ILE  35 -12.820  -6.014  -7.768
  310   3HG2  ILE  35          HG23      ILE  35 -13.255  -4.497  -8.555
  311   1HD1  ILE  35          HD11      ILE  35 -16.637  -5.753  -6.407
  312   2HD1  ILE  35          HD12      ILE  35 -16.225  -7.252  -5.572
  313   3HD1  ILE  35          HD13      ILE  35 -15.632  -6.959  -7.207
  314    H    ASP  36           HN       ASP  36 -13.967  -1.775  -6.083
  315    HA   ASP  36           HA       ASP  36 -12.947  -0.853  -8.512
  316   1HB   ASP  36          HB2       ASP  36 -14.970   0.052  -7.459
  317   2HB   ASP  36          HB1       ASP  36 -13.996   0.752  -6.172
  318    H    PHE  37           HN       PHE  37 -11.854  -0.164  -5.189
  319    HA   PHE  37           HA       PHE  37  -9.770   1.586  -5.980
  320   1HB   PHE  37          HB2       PHE  37 -10.147  -0.009  -3.442
  321   2HB   PHE  37          HB1       PHE  37  -8.862   1.169  -3.675
  322    HD1  PHE  37           HD2      PHE  37 -10.961   2.918  -5.399
  323    HD2  PHE  37           HD1      PHE  37 -10.822   1.302  -1.464
  324    HE1  PHE  37           HE2      PHE  37 -12.459   4.704  -4.614
  325    HE2  PHE  37           HE1      PHE  37 -12.316   3.086  -0.674
  326    HZ   PHE  37           HZ       PHE  37 -13.135   4.791  -2.248
  327    H    SER  38           HN       SER  38  -9.906  -1.901  -5.419
  328    HA   SER  38           HA       SER  38  -7.138  -2.391  -5.653
  329   1HB   SER  38          HB2       SER  38  -9.476  -4.210  -6.280
  330   2HB   SER  38          HB1       SER  38  -7.800  -4.735  -6.124
  331    HG   SER  38           HG       SER  38  -9.600  -3.869  -4.155
  332    H    ASN  39           HN       ASN  39  -9.718  -2.063  -8.017
  333    HA   ASN  39           HA       ASN  39  -8.286  -2.837 -10.312
  334   1HB   ASN  39          HB2       ASN  39 -10.549  -0.866  -9.955
  335   2HB   ASN  39          HB1       ASN  39  -9.903  -1.310 -11.530
  336   1HD2  ASN  39          HD21      ASN  39 -12.568  -1.686 -10.410
  337   2HD2  ASN  39          HD22      ASN  39 -12.886  -3.386 -10.497
  338    H    VAL  40           HN       VAL  40  -8.546   0.248  -8.622
  339    HA   VAL  40           HA       VAL  40  -7.025   1.785 -10.441
  340    HB   VAL  40           HB       VAL  40  -7.324   2.198  -7.456
  341   1HG1  VAL  40          HG11      VAL  40  -6.856   4.548  -7.960
  342   2HG1  VAL  40          HG12      VAL  40  -6.589   4.130  -9.652
  343   3HG1  VAL  40          HG13      VAL  40  -5.504   3.508  -8.408
  344   1HG2  VAL  40          HG21      VAL  40  -9.154   3.721  -8.054
  345   2HG2  VAL  40          HG22      VAL  40  -9.496   2.060  -8.535
  346   3HG2  VAL  40          HG23      VAL  40  -8.989   3.241  -9.742
  347    H    LEU  41           HN       LEU  41  -6.161  -0.040  -7.530
  348    HA   LEU  41           HA       LEU  41  -3.431   0.663  -7.498
  349   1HB   LEU  41          HB2       LEU  41  -4.782  -1.809  -6.419
  350   2HB   LEU  41          HB1       LEU  41  -3.150  -1.299  -6.031
  351    HG   LEU  41           HG       LEU  41  -5.683   0.193  -5.335
  352   1HD1  LEU  41          HD11      LEU  41  -5.347  -1.823  -4.009
  353   2HD1  LEU  41          HD12      LEU  41  -5.094  -0.374  -3.036
  354   3HD1  LEU  41          HD13      LEU  41  -3.709  -1.300  -3.614
  355   1HD2  LEU  41          HD21      LEU  41  -3.845   1.732  -5.790
  356   2HD2  LEU  41          HD22      LEU  41  -2.802   0.829  -4.692
  357   3HD2  LEU  41          HD23      LEU  41  -4.212   1.685  -4.064
  358    H    SER  42           HN       SER  42  -5.193  -1.558  -9.448
  359    HA   SER  42           HA       SER  42  -3.008  -3.273 -10.099
  360   1HB   SER  42          HB2       SER  42  -5.638  -2.813 -11.527
  361   2HB   SER  42          HB1       SER  42  -4.505  -4.119 -11.879
  362    HG   SER  42           HG       SER  42  -5.829  -3.663  -9.399
  363    H    ARG  43           HN       ARG  43  -3.843  -0.112 -11.059
  364    HA   ARG  43           HA       ARG  43  -2.025  -0.314 -13.377
  365   1HB   ARG  43          HB2       ARG  43  -3.088   1.524 -14.376
  366   2HB   ARG  43          HB1       ARG  43  -4.428   0.633 -13.669
  367   1HG   ARG  43          HG2       ARG  43  -4.571   2.159 -11.837
  368   2HG   ARG  43          HG1       ARG  43  -3.082   2.964 -12.327
  369   1HD   ARG  43          HD2       ARG  43  -4.346   3.446 -14.531
  370   2HD   ARG  43          HD1       ARG  43  -5.795   3.075 -13.593
  371    HE   ARG  43           HE       ARG  43  -3.932   5.047 -12.502
  372   1HH1  ARG  43          HH11      ARG  43  -7.001   4.436 -14.108
  373   2HH1  ARG  43          HH12      ARG  43  -7.627   6.021 -13.744
  374   1HH2  ARG  43          HH21      ARG  43  -4.746   7.094 -12.059
  375   2HH2  ARG  43          HH22      ARG  43  -6.348   7.538 -12.589
  376    H    LEU  44           HN       LEU  44  -1.912   0.260 -10.241
  377    HA   LEU  44           HA       LEU  44  -0.420   2.788 -10.379
  378   1HB   LEU  44          HB2       LEU  44  -2.572   2.632  -9.034
  379   2HB   LEU  44          HB1       LEU  44  -1.709   1.573  -7.939
  380    HG   LEU  44           HG       LEU  44  -0.622   4.308  -8.509
  381   1HD1  LEU  44          HD11      LEU  44  -2.965   4.665  -7.964
  382   2HD1  LEU  44          HD12      LEU  44  -1.934   5.171  -6.626
  383   3HD1  LEU  44          HD13      LEU  44  -2.806   3.640  -6.539
  384   1HD2  LEU  44          HD21      LEU  44   0.746   2.742  -7.230
  385   2HD2  LEU  44          HD22      LEU  44  -0.580   2.503  -6.092
  386   3HD2  LEU  44          HD23      LEU  44   0.202   4.078  -6.214
  387    H    TYR  45           HN       TYR  45   1.638   2.853  -9.762
  388    HA   TYR  45           HA       TYR  45   2.770   0.461  -8.473
  389   1HB   TYR  45          HB2       TYR  45   3.831   2.167 -10.702
  390   2HB   TYR  45          HB1       TYR  45   4.947   1.312  -9.642
  391    HD1  TYR  45           HD2      TYR  45   2.335   0.923 -12.203
  392    HD2  TYR  45           HD1      TYR  45   5.169  -1.070  -9.736
  393    HE1  TYR  45           HE2      TYR  45   2.066  -1.119 -13.551
  394    HE2  TYR  45           HE1      TYR  45   4.912  -3.112 -11.074
  395    HH   TYR  45           HH       TYR  45   3.357  -3.159 -14.082
  396    H    VAL  46           HN       VAL  46   3.125   0.959  -6.423
  397    HA   VAL  46           HA       VAL  46   3.884   3.605  -5.560
  398    HB   VAL  46           HB       VAL  46   3.996   1.011  -4.003
  399   1HG1  VAL  46          HG11      VAL  46   5.293   2.812  -3.001
  400   2HG1  VAL  46          HG12      VAL  46   3.866   2.450  -2.030
  401   3HG1  VAL  46          HG13      VAL  46   3.888   3.876  -3.069
  402   1HG2  VAL  46          HG21      VAL  46   1.743   1.356  -4.823
  403   2HG2  VAL  46          HG22      VAL  46   1.751   3.011  -4.213
  404   3HG2  VAL  46          HG23      VAL  46   1.809   1.654  -3.086
  405    H    GLY  47           HN       GLY  47   5.955   4.361  -5.455
  406   1HA   GLY  47          HA2       GLY  47   8.087   2.347  -5.811
  407   2HA   GLY  47          HA1       GLY  47   8.137   3.946  -6.537
  408    H    VAL  48           HN       VAL  48   7.076   3.287  -3.266
  409    HA   VAL  48           HA       VAL  48   9.504   4.623  -2.265
  410    HB   VAL  48           HB       VAL  48   6.708   5.112  -1.220
  411   1HG1  VAL  48          HG11      VAL  48   7.764   6.889   0.093
  412   2HG1  VAL  48          HG12      VAL  48   9.344   6.409  -0.529
  413   3HG1  VAL  48          HG13      VAL  48   8.423   5.303   0.492
  414   1HG2  VAL  48          HG21      VAL  48   6.928   7.368  -2.164
  415   2HG2  VAL  48          HG22      VAL  48   6.973   6.129  -3.417
  416   3HG2  VAL  48          HG23      VAL  48   8.466   6.906  -2.894
  417    HA   PRO  49           HA       PRO  49   9.289   1.058   0.530
  418   1HB   PRO  49          HB2       PRO  49  12.046   1.770   1.137
  419   2HB   PRO  49          HB1       PRO  49  11.422   0.291   0.403
  420   1HG   PRO  49          HG2       PRO  49  12.909   2.107  -0.964
  421   2HG   PRO  49          HG1       PRO  49  11.679   1.085  -1.731
  422   1HD   PRO  49          HD2       PRO  49  11.500   3.949  -0.880
  423   2HD   PRO  49          HD1       PRO  49  10.893   3.174  -2.357
  424    H    THR  50           HN       THR  50   8.062   1.840   2.185
  425    HA   THR  50           HA       THR  50   9.258   3.898   3.918
  426    HB   THR  50           HB       THR  50   6.429   4.026   4.080
  427    HG1  THR  50           HG1      THR  50   5.814   3.748   2.077
  428   1HG2  THR  50          HG21      THR  50   8.418   5.924   2.823
  429   2HG2  THR  50          HG22      THR  50   7.998   5.863   4.535
  430   3HG2  THR  50          HG23      THR  50   6.784   6.335   3.346
  431    H    LYS  51           HN       LYS  51   7.750   4.081   5.972
  432    HA   LYS  51           HA       LYS  51   7.777   1.481   7.256
  433   1HB   LYS  51          HB2       LYS  51   7.434   2.712   9.321
  434   2HB   LYS  51          HB1       LYS  51   8.724   3.466   8.396
  435   1HG   LYS  51          HG2       LYS  51   7.142   5.174   7.610
  436   2HG   LYS  51          HG1       LYS  51   5.877   4.430   8.590
  437   1HD   LYS  51          HD2       LYS  51   7.275   4.819  10.599
  438   2HD   LYS  51          HD1       LYS  51   8.443   5.664   9.584
  439   1HE   LYS  51          HE2       LYS  51   7.026   7.274  10.685
  440   2HE   LYS  51          HE1       LYS  51   6.682   7.276   8.958
  441   1HZ   LYS  51          HZ1       LYS  51   5.069   5.654  10.834
  442   2HZ   LYS  51          HZ2       LYS  51   4.656   6.211   9.284
  443   3HZ   LYS  51          HZ3       LYS  51   4.731   7.292  10.580
  444    H    SER  52           HN       SER  52   5.813   1.422   9.022
  445    HA   SER  52           HA       SER  52   3.528   0.891   7.391
  446   1HB   SER  52          HB2       SER  52   2.553   0.386   9.782
  447   2HB   SER  52          HB1       SER  52   3.755  -0.688   9.063
  448    HG   SER  52           HG       SER  52   3.957   0.365  11.366
  449    H    GLY  53           HN       GLY  53   1.605   1.927   7.294
  450   1HA   GLY  53          HA2       GLY  53  -0.028   3.510   7.833
  451   2HA   GLY  53          HA1       GLY  53   1.059   4.188   9.039
  452    H    ASN  54           HN       ASN  54   1.988   3.561   5.718
  453    HA   ASN  54           HA       ASN  54   2.419   6.452   5.405
  454   1HB   ASN  54          HB2       ASN  54   3.912   5.947   3.574
  455   2HB   ASN  54          HB1       ASN  54   4.346   4.945   4.950
  456   1HD2  ASN  54          HD21      ASN  54   4.146   2.742   4.814
  457   2HD2  ASN  54          HD22      ASN  54   3.785   1.923   3.331
  458    H    VAL  55           HN       VAL  55   1.233   7.676   4.084
  459    HA   VAL  55           HA       VAL  55  -1.070   6.455   2.834
  460    HB   VAL  55           HB       VAL  55  -0.266   9.375   2.884
  461   1HG1  VAL  55          HG11      VAL  55  -2.622   9.808   2.375
  462   2HG1  VAL  55          HG12      VAL  55  -2.915   8.071   2.266
  463   3HG1  VAL  55          HG13      VAL  55  -1.847   8.859   1.106
  464   1HG2  VAL  55          HG21      VAL  55  -2.121   7.856   4.708
  465   2HG2  VAL  55          HG22      VAL  55  -1.901   9.605   4.699
  466   3HG2  VAL  55          HG23      VAL  55  -0.560   8.550   5.144
  467    H    VAL  56           HN       VAL  56  -1.071   5.764   0.807
  468    HA   VAL  56           HA       VAL  56   0.964   6.597  -1.082
  469    HB   VAL  56           HB       VAL  56  -1.453   4.844  -1.577
  470   1HG1  VAL  56          HG11      VAL  56  -0.462   5.718  -3.613
  471   2HG1  VAL  56          HG12      VAL  56  -0.138   3.990  -3.467
  472   3HG1  VAL  56          HG13      VAL  56   1.130   5.160  -3.101
  473   1HG2  VAL  56          HG21      VAL  56   1.340   4.062  -0.763
  474   2HG2  VAL  56          HG22      VAL  56   0.076   2.944  -1.272
  475   3HG2  VAL  56          HG23      VAL  56  -0.124   3.888   0.204
  476    H    CYS  57           HN       CYS  57  -2.582   6.523  -1.133
  477    HA   CYS  57           HA       CYS  57  -2.560   9.073  -2.578
  478   1HB   CYS  57          HB2       CYS  57  -4.310   6.681  -3.196
  479   2HB   CYS  57          HB1       CYS  57  -4.441   8.262  -3.961
  480    HG   CYS  57           HG       CYS  57  -1.382   7.539  -4.420
  481    H    LYS  58           HN       LYS  58  -3.633  10.548  -1.452
  482    HA   LYS  58           HA       LYS  58  -5.672   9.705   0.460
  483   1HB   LYS  58          HB2       LYS  58  -3.945  11.434   1.066
  484   2HB   LYS  58          HB1       LYS  58  -4.679  12.502  -0.125
  485   1HG   LYS  58          HG2       LYS  58  -6.730  12.566   1.097
  486   2HG   LYS  58          HG1       LYS  58  -6.155  11.330   2.216
  487   1HD   LYS  58          HD2       LYS  58  -4.298  12.941   2.825
  488   2HD   LYS  58          HD1       LYS  58  -5.194  14.167   1.922
  489   1HE   LYS  58          HE2       LYS  58  -7.117  13.866   3.364
  490   2HE   LYS  58          HE1       LYS  58  -6.299  12.563   4.224
  491   1HZ   LYS  58          HZ1       LYS  58  -6.059  14.450   5.553
  492   2HZ   LYS  58          HZ2       LYS  58  -5.662  15.451   4.242
  493   3HZ   LYS  58          HZ3       LYS  58  -4.557  14.283   4.781
  494    H    ASN  59           HN       ASN  59  -7.819  10.085   0.198
  495    HA   ASN  59           HA       ASN  59  -9.793  10.444  -0.859
  496   1HB   ASN  59          HB2       ASN  59  -8.196  12.650  -2.166
  497   2HB   ASN  59          HB1       ASN  59  -9.886  12.359  -2.559
  498   1HD2  ASN  59          HD21      ASN  59 -10.542  14.333  -1.799
  499   2HD2  ASN  59          HD22      ASN  59 -10.598  14.713  -0.115
  500    H    ILE  60           HN       ILE  60  -8.749   8.243  -1.705
  501    HA   ILE  60           HA       ILE  60  -7.975   8.207  -4.451
  502    HB   ILE  60           HB       ILE  60  -7.226   6.432  -2.982
  503   1HG1  ILE  60          HG12      ILE  60  -9.118   5.337  -5.075
  504   2HG1  ILE  60          HG11      ILE  60  -7.500   5.947  -5.397
  505   1HG2  ILE  60          HG21      ILE  60  -8.760   4.719  -2.131
  506   2HG2  ILE  60          HG22      ILE  60 -10.125   5.649  -2.747
  507   3HG2  ILE  60          HG23      ILE  60  -9.109   6.316  -1.470
  508   1HD1  ILE  60          HD11      ILE  60  -8.182   3.564  -3.689
  509   2HD1  ILE  60          HD12      ILE  60  -6.558   4.173  -4.007
  510   3HD1  ILE  60          HD13      ILE  60  -7.529   3.522  -5.327
  511    H    MET  61           HN       MET  61  -9.163   8.201  -6.224
  512    HA   MET  61           HA       MET  61 -10.954   8.344  -7.614
  513   1HB   MET  61          HB2       MET  61 -12.271   6.555  -5.555
  514   2HB   MET  61          HB1       MET  61 -12.978   6.965  -7.111
  515   1HG   MET  61          HG2       MET  61 -10.392   5.485  -6.694
  516   2HG   MET  61          HG1       MET  61 -11.939   4.757  -7.118
  517   1HE   MET  61          HE1       MET  61 -12.560   6.132 -10.717
  518   2HE   MET  61          HE2       MET  61 -13.161   6.791  -9.196
  519   3HE   MET  61          HE3       MET  61 -13.130   5.046  -9.451
  520    H    ASN  62           HN       ASN  62 -10.461  10.149  -5.354
  521    HA   ASN  62           HA       ASN  62 -11.340  11.848  -4.149
  522   1HB   ASN  62          HB2       ASN  62 -11.794  12.641  -6.476
  523   2HB   ASN  62          HB1       ASN  62 -13.419  11.970  -6.344
  524   1HD2  ASN  62          HD21      ASN  62 -14.358  14.021  -6.601
  525   2HD2  ASN  62          HD22      ASN  62 -14.324  15.198  -5.331
  526    H    THR  63           HN       THR  63 -11.891  10.082  -2.640
  527    HA   THR  63           HA       THR  63 -14.788   9.957  -2.164
  528    HB   THR  63           HB       THR  63 -14.092   7.993  -0.645
  529    HG1  THR  63           HG1      THR  63 -11.924   7.551  -2.316
  530   1HG2  THR  63          HG21      THR  63 -14.105   6.419  -2.526
  531   2HG2  THR  63          HG22      THR  63 -13.776   7.745  -3.640
  532   3HG2  THR  63          HG23      THR  63 -15.302   7.694  -2.755
  533    H    GLY  64           HN       GLY  64 -11.648  10.654  -0.787
  534   1HA   GLY  64          HA2       GLY  64 -11.381  12.271   0.969
  535   2HA   GLY  64          HA1       GLY  64 -12.969  11.811   1.573
  536    H    VAL  65           HN       VAL  65 -11.187   9.144   0.587
  537    HA   VAL  65           HA       VAL  65 -10.647   8.452   3.393
  538    HB   VAL  65           HB       VAL  65 -12.170   7.083   1.768
  539   1HG1  VAL  65          HG11      VAL  65 -10.988   5.274   0.600
  540   2HG1  VAL  65          HG12      VAL  65  -9.460   6.084   0.948
  541   3HG1  VAL  65          HG13      VAL  65 -10.662   6.868  -0.078
  542   1HG2  VAL  65          HG21      VAL  65 -10.093   5.759   3.496
  543   2HG2  VAL  65          HG22      VAL  65 -11.585   5.005   2.932
  544   3HG2  VAL  65          HG23      VAL  65 -11.654   6.388   4.023
  545    H    ASP  66           HN       ASP  66  -8.680   7.234   3.864
  546    HA   ASP  66           HA       ASP  66  -6.469   8.018   2.084
  547   1HB   ASP  66          HB2       ASP  66  -6.437   7.435   5.059
  548   2HB   ASP  66          HB1       ASP  66  -5.012   7.796   4.091
  549    H    ILE  67           HN       ILE  67  -5.119   6.486   1.299
  550    HA   ILE  67           HA       ILE  67  -5.552   3.709   2.194
  551    HB   ILE  67           HB       ILE  67  -4.386   4.658  -0.435
  552   1HG1  ILE  67          HG12      ILE  67  -6.783   5.118  -0.324
  553   2HG1  ILE  67          HG11      ILE  67  -6.467   3.797  -1.442
  554   1HG2  ILE  67          HG21      ILE  67  -4.534   2.303  -1.106
  555   2HG2  ILE  67          HG22      ILE  67  -5.085   1.881   0.516
  556   3HG2  ILE  67          HG23      ILE  67  -3.460   2.524   0.276
  557   1HD1  ILE  67          HD11      ILE  67  -7.148   2.193   0.264
  558   2HD1  ILE  67          HD12      ILE  67  -8.427   3.356  -0.090
  559   3HD1  ILE  67          HD13      ILE  67  -7.467   3.521   1.380
  560    H    ILE  68           HN       ILE  68  -3.972   2.902   3.411
  561    HA   ILE  68           HA       ILE  68  -1.289   4.100   3.165
  562    HB   ILE  68           HB       ILE  68  -1.008   3.831   5.604
  563   1HG1  ILE  68          HG12      ILE  68  -3.972   3.211   5.599
  564   2HG1  ILE  68          HG11      ILE  68  -2.690   2.054   5.946
  565   1HG2  ILE  68          HG21      ILE  68  -1.648   5.988   4.703
  566   2HG2  ILE  68          HG22      ILE  68  -2.415   5.727   6.269
  567   3HG2  ILE  68          HG23      ILE  68  -3.351   5.540   4.787
  568   1HD1  ILE  68          HD11      ILE  68  -3.726   2.841   7.988
  569   2HD1  ILE  68          HD12      ILE  68  -3.348   4.508   7.557
  570   3HD1  ILE  68          HD13      ILE  68  -2.046   3.371   7.904
  571    H    CYS  69           HN       CYS  69   0.403   2.738   3.066
  572    HA   CYS  69           HA       CYS  69  -0.074  -0.122   3.131
  573   1HB   CYS  69          HB2       CYS  69   2.676   1.066   3.045
  574   2HB   CYS  69          HB1       CYS  69   2.063  -0.381   2.253
  575    HG   CYS  69           HG       CYS  69   2.224   2.750   1.139
  576    H    THR  70           HN       THR  70   0.445  -1.482   4.806
  577    HA   THR  70           HA       THR  70   1.409  -0.115   7.233
  578    HB   THR  70           HB       THR  70  -0.900  -0.998   7.379
  579    HG1  THR  70           HG1      THR  70   1.009  -2.366   9.009
  580   1HG2  THR  70          HG21      THR  70  -1.299  -3.416   7.424
  581   2HG2  THR  70          HG22      THR  70   0.386  -3.701   6.987
  582   3HG2  THR  70          HG23      THR  70  -0.695  -2.891   5.851
  583    H    LYS  71           HN       LYS  71   2.583  -2.009   4.889
  584    HA   LYS  71           HA       LYS  71   4.206  -3.682   6.653
  585   1HB   LYS  71          HB2       LYS  71   3.280  -4.787   4.691
  586   2HB   LYS  71          HB1       LYS  71   3.994  -3.576   3.641
  587   1HG   LYS  71          HG2       LYS  71   5.270  -5.627   3.567
  588   2HG   LYS  71          HG1       LYS  71   6.229  -4.333   4.292
  589   1HD   LYS  71          HD2       LYS  71   5.622  -5.204   6.533
  590   2HD   LYS  71          HD1       LYS  71   4.781  -6.544   5.749
  591   1HE   LYS  71          HE2       LYS  71   6.866  -7.267   4.717
  592   2HE   LYS  71          HE1       LYS  71   7.714  -5.904   5.449
  593   1HZ   LYS  71          HZ1       LYS  71   7.135  -6.811   7.639
  594   2HZ   LYS  71          HZ2       LYS  71   8.083  -7.886   6.734
  595   3HZ   LYS  71          HZ3       LYS  71   6.415  -8.153   6.893
  596    H    ASN  72           HN       ASN  72   6.421  -3.428   6.827
  597    HA   ASN  72           HA       ASN  72   7.415  -0.789   6.096
  598   1HB   ASN  72          HB2       ASN  72   8.824  -2.930   7.709
  599   2HB   ASN  72          HB1       ASN  72   9.244  -1.225   7.614
  600   1HD2  ASN  72          HD21      ASN  72   6.344  -0.521   7.716
  601   2HD2  ASN  72          HD22      ASN  72   5.898  -0.690   9.379
  602    H    LEU  73           HN       LEU  73   8.595  -0.487   4.297
  603    HA   LEU  73           HA       LEU  73   9.663  -2.883   2.973
  604   1HB   LEU  73          HB2       LEU  73   9.213  -0.090   1.927
  605   2HB   LEU  73          HB1       LEU  73   9.961  -1.372   1.001
  606    HG   LEU  73           HG       LEU  73   7.765  -1.303   0.231
  607   1HD1  LEU  73          HD11      LEU  73   8.474  -3.569   0.709
  608   2HD1  LEU  73          HD12      LEU  73   6.737  -3.394   0.964
  609   3HD1  LEU  73          HD13      LEU  73   7.832  -3.445   2.346
  610   1HD2  LEU  73          HD21      LEU  73   6.821   0.157   1.911
  611   2HD2  LEU  73          HD22      LEU  73   6.837  -1.153   3.092
  612   3HD2  LEU  73          HD23      LEU  73   5.789  -1.253   1.676
  613    HA   PRO  74           HA       PRO  74  13.698  -1.340   4.207
  614   1HB   PRO  74          HB2       PRO  74  14.815  -3.899   3.920
  615   2HB   PRO  74          HB1       PRO  74  14.218  -3.184   5.416
  616   1HG   PRO  74          HG2       PRO  74  13.124  -5.393   4.043
  617   2HG   PRO  74          HG1       PRO  74  12.399  -4.526   5.406
  618   1HD   PRO  74          HD2       PRO  74  11.833  -4.301   2.497
  619   2HD   PRO  74          HD1       PRO  74  10.758  -4.033   3.884
  620    H    LYS  75           HN       LYS  75  14.145  -0.152   2.355
  621    HA   LYS  75           HA       LYS  75  14.621  -1.320  -0.187
  622   1HB   LYS  75          HB2       LYS  75  13.920   1.010   0.033
  623   2HB   LYS  75          HB1       LYS  75  15.410   1.387   0.888
  624   1HG   LYS  75          HG2       LYS  75  16.647   0.657  -1.172
  625   2HG   LYS  75          HG1       LYS  75  15.086   0.602  -1.989
  626   1HD   LYS  75          HD2       LYS  75  14.742   2.940  -1.641
  627   2HD   LYS  75          HD1       LYS  75  16.155   3.042  -0.585
  628   1HE   LYS  75          HE2       LYS  75  16.129   2.455  -3.540
  629   2HE   LYS  75          HE1       LYS  75  16.724   3.917  -2.752
  630   1HZ   LYS  75          HZ1       LYS  75  17.899   1.193  -2.636
  631   2HZ   LYS  75          HZ2       LYS  75  18.357   2.427  -1.572
  632   3HZ   LYS  75          HZ3       LYS  75  18.610   2.610  -3.244
  633    H    ASP  76           HN       ASP  76  16.796   0.230   2.097
  634    HA   ASP  76           HA       ASP  76  19.028  -1.303   0.948
  635   1HB   ASP  76          HB2       ASP  76  19.003   1.293   2.503
  636   2HB   ASP  76          HB1       ASP  76  20.475   0.401   2.139
  637    H    SER  77           HN       SER  77  19.532  -3.042   2.063
  638    HA   SER  77           HA       SER  77  18.731  -3.265   4.843
  639   1HB   SER  77          HB2       SER  77  20.082  -5.271   3.020
  640   2HB   SER  77          HB1       SER  77  19.468  -5.609   4.639
  641    HG   SER  77           HG       SER  77  17.756  -4.488   2.712
  642    H    LEU  78           HN       LEU  78  20.171  -1.626   5.636
  643    HA   LEU  78           HA       LEU  78  22.993  -2.415   5.727
  644   1HB   LEU  78          HB2       LEU  78  21.675   0.183   6.524
  645   2HB   LEU  78          HB1       LEU  78  23.396  -0.142   6.604
  646    HG   LEU  78           HG       LEU  78  21.744  -0.055   4.078
  647   1HD1  LEU  78          HD11      LEU  78  22.985   2.000   3.609
  648   2HD1  LEU  78          HD12      LEU  78  23.767   1.889   5.187
  649   3HD1  LEU  78          HD13      LEU  78  22.025   2.145   5.081
  650   1HD2  LEU  78          HD21      LEU  78  24.717  -0.386   4.479
  651   2HD2  LEU  78          HD22      LEU  78  23.902  -0.186   2.928
  652   3HD2  LEU  78          HD23      LEU  78  23.601  -1.624   3.903
  653    H    GLU  79           HN       GLU  79  22.789  -4.079   7.225
  654    HA   GLU  79           HA       GLU  79  21.983  -3.284   9.935
  655   1HB   GLU  79          HB2       GLU  79  20.940  -5.333   9.021
  656   2HB   GLU  79          HB1       GLU  79  22.533  -6.042   8.812
  657   1HG   GLU  79          HG2       GLU  79  22.123  -5.131  11.523
  658   2HG   GLU  79          HG1       GLU  79  20.880  -6.275  11.022
  659    H    HIS  80           HN       HIS  80  23.537  -2.694  11.278
  660    HA   HIS  80           HA       HIS  80  26.291  -3.540  10.653
  661   1HB   HIS  80          HB2       HIS  80  25.655  -1.076  10.463
  662   2HB   HIS  80          HB1       HIS  80  25.507  -1.079  12.216
  663    HD1  HIS  80           HD1      HIS  80  27.491   0.167  13.028
  664    HD2  HIS  80           HD2      HIS  80  28.470  -2.559  10.039
  665    HE1  HIS  80           HE1      HIS  80  30.001   0.247  12.824
  666    HE2  HIS  80           HE2      HIS  80  30.551  -1.286  10.900
  667    H    HIS  81           HN       HIS  81  24.779  -5.289  12.110
  668    HA   HIS  81           HA       HIS  81  25.740  -4.956  14.866
  669   1HB   HIS  81          HB2       HIS  81  23.398  -5.618  14.678
  670   2HB   HIS  81          HB1       HIS  81  23.838  -6.982  13.657
  671    HD1  HIS  81           HD1      HIS  81  24.010  -9.137  14.841
  672    HD2  HIS  81           HD2      HIS  81  24.657  -5.908  17.385
  673    HE1  HIS  81           HE1      HIS  81  24.295 -10.127  17.144
  674    HE2  HIS  81           HE2      HIS  81  24.821  -8.164  18.643
  675    H    HIS  82           HN       HIS  82  25.858  -7.125  12.079
  676    HA   HIS  82           HA       HIS  82  28.221  -8.428  13.248
  677   1HB   HIS  82          HB2       HIS  82  27.994 -10.123  11.500
  678   2HB   HIS  82          HB1       HIS  82  26.482  -9.952  12.379
  679    HD1  HIS  82           HD1      HIS  82  28.017  -8.716   9.112
  680    HD2  HIS  82           HD2      HIS  82  24.331  -9.663  10.772
  681    HE1  HIS  82           HE1      HIS  82  26.366  -8.529   7.233
  682    HE2  HIS  82           HE2      HIS  82  24.123  -8.893   8.311
  683    H    HIS  83           HN       HIS  83  30.209  -8.466  12.123
  684    HA   HIS  83           HA       HIS  83  30.639  -6.269  10.316
  685   1HB   HIS  83          HB2       HIS  83  32.344  -7.029  12.000
  686   2HB   HIS  83          HB1       HIS  83  32.572  -8.485  11.041
  687    HD1  HIS  83           HD1      HIS  83  33.597  -4.953  11.289
  688    HD2  HIS  83           HD2      HIS  83  33.844  -8.022   8.494
  689    HE1  HIS  83           HE1      HIS  83  35.314  -4.208   9.615
  690    HE2  HIS  83           HE2      HIS  83  35.599  -6.168   8.058
  691    H    HIS  84           HN       HIS  84  32.065  -9.414   9.684
  692    HA   HIS  84           HA       HIS  84  30.464 -10.335   7.609
  693   1HB   HIS  84          HB2       HIS  84  30.977  -8.219   6.468
  694   2HB   HIS  84          HB1       HIS  84  32.699  -8.516   6.661
  695    HD1  HIS  84           HD1      HIS  84  33.755  -9.338   4.607
  696    HD2  HIS  84           HD2      HIS  84  29.776 -10.518   4.861
  697    HE1  HIS  84           HE1      HIS  84  33.296 -10.630   2.498
  698    HE2  HIS  84           HE2      HIS  84  30.915 -11.433   2.726
  699    H    HIS  85           HN       HIS  85  31.261 -12.302   6.879
  700    HA   HIS  85           HA       HIS  85  33.762 -13.206   8.039
  701   1HB   HIS  85          HB2       HIS  85  31.676 -14.627   6.376
  702   2HB   HIS  85          HB1       HIS  85  33.163 -15.393   6.922
  703    HD1  HIS  85           HD1      HIS  85  30.141 -16.143   7.723
  704    HD2  HIS  85           HD2      HIS  85  32.937 -14.125  10.055
  705    HE1  HIS  85           HE1      HIS  85  29.423 -16.496  10.108
  706    HE2  HIS  85           HE2      HIS  85  31.195 -15.381  11.509
  Start of MODEL    2
    1   1H    MET   1          HT1       MET   1 -24.856  -0.959   4.146
    2   2H    MET   1          HT2       MET   1 -26.139  -1.813   3.440
    3   3H    MET   1          HT3       MET   1 -24.567  -2.455   3.399
    4    HA   MET   1           HA       MET   1 -26.227  -2.023   5.811
    5   1HB   MET   1          HB2       MET   1 -25.480  -4.475   4.238
    6   2HB   MET   1          HB1       MET   1 -25.931  -4.583   5.934
    7   1HG   MET   1          HG2       MET   1 -28.087  -3.536   5.401
    8   2HG   MET   1          HG1       MET   1 -27.630  -3.503   3.698
    9   1HE   MET   1          HE1       MET   1 -30.019  -4.748   3.338
   10   2HE   MET   1          HE2       MET   1 -30.284  -4.911   5.074
   11   3HE   MET   1          HE3       MET   1 -30.401  -6.326   4.028
   12    H    HIS   2           HN       HIS   2 -23.203  -3.507   4.582
   13    HA   HIS   2           HA       HIS   2 -21.994  -2.776   7.158
   14   1HB   HIS   2          HB2       HIS   2 -22.650  -5.265   6.974
   15   2HB   HIS   2          HB1       HIS   2 -21.327  -5.387   5.819
   16    HD1  HIS   2           HD1      HIS   2 -18.922  -5.367   6.754
   17    HD2  HIS   2           HD2      HIS   2 -21.868  -4.784   9.641
   18    HE1  HIS   2           HE1      HIS   2 -17.748  -5.519   8.971
   19    HE2  HIS   2           HE2      HIS   2 -19.512  -4.998  10.691
   20    H    LYS   3           HN       LYS   3 -20.207  -1.657   6.907
   21    HA   LYS   3           HA       LYS   3 -18.779  -1.829   4.351
   22   1HB   LYS   3          HB2       LYS   3 -18.734   0.295   6.500
   23   2HB   LYS   3          HB1       LYS   3 -17.717   0.310   5.066
   24   1HG   LYS   3          HG2       LYS   3 -19.719   0.406   3.657
   25   2HG   LYS   3          HG1       LYS   3 -20.722   0.421   5.108
   26   1HD   LYS   3          HD2       LYS   3 -19.742   2.520   5.808
   27   2HD   LYS   3          HD1       LYS   3 -18.637   2.494   4.431
   28   1HE   LYS   3          HE2       LYS   3 -20.560   2.581   2.911
   29   2HE   LYS   3          HE1       LYS   3 -21.641   2.654   4.302
   30   1HZ   LYS   3          HZ1       LYS   3 -19.539   4.662   3.690
   31   2HZ   LYS   3          HZ2       LYS   3 -20.674   4.737   4.950
   32   3HZ   LYS   3          HZ3       LYS   3 -21.191   4.845   3.337
   33    H    ASP   4           HN       ASP   4 -16.523  -2.124   4.347
   34    HA   ASP   4           HA       ASP   4 -15.377  -3.019   6.892
   35   1HB   ASP   4          HB2       ASP   4 -15.707  -4.621   4.396
   36   2HB   ASP   4          HB1       ASP   4 -14.273  -4.881   5.383
   37    H    ILE   5           HN       ILE   5 -13.181  -2.869   7.081
   38    HA   ILE   5           HA       ILE   5 -11.855  -0.828   5.693
   39    HB   ILE   5           HB       ILE   5 -10.706  -3.080   7.354
   40   1HG1  ILE   5          HG12      ILE   5 -12.275  -1.674   8.599
   41   2HG1  ILE   5          HG11      ILE   5 -10.628  -1.411   9.161
   42   1HG2  ILE   5          HG21      ILE   5  -9.431  -0.509   6.435
   43   2HG2  ILE   5          HG22      ILE   5  -8.989  -2.142   5.939
   44   3HG2  ILE   5          HG23      ILE   5  -8.731  -1.628   7.606
   45   1HD1  ILE   5          HD11      ILE   5 -11.846   0.677   9.017
   46   2HD1  ILE   5          HD12      ILE   5 -12.179   0.386   7.310
   47   3HD1  ILE   5          HD13      ILE   5 -10.522   0.654   7.852
   48    H    PHE   6           HN       PHE   6 -11.372  -0.932   3.597
   49    HA   PHE   6           HA       PHE   6 -10.957  -3.338   2.166
   50   1HB   PHE   6          HB2       PHE   6 -11.735  -1.206   1.135
   51   2HB   PHE   6          HB1       PHE   6 -10.129  -0.533   1.385
   52    HD1  PHE   6           HD1      PHE   6 -11.992  -3.191  -0.388
   53    HD2  PHE   6           HD2      PHE   6  -8.408  -0.908  -0.158
   54    HE1  PHE   6           HE1      PHE   6 -11.285  -4.086  -2.567
   55    HE2  PHE   6           HE2      PHE   6  -7.695  -1.802  -2.336
   56    HZ   PHE   6           HZ       PHE   6  -9.133  -3.392  -3.545
   57    H    THR   7           HN       THR   7  -9.303  -4.628   2.492
   58    HA   THR   7           HA       THR   7  -6.622  -3.457   2.837
   59    HB   THR   7           HB       THR   7  -7.529  -6.077   4.041
   60    HG1  THR   7           HG1      THR   7  -8.657  -4.213   4.931
   61   1HG2  THR   7          HG21      THR   7  -5.524  -5.816   5.429
   62   2HG2  THR   7          HG22      THR   7  -5.146  -4.306   4.600
   63   3HG2  THR   7          HG23      THR   7  -5.112  -5.829   3.712
   64    H    SER   8           HN       SER   8  -5.156  -4.116   1.370
   65    HA   SER   8           HA       SER   8  -5.383  -6.688   0.072
   66   1HB   SER   8          HB2       SER   8  -5.680  -4.139  -1.546
   67   2HB   SER   8          HB1       SER   8  -5.481  -5.757  -2.221
   68    HG   SER   8           HG       SER   8  -7.496  -5.653  -0.392
   69    H    VAL   9           HN       VAL   9  -3.589  -6.811  -1.695
   70    HA   VAL   9           HA       VAL   9  -1.200  -5.436  -0.643
   71    HB   VAL   9           HB       VAL   9  -1.309  -8.179  -1.915
   72   1HG1  VAL   9          HG11      VAL   9   1.011  -8.373  -1.199
   73   2HG1  VAL   9          HG12      VAL   9   0.955  -6.738  -0.542
   74   3HG1  VAL   9          HG13      VAL   9   0.801  -6.995  -2.280
   75   1HG2  VAL   9          HG21      VAL   9  -0.950  -7.429   0.987
   76   2HG2  VAL   9          HG22      VAL   9  -0.821  -9.058   0.320
   77   3HG2  VAL   9          HG23      VAL   9  -2.367  -8.210   0.284
   78    H    VAL  10           HN       VAL  10  -0.170  -4.176  -2.053
   79    HA   VAL  10           HA       VAL  10  -0.922  -4.414  -4.885
   80    HB   VAL  10           HB       VAL  10  -0.176  -2.082  -5.148
   81   1HG1  VAL  10          HG11      VAL  10  -2.016  -1.022  -3.926
   82   2HG1  VAL  10          HG12      VAL  10  -2.203  -2.480  -2.952
   83   3HG1  VAL  10          HG13      VAL  10  -2.518  -2.532  -4.687
   84   1HG2  VAL  10          HG21      VAL  10   0.311  -0.708  -3.185
   85   2HG2  VAL  10          HG22      VAL  10   1.491  -2.004  -3.376
   86   3HG2  VAL  10          HG23      VAL  10   0.222  -2.140  -2.159
   87    H    ARG  11           HN       ARG  11   0.745  -3.980  -6.483
   88    HA   ARG  11           HA       ARG  11   3.191  -5.363  -5.723
   89   1HB   ARG  11          HB2       ARG  11   2.356  -4.514  -8.498
   90   2HB   ARG  11          HB1       ARG  11   3.518  -5.759  -8.055
   91   1HG   ARG  11          HG2       ARG  11   1.662  -7.053  -7.034
   92   2HG   ARG  11          HG1       ARG  11   0.537  -5.842  -7.650
   93   1HD   ARG  11          HD2       ARG  11   0.474  -7.553  -9.233
   94   2HD   ARG  11          HD1       ARG  11   1.540  -6.345  -9.943
   95    HE   ARG  11           HE       ARG  11   3.423  -7.747  -9.243
   96   1HH1  ARG  11          HH11      ARG  11   0.239  -9.189  -9.362
   97   2HH1  ARG  11          HH12      ARG  11   0.830 -10.814  -9.534
   98   1HH2  ARG  11          HH21      ARG  11   4.219  -9.882  -9.510
   99   2HH2  ARG  11          HH22      ARG  11   3.095 -11.200  -9.630
  100    H    VAL  12           HN       VAL  12   4.959  -4.298  -5.258
  101    HA   VAL  12           HA       VAL  12   5.089  -1.427  -5.913
  102    HB   VAL  12           HB       VAL  12   6.591  -2.816  -3.700
  103   1HG1  VAL  12          HG11      VAL  12   6.682  -0.563  -2.738
  104   2HG1  VAL  12          HG12      VAL  12   5.846   0.069  -4.157
  105   3HG1  VAL  12          HG13      VAL  12   7.452  -0.646  -4.322
  106   1HG2  VAL  12          HG21      VAL  12   4.838  -2.000  -2.167
  107   2HG2  VAL  12          HG22      VAL  12   4.261  -3.234  -3.287
  108   3HG2  VAL  12          HG23      VAL  12   3.871  -1.536  -3.565
  109    H    ARG  13           HN       ARG  13   6.905  -0.583  -6.818
  110    HA   ARG  13           HA       ARG  13   8.901  -2.497  -7.781
  111   1HB   ARG  13          HB2       ARG  13   8.334   0.369  -8.590
  112   2HB   ARG  13          HB1       ARG  13   9.571  -0.656  -9.312
  113   1HG   ARG  13          HG2       ARG  13   7.827  -2.204 -10.075
  114   2HG   ARG  13          HG1       ARG  13   6.599  -1.146  -9.375
  115   1HD   ARG  13          HD2       ARG  13   7.255   0.649 -10.869
  116   2HD   ARG  13          HD1       ARG  13   8.558  -0.341 -11.524
  117    HE   ARG  13           HE       ARG  13   5.679  -0.861 -11.916
  118   1HH1  ARG  13          HH11      ARG  13   9.012  -1.187 -12.894
  119   2HH1  ARG  13          HH12      ARG  13   8.642  -1.939 -14.410
  120   1HH2  ARG  13          HH21      ARG  13   5.164  -1.808 -13.947
  121   2HH2  ARG  13          HH22      ARG  13   6.454  -2.282 -15.020
  122    H    GLY  14           HN       GLY  14  11.186  -1.944  -7.630
  123   1HA   GLY  14          HA2       GLY  14  12.763  -0.161  -6.847
  124   2HA   GLY  14          HA1       GLY  14  11.776  -0.105  -5.393
  125    H    SER  15           HN       SER  15  14.571  -0.608  -5.431
  126    HA   SER  15           HA       SER  15  14.990  -3.447  -5.129
  127   1HB   SER  15          HB2       SER  15  17.300  -2.585  -4.333
  128   2HB   SER  15          HB1       SER  15  16.851  -2.328  -6.018
  129    HG   SER  15           HG       SER  15  16.968  -0.473  -3.891
  130    H    LYS  16           HN       LYS  16  13.016  -2.735  -3.445
  131    HA   LYS  16           HA       LYS  16  14.185  -2.379  -0.789
  132   1HB   LYS  16          HB2       LYS  16  11.610  -2.232  -0.226
  133   2HB   LYS  16          HB1       LYS  16  12.475  -0.860  -0.898
  134   1HG   LYS  16          HG2       LYS  16  10.395  -1.034  -2.032
  135   2HG   LYS  16          HG1       LYS  16  11.656  -1.538  -3.155
  136   1HD   LYS  16          HD2       LYS  16  11.135  -3.864  -2.743
  137   2HD   LYS  16          HD1       LYS  16   9.925  -3.408  -1.542
  138   1HE   LYS  16          HE2       LYS  16   8.503  -3.613  -3.265
  139   2HE   LYS  16          HE1       LYS  16   9.079  -2.001  -3.692
  140   1HZ   LYS  16          HZ1       LYS  16  10.157  -4.564  -4.743
  141   2HZ   LYS  16          HZ2       LYS  16  10.720  -3.022  -5.158
  142   3HZ   LYS  16          HZ3       LYS  16   9.150  -3.498  -5.589
  143    H    LYS  17           HN       LYS  17  14.495  -4.836  -2.196
  144    HA   LYS  17           HA       LYS  17  14.572  -7.050  -1.760
  145   1HB   LYS  17          HB2       LYS  17  14.954  -6.531   0.557
  146   2HB   LYS  17          HB1       LYS  17  13.241  -6.252   0.828
  147   1HG   LYS  17          HG2       LYS  17  14.017  -8.399   1.732
  148   2HG   LYS  17          HG1       LYS  17  12.761  -8.592   0.510
  149   1HD   LYS  17          HD2       LYS  17  14.467  -9.138  -1.161
  150   2HD   LYS  17          HD1       LYS  17  15.728  -8.937   0.058
  151   1HE   LYS  17          HE2       LYS  17  14.892 -10.795   1.318
  152   2HE   LYS  17          HE1       LYS  17  13.467 -10.914   0.289
  153   1HZ   LYS  17          HZ1       LYS  17  14.923 -11.505  -1.567
  154   2HZ   LYS  17          HZ2       LYS  17  15.064 -12.603  -0.283
  155   3HZ   LYS  17          HZ3       LYS  17  16.278 -11.444  -0.541
  156    H    TYR  18           HN       TYR  18  11.390  -5.918  -0.615
  157    HA   TYR  18           HA       TYR  18  10.110  -8.272  -1.688
  158   1HB   TYR  18          HB2       TYR  18   8.979  -5.786  -0.393
  159   2HB   TYR  18          HB1       TYR  18   8.019  -7.182  -0.867
  160    HD1  TYR  18           HD1      TYR  18   8.248  -9.309   0.336
  161    HD2  TYR  18           HD2      TYR  18  10.340  -5.824   1.586
  162    HE1  TYR  18           HE1      TYR  18   8.670 -10.354   2.521
  163    HE2  TYR  18           HE2      TYR  18  10.773  -6.860   3.773
  164    HH   TYR  18           HH       TYR  18  10.287 -10.165   4.368
  165    H    ASN  19           HN       ASN  19   7.900  -7.699  -2.868
  166    HA   ASN  19           HA       ASN  19   8.222  -5.475  -4.737
  167   1HB   ASN  19          HB2       ASN  19   8.118  -8.364  -5.476
  168   2HB   ASN  19          HB1       ASN  19   7.273  -7.215  -6.510
  169   1HD2  ASN  19          HD21      ASN  19   9.686  -8.885  -6.941
  170   2HD2  ASN  19          HD22      ASN  19  10.910  -7.774  -7.458
  171    H    VAL  20           HN       VAL  20   6.478  -6.683  -2.432
  172    HA   VAL  20           HA       VAL  20   4.024  -5.507  -3.464
  173    HB   VAL  20           HB       VAL  20   2.634  -7.311  -2.421
  174   1HG1  VAL  20          HG11      VAL  20   2.847  -8.913  -4.261
  175   2HG1  VAL  20          HG12      VAL  20   4.389  -8.184  -4.710
  176   3HG1  VAL  20          HG13      VAL  20   2.901  -7.244  -4.826
  177   1HG2  VAL  20          HG21      VAL  20   4.306  -8.288  -0.956
  178   2HG2  VAL  20          HG22      VAL  20   5.237  -8.831  -2.353
  179   3HG2  VAL  20          HG23      VAL  20   3.640  -9.511  -2.038
  180    H    VAL  21           HN       VAL  21   2.751  -4.543  -1.841
  181    HA   VAL  21           HA       VAL  21   3.638  -4.926   0.933
  182    HB   VAL  21           HB       VAL  21   4.697  -2.837  -0.003
  183   1HG1  VAL  21          HG11      VAL  21   1.856  -1.828  -0.018
  184   2HG1  VAL  21          HG12      VAL  21   2.895  -2.062  -1.424
  185   3HG1  VAL  21          HG13      VAL  21   3.299  -0.834  -0.225
  186   1HG2  VAL  21          HG21      VAL  21   4.187  -1.458   1.958
  187   2HG2  VAL  21          HG22      VAL  21   4.421  -3.152   2.388
  188   3HG2  VAL  21          HG23      VAL  21   2.793  -2.480   2.306
  189    HA   PRO  22           HA       PRO  22  -0.774  -5.192   1.557
  190   1HB   PRO  22          HB2       PRO  22  -0.137  -4.951   4.408
  191   2HB   PRO  22          HB1       PRO  22  -0.875  -6.299   3.538
  192   1HG   PRO  22          HG2       PRO  22   1.629  -6.433   4.523
  193   2HG   PRO  22          HG1       PRO  22   1.155  -7.250   3.023
  194   1HD   PRO  22          HD2       PRO  22   2.646  -4.676   3.386
  195   2HD   PRO  22          HD1       PRO  22   2.937  -5.995   2.231
  196    H    VAL  23           HN       VAL  23  -1.933  -3.441   1.151
  197    HA   VAL  23           HA       VAL  23  -1.504  -1.004   2.734
  198    HB   VAL  23           HB       VAL  23  -2.760   0.183   0.985
  199   1HG1  VAL  23          HG11      VAL  23  -0.350   0.057   0.786
  200   2HG1  VAL  23          HG12      VAL  23  -1.098   0.005  -0.810
  201   3HG1  VAL  23          HG13      VAL  23  -0.483  -1.476  -0.078
  202   1HG2  VAL  23          HG21      VAL  23  -2.820  -2.481  -0.423
  203   2HG2  VAL  23          HG22      VAL  23  -3.314  -0.939  -1.123
  204   3HG2  VAL  23          HG23      VAL  23  -4.208  -1.617   0.238
  205    H    LYS  24           HN       LYS  24  -3.325   0.071   3.605
  206    HA   LYS  24           HA       LYS  24  -5.785  -1.507   3.801
  207   1HB   LYS  24          HB2       LYS  24  -5.849  -0.962   6.258
  208   2HB   LYS  24          HB1       LYS  24  -4.608  -2.116   5.789
  209   1HG   LYS  24          HG2       LYS  24  -2.936  -0.335   5.841
  210   2HG   LYS  24          HG1       LYS  24  -4.181   0.815   6.327
  211   1HD   LYS  24          HD2       LYS  24  -3.582  -1.664   7.923
  212   2HD   LYS  24          HD1       LYS  24  -2.690  -0.161   8.160
  213   1HE   LYS  24          HE2       LYS  24  -4.354  -0.022   9.763
  214   2HE   LYS  24          HE1       LYS  24  -5.027   0.912   8.430
  215   1HZ   LYS  24          HZ1       LYS  24  -6.255  -1.136   7.777
  216   2HZ   LYS  24          HZ2       LYS  24  -6.720  -0.503   9.278
  217   3HZ   LYS  24          HZ3       LYS  24  -5.719  -1.870   9.205
  218    H    SER  25           HN       SER  25  -7.586  -0.232   4.694
  219    HA   SER  25           HA       SER  25  -7.372   2.590   3.896
  220   1HB   SER  25          HB2       SER  25  -9.848   0.860   4.112
  221   2HB   SER  25          HB1       SER  25  -9.763   2.492   3.452
  222    HG   SER  25           HG       SER  25  -8.342   0.270   2.401
  223    H    ASN  26           HN       ASN  26  -7.711   4.136   5.399
  224    HA   ASN  26           HA       ASN  26  -8.047   3.339   8.141
  225   1HB   ASN  26          HB2       ASN  26  -7.815   5.682   8.695
  226   2HB   ASN  26          HB1       ASN  26  -6.621   5.264   7.473
  227   1HD2  ASN  26          HD21      ASN  26  -7.754   7.844   8.204
  228   2HD2  ASN  26          HD22      ASN  26  -8.416   8.492   6.737
  229    H    LYS  27           HN       LYS  27 -10.200   4.001   5.649
  230    HA   LYS  27           HA       LYS  27 -12.388   4.490   7.561
  231   1HB   LYS  27          HB2       LYS  27 -12.367   5.120   4.602
  232   2HB   LYS  27          HB1       LYS  27 -13.632   5.528   5.748
  233   1HG   LYS  27          HG2       LYS  27 -10.829   6.627   5.797
  234   2HG   LYS  27          HG1       LYS  27 -12.238   7.455   5.134
  235   1HD   LYS  27          HD2       LYS  27 -13.290   7.447   7.329
  236   2HD   LYS  27          HD1       LYS  27 -11.915   6.567   8.000
  237   1HE   LYS  27          HE2       LYS  27 -10.448   8.454   7.424
  238   2HE   LYS  27          HE1       LYS  27 -11.841   9.333   6.793
  239   1HZ   LYS  27          HZ1       LYS  27 -11.557   8.402   9.599
  240   2HZ   LYS  27          HZ2       LYS  27 -12.821   9.347   8.967
  241   3HZ   LYS  27          HZ3       LYS  27 -11.254   9.988   9.068
  242    HA   PRO  28           HA       PRO  28 -13.995   0.522   6.253
  243   1HB   PRO  28          HB2       PRO  28 -16.646   1.575   6.991
  244   2HB   PRO  28          HB1       PRO  28 -15.754   0.212   7.675
  245   1HG   PRO  28          HG2       PRO  28 -16.099   2.505   9.034
  246   2HG   PRO  28          HG1       PRO  28 -14.618   1.542   9.182
  247   1HD   PRO  28          HD2       PRO  28 -15.107   4.035   7.590
  248   2HD   PRO  28          HD1       PRO  28 -13.694   3.581   8.569
  249    H    VAL  29           HN       VAL  29 -14.352   0.014   4.210
  250    HA   VAL  29           HA       VAL  29 -15.564   2.031   2.457
  251    HB   VAL  29           HB       VAL  29 -14.015  -0.411   1.603
  252   1HG1  VAL  29          HG11      VAL  29 -14.560   2.213   0.222
  253   2HG1  VAL  29          HG12      VAL  29 -15.318   0.664  -0.147
  254   3HG1  VAL  29          HG13      VAL  29 -13.592   0.890  -0.427
  255   1HG2  VAL  29          HG21      VAL  29 -12.035   1.064   1.439
  256   2HG2  VAL  29          HG22      VAL  29 -12.576   0.798   3.098
  257   3HG2  VAL  29          HG23      VAL  29 -12.943   2.320   2.282
  258    H    GLU  30           HN       GLU  30 -17.211   1.518   1.034
  259    HA   GLU  30           HA       GLU  30 -19.007  -0.570   1.641
  260   1HB   GLU  30          HB2       GLU  30 -18.724   0.933  -0.972
  261   2HB   GLU  30          HB1       GLU  30 -20.147   0.060  -0.415
  262   1HG   GLU  30          HG2       GLU  30 -20.509   1.644   1.339
  263   2HG   GLU  30          HG1       GLU  30 -18.982   2.453   0.990
  264    H    ILE  31           HN       ILE  31 -18.797  -2.679   1.215
  265    HA   ILE  31           HA       ILE  31 -16.499  -3.717  -0.003
  266    HB   ILE  31           HB       ILE  31 -17.611  -5.922   0.131
  267   1HG1  ILE  31          HG12      ILE  31 -19.965  -4.337   1.192
  268   2HG1  ILE  31          HG11      ILE  31 -19.908  -5.135  -0.376
  269   1HG2  ILE  31          HG21      ILE  31 -17.777  -5.961   2.573
  270   2HG2  ILE  31          HG22      ILE  31 -17.868  -4.201   2.597
  271   3HG2  ILE  31          HG23      ILE  31 -16.398  -5.001   2.038
  272   1HD1  ILE  31          HD11      ILE  31 -21.152  -6.431   1.279
  273   2HD1  ILE  31          HD12      ILE  31 -19.706  -6.518   2.289
  274   3HD1  ILE  31          HD13      ILE  31 -19.725  -7.293   0.704
  275    H    SER  32           HN       SER  32 -19.509  -2.762  -1.376
  276    HA   SER  32           HA       SER  32 -19.433  -4.363  -3.717
  277   1HB   SER  32          HB2       SER  32 -20.746  -1.657  -3.436
  278   2HB   SER  32          HB1       SER  32 -21.218  -2.983  -4.500
  279    HG   SER  32           HG       SER  32 -22.289  -2.538  -2.264
  280    H    LYS  33           HN       LYS  33 -17.604  -1.683  -2.707
  281    HA   LYS  33           HA       LYS  33 -17.063  -0.775  -5.441
  282   1HB   LYS  33          HB2       LYS  33 -17.387   0.586  -3.033
  283   2HB   LYS  33          HB1       LYS  33 -15.655   0.632  -3.319
  284   1HG   LYS  33          HG2       LYS  33 -16.145   1.524  -5.605
  285   2HG   LYS  33          HG1       LYS  33 -17.835   1.658  -5.114
  286   1HD   LYS  33          HD2       LYS  33 -17.035   3.049  -3.166
  287   2HD   LYS  33          HD1       LYS  33 -15.453   3.080  -3.940
  288   1HE   LYS  33          HE2       LYS  33 -18.041   4.145  -5.058
  289   2HE   LYS  33          HE1       LYS  33 -16.672   5.094  -4.485
  290   1HZ   LYS  33          HZ1       LYS  33 -16.757   3.342  -6.875
  291   2HZ   LYS  33          HZ2       LYS  33 -15.337   4.046  -6.287
  292   3HZ   LYS  33          HZ3       LYS  33 -16.609   5.027  -6.846
  293    H    TRP  34           HN       TRP  34 -15.954  -3.243  -3.819
  294    HA   TRP  34           HA       TRP  34 -13.213  -2.762  -3.393
  295   1HB   TRP  34          HB2       TRP  34 -12.956  -5.084  -3.052
  296   2HB   TRP  34          HB1       TRP  34 -14.587  -4.719  -2.506
  297    HD1  TRP  34           HD1      TRP  34 -16.622  -5.584  -4.128
  298    HE1  TRP  34           HE1      TRP  34 -16.714  -7.586  -5.756
  299    HE3  TRP  34           HE3      TRP  34 -11.608  -6.430  -4.641
  300    HZ2  TRP  34           HZ2      TRP  34 -14.885  -9.292  -7.078
  301    HZ3  TRP  34           HZ3      TRP  34 -10.859  -8.262  -6.104
  302    HH2  TRP  34           HH2      TRP  34 -12.462  -9.661  -7.296
  303    H    ILE  35           HN       ILE  35 -14.997  -3.797  -6.237
  304    HA   ILE  35           HA       ILE  35 -12.762  -4.441  -7.849
  305    HB   ILE  35           HB       ILE  35 -14.339  -3.994  -9.781
  306   1HG1  ILE  35          HG12      ILE  35 -16.335  -3.588  -7.539
  307   2HG1  ILE  35          HG11      ILE  35 -15.758  -2.327  -8.622
  308   1HG2  ILE  35          HG21      ILE  35 -14.026  -6.212  -8.863
  309   2HG2  ILE  35          HG22      ILE  35 -15.714  -5.971  -9.318
  310   3HG2  ILE  35          HG23      ILE  35 -15.238  -5.892  -7.622
  311   1HD1  ILE  35          HD11      ILE  35 -17.954  -3.108  -9.281
  312   2HD1  ILE  35          HD12      ILE  35 -17.343  -4.757  -9.420
  313   3HD1  ILE  35          HD13      ILE  35 -16.758  -3.504 -10.515
  314    H    ASP  36           HN       ASP  36 -14.531  -1.470  -7.242
  315    HA   ASP  36           HA       ASP  36 -13.416   0.116  -9.268
  316   1HB   ASP  36          HB2       ASP  36 -15.439   0.734  -8.008
  317   2HB   ASP  36          HB1       ASP  36 -14.473   0.939  -6.553
  318    H    PHE  37           HN       PHE  37 -12.515  -0.288  -5.867
  319    HA   PHE  37           HA       PHE  37 -10.289   1.452  -5.949
  320   1HB   PHE  37          HB2       PHE  37 -11.213  -0.689  -4.072
  321   2HB   PHE  37          HB1       PHE  37  -9.609   0.007  -3.874
  322    HD1  PHE  37           HD2      PHE  37 -12.740   1.729  -4.926
  323    HD2  PHE  37           HD1      PHE  37  -9.792   1.201  -1.897
  324    HE1  PHE  37           HE2      PHE  37 -13.700   3.608  -3.663
  325    HE2  PHE  37           HE1      PHE  37 -10.750   3.078  -0.633
  326    HZ   PHE  37           HZ       PHE  37 -12.706   4.282  -1.514
  327    H    SER  38           HN       SER  38 -10.598  -2.047  -6.421
  328    HA   SER  38           HA       SER  38  -7.867  -2.647  -6.570
  329   1HB   SER  38          HB2       SER  38 -10.207  -3.999  -7.937
  330   2HB   SER  38          HB1       SER  38  -8.587  -4.684  -7.797
  331    HG   SER  38           HG       SER  38 -10.517  -4.226  -5.796
  332    H    ASN  39           HN       ASN  39 -10.147  -1.563  -9.053
  333    HA   ASN  39           HA       ASN  39  -8.425  -1.796 -11.264
  334   1HB   ASN  39          HB2       ASN  39 -10.762   0.045 -10.743
  335   2HB   ASN  39          HB1       ASN  39  -9.890   0.028 -12.271
  336   1HD2  ASN  39          HD21      ASN  39 -12.668  -0.632 -11.677
  337   2HD2  ASN  39          HD22      ASN  39 -12.907  -2.251 -12.241
  338    H    VAL  40           HN       VAL  40  -8.977   0.874  -9.005
  339    HA   VAL  40           HA       VAL  40  -7.240   2.718 -10.260
  340    HB   VAL  40           HB       VAL  40  -7.982   2.576  -7.331
  341   1HG1  VAL  40          HG11      VAL  40  -7.547   4.993  -7.345
  342   2HG1  VAL  40          HG12      VAL  40  -6.980   4.870  -9.010
  343   3HG1  VAL  40          HG13      VAL  40  -6.101   4.053  -7.718
  344   1HG2  VAL  40          HG21      VAL  40  -9.747   4.190  -7.909
  345   2HG2  VAL  40          HG22      VAL  40  -9.979   2.629  -8.696
  346   3HG2  VAL  40          HG23      VAL  40  -9.345   3.995  -9.614
  347    H    LEU  41           HN       LEU  41  -6.755   0.393  -7.622
  348    HA   LEU  41           HA       LEU  41  -4.089   1.097  -7.044
  349   1HB   LEU  41          HB2       LEU  41  -5.549  -1.509  -6.632
  350   2HB   LEU  41          HB1       LEU  41  -3.967  -1.149  -5.968
  351    HG   LEU  41           HG       LEU  41  -6.522   0.319  -5.311
  352   1HD1  LEU  41          HD11      LEU  41  -6.451  -1.940  -4.386
  353   2HD1  LEU  41          HD12      LEU  41  -6.301  -0.723  -3.119
  354   3HD1  LEU  41          HD13      LEU  41  -4.875  -1.604  -3.670
  355   1HD2  LEU  41          HD21      LEU  41  -4.568   1.782  -5.216
  356   2HD2  LEU  41          HD22      LEU  41  -3.742   0.620  -4.178
  357   3HD2  LEU  41          HD23      LEU  41  -5.189   1.446  -3.601
  358    H    SER  42           HN       SER  42  -5.461  -0.897  -9.541
  359    HA   SER  42           HA       SER  42  -3.067  -2.335 -10.145
  360   1HB   SER  42          HB2       SER  42  -5.551  -1.885 -11.815
  361   2HB   SER  42          HB1       SER  42  -4.273  -3.043 -12.185
  362    HG   SER  42           HG       SER  42  -5.970  -3.037  -9.899
  363    H    ARG  43           HN       ARG  43  -3.859   0.857 -10.559
  364    HA   ARG  43           HA       ARG  43  -2.056   1.133 -12.878
  365   1HB   ARG  43          HB2       ARG  43  -4.009   3.189 -11.832
  366   2HB   ARG  43          HB1       ARG  43  -3.124   3.234 -13.349
  367   1HG   ARG  43          HG2       ARG  43  -4.411   1.370 -14.198
  368   2HG   ARG  43          HG1       ARG  43  -5.257   1.223 -12.655
  369   1HD   ARG  43          HD2       ARG  43  -6.067   3.571 -12.981
  370   2HD   ARG  43          HD1       ARG  43  -5.371   3.519 -14.600
  371    HE   ARG  43           HE       ARG  43  -7.024   1.309 -14.392
  372   1HH1  ARG  43          HH11      ARG  43  -7.336   4.799 -14.338
  373   2HH1  ARG  43          HH12      ARG  43  -9.004   4.781 -14.844
  374   1HH2  ARG  43          HH21      ARG  43  -9.183   1.277 -15.068
  375   2HH2  ARG  43          HH22      ARG  43 -10.066   2.769 -15.233
  376    H    LEU  44           HN       LEU  44  -1.879   1.052  -9.715
  377    HA   LEU  44           HA       LEU  44  -0.449   3.595  -9.350
  378   1HB   LEU  44          HB2       LEU  44  -2.514   3.088  -7.982
  379   2HB   LEU  44          HB1       LEU  44  -1.602   1.806  -7.213
  380    HG   LEU  44           HG       LEU  44  -0.009   3.459  -6.332
  381   1HD1  LEU  44          HD11      LEU  44  -0.489   5.845  -6.517
  382   2HD1  LEU  44          HD12      LEU  44  -1.853   5.496  -7.578
  383   3HD1  LEU  44          HD13      LEU  44  -0.211   5.129  -8.105
  384   1HD2  LEU  44          HD21      LEU  44  -2.891   4.112  -5.725
  385   2HD2  LEU  44          HD22      LEU  44  -1.505   4.475  -4.696
  386   3HD2  LEU  44          HD23      LEU  44  -1.961   2.799  -5.007
  387    H    TYR  45           HN       TYR  45   0.883   1.466 -10.588
  388    HA   TYR  45           HA       TYR  45   2.516   0.038  -8.742
  389   1HB   TYR  45          HB2       TYR  45   2.712   0.611 -11.686
  390   2HB   TYR  45          HB1       TYR  45   4.045  -0.158 -10.833
  391    HD1  TYR  45           HD2      TYR  45   0.377  -0.527 -11.447
  392    HD2  TYR  45           HD1      TYR  45   4.070  -2.459 -10.584
  393    HE1  TYR  45           HE2      TYR  45  -0.713  -2.718 -11.709
  394    HE2  TYR  45           HE1      TYR  45   2.988  -4.654 -10.843
  395    HH   TYR  45           HH       TYR  45  -0.034  -5.070 -12.264
  396    H    VAL  46           HN       VAL  46   3.451   1.371  -7.268
  397    HA   VAL  46           HA       VAL  46   5.123   3.563  -8.279
  398    HB   VAL  46           HB       VAL  46   3.290   4.171  -6.695
  399   1HG1  VAL  46          HG11      VAL  46   3.536   3.635  -4.320
  400   2HG1  VAL  46          HG12      VAL  46   4.897   2.581  -4.704
  401   3HG1  VAL  46          HG13      VAL  46   3.284   2.192  -5.301
  402   1HG2  VAL  46          HG21      VAL  46   4.657   5.603  -5.246
  403   2HG2  VAL  46          HG22      VAL  46   5.228   5.614  -6.914
  404   3HG2  VAL  46          HG23      VAL  46   6.089   4.676  -5.695
  405    H    GLY  47           HN       GLY  47   7.222   3.865  -7.321
  406   1HA   GLY  47          HA2       GLY  47   8.302   1.417  -6.075
  407   2HA   GLY  47          HA1       GLY  47   9.174   2.300  -7.318
  408    H    VAL  48           HN       VAL  48   8.382   2.102  -3.980
  409    HA   VAL  48           HA       VAL  48  10.560   3.763  -3.255
  410    HB   VAL  48           HB       VAL  48   9.047   5.585  -3.813
  411   1HG1  VAL  48          HG11      VAL  48   6.939   5.931  -2.611
  412   2HG1  VAL  48          HG12      VAL  48   7.138   4.368  -1.820
  413   3HG1  VAL  48          HG13      VAL  48   6.913   4.448  -3.568
  414   1HG2  VAL  48          HG21      VAL  48   9.045   6.779  -1.668
  415   2HG2  VAL  48          HG22      VAL  48  10.562   5.922  -1.943
  416   3HG2  VAL  48          HG23      VAL  48   9.365   5.260  -0.831
  417    HA   PRO  49           HA       PRO  49   9.887   1.073   0.281
  418   1HB   PRO  49          HB2       PRO  49  12.302   2.311   1.359
  419   2HB   PRO  49          HB1       PRO  49  12.035   0.638   0.869
  420   1HG   PRO  49          HG2       PRO  49  13.648   2.324  -0.508
  421   2HG   PRO  49          HG1       PRO  49  12.738   1.016  -1.287
  422   1HD   PRO  49          HD2       PRO  49  12.116   3.945  -1.156
  423   2HD   PRO  49          HD1       PRO  49  11.956   2.820  -2.523
  424    H    THR  50           HN       THR  50   8.494   1.609   1.855
  425    HA   THR  50           HA       THR  50   8.658   4.323   2.979
  426    HB   THR  50           HB       THR  50   6.098   3.970   3.255
  427    HG1  THR  50           HG1      THR  50   5.916   2.631   0.937
  428   1HG2  THR  50          HG21      THR  50   5.703   4.960   1.053
  429   2HG2  THR  50          HG22      THR  50   7.315   4.466   0.534
  430   3HG2  THR  50          HG23      THR  50   7.131   5.667   1.812
  431    H    LYS  51           HN       LYS  51   7.009   4.386   4.958
  432    HA   LYS  51           HA       LYS  51   7.897   2.300   6.834
  433   1HB   LYS  51          HB2       LYS  51   7.389   4.016   8.588
  434   2HB   LYS  51          HB1       LYS  51   8.655   4.508   7.466
  435   1HG   LYS  51          HG2       LYS  51   7.095   5.900   6.259
  436   2HG   LYS  51          HG1       LYS  51   5.767   5.347   7.275
  437   1HD   LYS  51          HD2       LYS  51   8.182   6.826   8.304
  438   2HD   LYS  51          HD1       LYS  51   6.656   7.600   7.874
  439   1HE   LYS  51          HE2       LYS  51   5.535   6.084   9.532
  440   2HE   LYS  51          HE1       LYS  51   7.140   5.566  10.045
  441   1HZ   LYS  51          HZ1       LYS  51   6.340   7.299  11.487
  442   2HZ   LYS  51          HZ2       LYS  51   6.054   8.328  10.170
  443   3HZ   LYS  51          HZ3       LYS  51   7.643   7.898  10.579
  444    H    SER  52           HN       SER  52   6.243   2.054   8.735
  445    HA   SER  52           HA       SER  52   3.778   1.177   7.629
  446   1HB   SER  52          HB2       SER  52   3.227   0.975  10.196
  447   2HB   SER  52          HB1       SER  52   4.399  -0.109   9.448
  448    HG   SER  52           HG       SER  52   4.811   2.069  11.178
  449    H    GLY  53           HN       GLY  53   1.957   2.245   7.314
  450   1HA   GLY  53          HA2       GLY  53   0.226   3.744   7.841
  451   2HA   GLY  53          HA1       GLY  53   1.288   4.534   8.999
  452    H    ASN  54           HN       ASN  54   2.273   3.808   5.731
  453    HA   ASN  54           HA       ASN  54   2.618   6.671   5.254
  454   1HB   ASN  54          HB2       ASN  54   3.940   6.072   3.324
  455   2HB   ASN  54          HB1       ASN  54   4.461   5.081   4.680
  456   1HD2  ASN  54          HD21      ASN  54   4.090   2.884   4.641
  457   2HD2  ASN  54          HD22      ASN  54   3.609   2.055   3.199
  458    H    VAL  55           HN       VAL  55   1.296   7.866   4.027
  459    HA   VAL  55           HA       VAL  55  -1.027   6.534   2.886
  460    HB   VAL  55           HB       VAL  55  -0.437   9.497   2.912
  461   1HG1  VAL  55          HG11      VAL  55  -2.151   8.836   1.329
  462   2HG1  VAL  55          HG12      VAL  55  -2.867   9.723   2.674
  463   3HG1  VAL  55          HG13      VAL  55  -3.015   7.968   2.598
  464   1HG2  VAL  55          HG21      VAL  55  -0.403   8.666   5.196
  465   2HG2  VAL  55          HG22      VAL  55  -1.966   7.884   4.947
  466   3HG2  VAL  55          HG23      VAL  55  -1.841   9.643   4.904
  467    H    VAL  56           HN       VAL  56  -0.877   5.782   0.877
  468    HA   VAL  56           HA       VAL  56   1.020   6.833  -1.013
  469    HB   VAL  56           HB       VAL  56  -1.276   4.966  -1.622
  470   1HG1  VAL  56          HG11      VAL  56   0.216   4.174  -3.408
  471   2HG1  VAL  56          HG12      VAL  56   1.407   5.388  -2.939
  472   3HG1  VAL  56          HG13      VAL  56  -0.162   5.888  -3.572
  473   1HG2  VAL  56          HG21      VAL  56   0.264   3.112  -1.195
  474   2HG2  VAL  56          HG22      VAL  56  -0.029   4.059   0.263
  475   3HG2  VAL  56          HG23      VAL  56   1.482   4.253  -0.627
  476    H    CYS  57           HN       CYS  57  -2.529   6.529  -1.106
  477    HA   CYS  57           HA       CYS  57  -2.633   9.134  -2.454
  478   1HB   CYS  57          HB2       CYS  57  -2.911   7.321  -4.124
  479   2HB   CYS  57          HB1       CYS  57  -4.285   6.713  -3.208
  480    HG   CYS  57           HG       CYS  57  -4.079   9.510  -5.135
  481    H    LYS  58           HN       LYS  58  -3.544  10.399  -0.973
  482    HA   LYS  58           HA       LYS  58  -5.684   9.422   0.722
  483   1HB   LYS  58          HB2       LYS  58  -3.937  11.043   1.524
  484   2HB   LYS  58          HB1       LYS  58  -4.637  12.246   0.451
  485   1HG   LYS  58          HG2       LYS  58  -6.714  12.199   1.664
  486   2HG   LYS  58          HG1       LYS  58  -6.138  10.862   2.662
  487   1HD   LYS  58          HD2       LYS  58  -4.302  12.366   3.458
  488   2HD   LYS  58          HD1       LYS  58  -5.100  13.688   2.602
  489   1HE   LYS  58          HE2       LYS  58  -7.064  13.456   3.961
  490   2HE   LYS  58          HE1       LYS  58  -6.417  12.004   4.726
  491   1HZ   LYS  58          HZ1       LYS  58  -5.338  14.761   4.966
  492   2HZ   LYS  58          HZ2       LYS  58  -4.601  13.377   5.614
  493   3HZ   LYS  58          HZ3       LYS  58  -6.123  13.872   6.180
  494    H    ASN  59           HN       ASN  59  -7.825   9.941   0.531
  495    HA   ASN  59           HA       ASN  59  -9.778  10.348  -0.558
  496   1HB   ASN  59          HB2       ASN  59  -8.189  12.714  -1.574
  497   2HB   ASN  59          HB1       ASN  59  -9.902  12.488  -1.908
  498   1HD2  ASN  59          HD21      ASN  59 -10.473  14.357  -0.837
  499   2HD2  ASN  59          HD22      ASN  59 -10.439  14.475   0.893
  500    H    ILE  60           HN       ILE  60  -8.279   8.415  -1.598
  501    HA   ILE  60           HA       ILE  60  -7.253   8.549  -4.137
  502    HB   ILE  60           HB       ILE  60  -6.841   6.628  -2.824
  503   1HG1  ILE  60          HG12      ILE  60  -8.624   5.785  -5.121
  504   2HG1  ILE  60          HG11      ILE  60  -6.920   6.206  -5.246
  505   1HG2  ILE  60          HG21      ILE  60  -8.796   6.588  -1.441
  506   2HG2  ILE  60          HG22      ILE  60  -8.614   5.008  -2.206
  507   3HG2  ILE  60          HG23      ILE  60  -9.816   6.149  -2.812
  508   1HD1  ILE  60          HD11      ILE  60  -7.270   3.791  -5.270
  509   2HD1  ILE  60          HD12      ILE  60  -8.035   3.890  -3.685
  510   3HD1  ILE  60          HD13      ILE  60  -6.330   4.296  -3.865
  511    H    MET  61           HN       MET  61 -10.616   8.025  -3.218
  512    HA   MET  61           HA       MET  61 -11.361   8.439  -6.030
  513   1HB   MET  61          HB2       MET  61 -11.571   6.025  -4.771
  514   2HB   MET  61          HB1       MET  61 -13.148   6.721  -4.419
  515   1HG   MET  61          HG2       MET  61 -12.051   6.657  -7.206
  516   2HG   MET  61          HG1       MET  61 -12.876   5.266  -6.513
  517   1HE   MET  61          HE1       MET  61 -14.584   5.314  -8.515
  518   2HE   MET  61          HE2       MET  61 -13.801   6.732  -9.213
  519   3HE   MET  61          HE3       MET  61 -15.548   6.720  -8.967
  520    H    ASN  62           HN       ASN  62 -11.133  10.418  -4.092
  521    HA   ASN  62           HA       ASN  62 -12.228  12.176  -3.140
  522   1HB   ASN  62          HB2       ASN  62 -13.427  12.102  -5.377
  523   2HB   ASN  62          HB1       ASN  62 -14.705  11.197  -4.580
  524   1HD2  ASN  62          HD21      ASN  62 -16.141  12.270  -3.251
  525   2HD2  ASN  62          HD22      ASN  62 -16.169  13.994  -3.078
  526    H    THR  63           HN       THR  63 -12.274   9.397  -2.043
  527    HA   THR  63           HA       THR  63 -14.760   9.123  -0.628
  528    HB   THR  63           HB       THR  63 -13.534   7.147   0.405
  529    HG1  THR  63           HG1      THR  63 -11.565   6.589  -0.574
  530   1HG2  THR  63          HG21      THR  63 -13.672   5.809  -1.627
  531   2HG2  THR  63          HG22      THR  63 -13.668   7.271  -2.610
  532   3HG2  THR  63          HG23      THR  63 -15.030   6.930  -1.539
  533    H    GLY  64           HN       GLY  64 -11.656  10.506   0.004
  534   1HA   GLY  64          HA2       GLY  64 -10.956  11.722   1.864
  535   2HA   GLY  64          HA1       GLY  64 -12.428  11.233   2.697
  536    H    VAL  65           HN       VAL  65 -10.754   8.713   1.196
  537    HA   VAL  65           HA       VAL  65  -9.999   7.614   3.780
  538    HB   VAL  65           HB       VAL  65  -9.929   6.304   1.051
  539   1HG1  VAL  65          HG11      VAL  65  -8.426   5.220   2.606
  540   2HG1  VAL  65          HG12      VAL  65  -9.834   4.197   2.321
  541   3HG1  VAL  65          HG13      VAL  65  -9.704   5.124   3.817
  542   1HG2  VAL  65          HG21      VAL  65 -11.966   5.108   1.868
  543   2HG2  VAL  65          HG22      VAL  65 -12.198   6.825   1.541
  544   3HG2  VAL  65          HG23      VAL  65 -12.030   6.259   3.202
  545    H    ASP  66           HN       ASP  66  -7.971   7.258   4.428
  546    HA   ASP  66           HA       ASP  66  -5.753   8.084   2.705
  547   1HB   ASP  66          HB2       ASP  66  -5.856   7.308   5.634
  548   2HB   ASP  66          HB1       ASP  66  -4.375   7.699   4.776
  549    H    ILE  67           HN       ILE  67  -5.398   6.417   1.288
  550    HA   ILE  67           HA       ILE  67  -5.402   3.678   2.152
  551    HB   ILE  67           HB       ILE  67  -4.269   4.888  -0.389
  552   1HG1  ILE  67          HG12      ILE  67  -6.686   5.261  -0.177
  553   2HG1  ILE  67          HG11      ILE  67  -6.341   4.102  -1.455
  554   1HG2  ILE  67          HG21      ILE  67  -3.278   2.723   0.088
  555   2HG2  ILE  67          HG22      ILE  67  -4.381   2.600  -1.282
  556   3HG2  ILE  67          HG23      ILE  67  -4.879   2.014   0.306
  557   1HD1  ILE  67          HD11      ILE  67  -6.936   2.274   0.058
  558   2HD1  ILE  67          HD12      ILE  67  -8.264   3.413  -0.161
  559   3HD1  ILE  67          HD13      ILE  67  -7.306   3.448   1.319
  560    H    ILE  68           HN       ILE  68  -3.911   3.119   3.607
  561    HA   ILE  68           HA       ILE  68  -1.192   4.209   3.302
  562    HB   ILE  68           HB       ILE  68  -0.943   3.953   5.750
  563   1HG1  ILE  68          HG12      ILE  68  -3.915   3.371   5.696
  564   2HG1  ILE  68          HG11      ILE  68  -2.656   2.210   6.098
  565   1HG2  ILE  68          HG21      ILE  68  -2.349   5.877   6.366
  566   2HG2  ILE  68          HG22      ILE  68  -3.236   5.689   4.852
  567   3HG2  ILE  68          HG23      ILE  68  -1.524   6.107   4.823
  568   1HD1  ILE  68          HD11      ILE  68  -3.289   4.711   7.638
  569   2HD1  ILE  68          HD12      ILE  68  -2.050   3.525   8.048
  570   3HD1  ILE  68          HD13      ILE  68  -3.755   3.070   8.087
  571    H    CYS  69           HN       CYS  69   0.484   2.837   3.227
  572    HA   CYS  69           HA       CYS  69  -0.036  -0.022   3.424
  573   1HB   CYS  69          HB2       CYS  69   2.715   1.095   3.054
  574   2HB   CYS  69          HB1       CYS  69   1.998  -0.364   2.371
  575    HG   CYS  69           HG       CYS  69   2.066   2.757   1.159
  576    H    THR  70           HN       THR  70   0.672  -1.319   5.101
  577    HA   THR  70           HA       THR  70   1.640   0.217   7.416
  578    HB   THR  70           HB       THR  70  -0.598  -0.725   7.725
  579    HG1  THR  70           HG1      THR  70   1.524  -1.782   9.275
  580   1HG2  THR  70          HG21      THR  70   0.720  -3.412   7.321
  581   2HG2  THR  70          HG22      THR  70  -0.430  -2.646   6.226
  582   3HG2  THR  70          HG23      THR  70  -0.949  -3.152   7.834
  583    H    LYS  71           HN       LYS  71   2.814  -1.867   5.180
  584    HA   LYS  71           HA       LYS  71   4.642  -3.123   7.099
  585   1HB   LYS  71          HB2       LYS  71   3.584  -4.638   5.453
  586   2HB   LYS  71          HB1       LYS  71   4.304  -3.700   4.151
  587   1HG   LYS  71          HG2       LYS  71   6.523  -4.318   4.872
  588   2HG   LYS  71          HG1       LYS  71   5.864  -5.151   6.280
  589   1HD   LYS  71          HD2       LYS  71   4.768  -6.767   4.856
  590   2HD   LYS  71          HD1       LYS  71   5.297  -5.900   3.413
  591   1HE   LYS  71          HE2       LYS  71   6.691  -7.866   3.868
  592   2HE   LYS  71          HE1       LYS  71   7.615  -6.369   3.947
  593   1HZ   LYS  71          HZ1       LYS  71   7.465  -6.450   6.366
  594   2HZ   LYS  71          HZ2       LYS  71   8.184  -7.857   5.758
  595   3HZ   LYS  71          HZ3       LYS  71   6.573  -7.892   6.281
  596    H    ASN  72           HN       ASN  72   6.812  -2.708   7.063
  597    HA   ASN  72           HA       ASN  72   7.555  -0.228   5.718
  598   1HB   ASN  72          HB2       ASN  72   9.047  -1.890   7.768
  599   2HB   ASN  72          HB1       ASN  72   9.627  -0.368   7.102
  600   1HD2  ASN  72          HD21      ASN  72   6.362  -1.270   8.142
  601   2HD2  ASN  72          HD22      ASN  72   6.241  -0.065   9.377
  602    H    LEU  73           HN       LEU  73   8.911  -0.096   4.028
  603    HA   LEU  73           HA       LEU  73   9.881  -2.631   2.931
  604   1HB   LEU  73          HB2       LEU  73   9.563   0.107   1.714
  605   2HB   LEU  73          HB1       LEU  73  10.413  -1.191   0.903
  606    HG   LEU  73           HG       LEU  73   8.239  -1.127  -0.017
  607   1HD1  LEU  73          HD11      LEU  73   8.344  -3.346   2.014
  608   2HD1  LEU  73          HD12      LEU  73   9.054  -3.366   0.400
  609   3HD1  LEU  73          HD13      LEU  73   7.301  -3.305   0.592
  610   1HD2  LEU  73          HD21      LEU  73   6.192  -1.256   1.322
  611   2HD2  LEU  73          HD22      LEU  73   7.127   0.195   1.684
  612   3HD2  LEU  73          HD23      LEU  73   7.159  -1.173   2.796
  613    HA   PRO  74           HA       PRO  74  13.921  -1.795   4.571
  614   1HB   PRO  74          HB2       PRO  74  14.741  -3.815   2.572
  615   2HB   PRO  74          HB1       PRO  74  14.973  -3.807   4.324
  616   1HG   PRO  74          HG2       PRO  74  13.189  -5.431   3.170
  617   2HG   PRO  74          HG1       PRO  74  12.861  -4.669   4.738
  618   1HD   PRO  74          HD2       PRO  74  11.846  -3.938   2.022
  619   2HD   PRO  74          HD1       PRO  74  10.993  -3.947   3.579
  620    H    LYS  75           HN       LYS  75  15.164  -0.156   4.015
  621    HA   LYS  75           HA       LYS  75  15.330   0.844   1.345
  622   1HB   LYS  75          HB2       LYS  75  16.987   1.547   3.779
  623   2HB   LYS  75          HB1       LYS  75  16.892   2.483   2.295
  624   1HG   LYS  75          HG2       LYS  75  14.525   1.927   4.061
  625   2HG   LYS  75          HG1       LYS  75  15.551   3.355   4.216
  626   1HD   LYS  75          HD2       LYS  75  15.023   3.953   1.885
  627   2HD   LYS  75          HD1       LYS  75  13.951   2.554   1.785
  628   1HE   LYS  75          HE2       LYS  75  12.714   4.623   2.226
  629   2HE   LYS  75          HE1       LYS  75  12.558   3.472   3.551
  630   1HZ   LYS  75          HZ1       LYS  75  14.476   5.740   3.529
  631   2HZ   LYS  75          HZ2       LYS  75  14.137   4.705   4.829
  632   3HZ   LYS  75          HZ3       LYS  75  12.955   5.786   4.275
  633    H    ASP  76           HN       ASP  76  17.106  -1.409   3.226
  634    HA   ASP  76           HA       ASP  76  19.583  -1.087   1.773
  635   1HB   ASP  76          HB2       ASP  76  18.799  -3.074   3.913
  636   2HB   ASP  76          HB1       ASP  76  20.416  -2.897   3.237
  637    H    SER  77           HN       SER  77  19.772  -1.923  -0.175
  638    HA   SER  77           HA       SER  77  18.520  -4.505  -0.777
  639   1HB   SER  77          HB2       SER  77  19.271  -3.948  -3.143
  640   2HB   SER  77          HB1       SER  77  18.059  -2.866  -2.459
  641    HG   SER  77           HG       SER  77  19.642  -1.340  -2.094
  642    H    LEU  78           HN       LEU  78  20.435  -4.839   1.005
  643    HA   LEU  78           HA       LEU  78  23.093  -4.955   0.032
  644   1HB   LEU  78          HB2       LEU  78  23.673  -5.934   2.119
  645   2HB   LEU  78          HB1       LEU  78  22.451  -4.720   2.430
  646    HG   LEU  78           HG       LEU  78  21.796  -7.655   2.220
  647   1HD1  LEU  78          HD11      LEU  78  21.811  -7.712   4.663
  648   2HD1  LEU  78          HD12      LEU  78  22.428  -6.061   4.698
  649   3HD1  LEU  78          HD13      LEU  78  23.411  -7.356   4.017
  650   1HD2  LEU  78          HD21      LEU  78  20.322  -5.320   3.441
  651   2HD2  LEU  78          HD22      LEU  78  19.796  -7.003   3.484
  652   3HD2  LEU  78          HD23      LEU  78  19.901  -6.152   1.943
  653    H    GLU  79           HN       GLU  79  20.542  -6.911  -0.744
  654    HA   GLU  79           HA       GLU  79  21.876  -9.445  -0.604
  655   1HB   GLU  79          HB2       GLU  79  19.384  -9.118  -0.400
  656   2HB   GLU  79          HB1       GLU  79  19.355  -8.796  -2.128
  657   1HG   GLU  79          HG2       GLU  79  20.101 -11.006  -2.628
  658   2HG   GLU  79          HG1       GLU  79  20.411 -11.341  -0.924
  659    H    HIS  80           HN       HIS  80  23.772  -8.722  -1.771
  660    HA   HIS  80           HA       HIS  80  23.415  -9.249  -4.654
  661   1HB   HIS  80          HB2       HIS  80  25.702  -7.793  -3.294
  662   2HB   HIS  80          HB1       HIS  80  25.630  -8.187  -5.005
  663    HD1  HIS  80           HD1      HIS  80  24.588  -6.488  -6.502
  664    HD2  HIS  80           HD2      HIS  80  23.699  -5.840  -2.490
  665    HE1  HIS  80           HE1      HIS  80  23.443  -4.246  -6.410
  666    HE2  HIS  80           HE2      HIS  80  23.075  -3.799  -3.952
  667    H    HIS  81           HN       HIS  81  26.071  -9.384  -2.316
  668    HA   HIS  81           HA       HIS  81  27.284 -11.049  -1.426
  669   1HB   HIS  81          HB2       HIS  81  25.031 -12.804  -2.393
  670   2HB   HIS  81          HB1       HIS  81  26.363 -13.372  -1.392
  671    HD1  HIS  81           HD1      HIS  81  26.582 -11.325   0.768
  672    HD2  HIS  81           HD2      HIS  81  22.906 -12.550  -0.747
  673    HE1  HIS  81           HE1      HIS  81  24.901 -10.805   2.562
  674    HE2  HIS  81           HE2      HIS  81  22.723 -11.735   1.707
  675    H    HIS  82           HN       HIS  82  26.041 -12.779  -4.312
  676    HA   HIS  82           HA       HIS  82  28.853 -13.084  -5.154
  677   1HB   HIS  82          HB2       HIS  82  26.835 -15.326  -5.300
  678   2HB   HIS  82          HB1       HIS  82  28.568 -15.420  -5.583
  679    HD1  HIS  82           HD1      HIS  82  26.025 -15.884  -3.033
  680    HD2  HIS  82           HD2      HIS  82  30.113 -15.090  -3.103
  681    HE1  HIS  82           HE1      HIS  82  26.870 -16.456  -0.730
  682    HE2  HIS  82           HE2      HIS  82  29.351 -16.028  -0.807
  683    H    HIS  83           HN       HIS  83  29.140 -12.527  -7.248
  684    HA   HIS  83           HA       HIS  83  26.752 -12.308  -8.920
  685   1HB   HIS  83          HB2       HIS  83  28.192 -10.329  -8.813
  686   2HB   HIS  83          HB1       HIS  83  29.552 -11.273  -9.411
  687    HD1  HIS  83           HD1      HIS  83  25.995 -11.117 -10.774
  688    HD2  HIS  83           HD2      HIS  83  29.915 -10.321 -11.932
  689    HE1  HIS  83           HE1      HIS  83  25.875 -10.496 -13.206
  690    HE2  HIS  83           HE2      HIS  83  28.266 -10.191 -13.929
  691    H    HIS  84           HN       HIS  84  26.763 -14.715  -8.882
  692    HA   HIS  84           HA       HIS  84  27.892 -15.559 -11.443
  693   1HB   HIS  84          HB2       HIS  84  28.154 -17.128  -8.867
  694   2HB   HIS  84          HB1       HIS  84  28.274 -17.881 -10.451
  695    HD1  HIS  84           HD1      HIS  84  30.455 -17.586 -11.740
  696    HD2  HIS  84           HD2      HIS  84  30.332 -15.458  -8.168
  697    HE1  HIS  84           HE1      HIS  84  32.811 -16.813 -11.325
  698    HE2  HIS  84           HE2      HIS  84  32.749 -15.734  -9.053
  699    H    HIS  85           HN       HIS  85  26.238 -17.314  -8.889
  700    HA   HIS  85           HA       HIS  85  23.604 -16.864  -9.582
  701   1HB   HIS  85          HB2       HIS  85  24.251 -18.053 -11.726
  702   2HB   HIS  85          HB1       HIS  85  24.561 -19.491 -10.758
  703    HD1  HIS  85           HD1      HIS  85  22.620 -21.016 -10.451
  704    HD2  HIS  85           HD2      HIS  85  21.445 -17.150 -11.437
  705    HE1  HIS  85           HE1      HIS  85  20.122 -21.112 -10.723
  706    HE2  HIS  85           HE2      HIS  85  19.426 -18.711 -11.041
  Start of MODEL    3
    1   1H    MET   1          HT1       MET   1 -25.546  -3.360   2.610
    2   2H    MET   1          HT2       MET   1 -25.952  -2.456   1.234
    3   3H    MET   1          HT3       MET   1 -25.836  -1.692   2.745
    4    HA   MET   1           HA       MET   1 -23.608  -2.935   1.239
    5   1HB   MET   1          HB2       MET   1 -24.206  -0.038   1.888
    6   2HB   MET   1          HB1       MET   1 -22.744  -0.619   1.104
    7   1HG   MET   1          HG2       MET   1 -24.060  -1.406  -0.789
    8   2HG   MET   1          HG1       MET   1 -25.535  -0.846  -0.001
    9   1HE   MET   1          HE1       MET   1 -25.138   1.710  -2.934
   10   2HE   MET   1          HE2       MET   1 -26.181   0.513  -2.167
   11   3HE   MET   1          HE3       MET   1 -24.704   0.001  -2.980
   12    H    HIS   2           HN       HIS   2 -21.987  -3.600   2.475
   13    HA   HIS   2           HA       HIS   2 -21.978  -2.761   5.297
   14   1HB   HIS   2          HB2       HIS   2 -22.217  -5.172   4.953
   15   2HB   HIS   2          HB1       HIS   2 -20.748  -5.198   3.981
   16    HD1  HIS   2           HD1      HIS   2 -18.526  -5.246   5.211
   17    HD2  HIS   2           HD2      HIS   2 -21.789  -4.842   7.753
   18    HE1  HIS   2           HE1      HIS   2 -17.619  -5.576   7.526
   19    HE2  HIS   2           HE2      HIS   2 -19.577  -5.199   9.062
   20    H    LYS   3           HN       LYS   3 -20.578  -1.203   5.738
   21    HA   LYS   3           HA       LYS   3 -18.186  -0.819   4.167
   22   1HB   LYS   3          HB2       LYS   3 -19.376   0.610   6.536
   23   2HB   LYS   3          HB1       LYS   3 -17.771   0.997   5.932
   24   1HG   LYS   3          HG2       LYS   3 -18.676   1.635   3.796
   25   2HG   LYS   3          HG1       LYS   3 -20.290   1.118   4.288
   26   1HD   LYS   3          HD2       LYS   3 -20.433   2.851   5.913
   27   2HD   LYS   3          HD1       LYS   3 -18.730   3.260   5.718
   28   1HE   LYS   3          HE2       LYS   3 -20.789   3.524   3.534
   29   2HE   LYS   3          HE1       LYS   3 -20.327   4.839   4.613
   30   1HZ   LYS   3          HZ1       LYS   3 -19.127   4.961   2.529
   31   2HZ   LYS   3          HZ2       LYS   3 -18.514   3.399   2.747
   32   3HZ   LYS   3          HZ3       LYS   3 -18.050   4.647   3.804
   33    H    ASP   4           HN       ASP   4 -16.268  -1.657   4.580
   34    HA   ASP   4           HA       ASP   4 -15.549  -2.432   7.312
   35   1HB   ASP   4          HB2       ASP   4 -16.456  -4.404   5.812
   36   2HB   ASP   4          HB1       ASP   4 -14.868  -4.299   5.063
   37    H    ILE   5           HN       ILE   5 -13.043  -3.269   7.050
   38    HA   ILE   5           HA       ILE   5 -11.765  -0.937   5.843
   39    HB   ILE   5           HB       ILE   5 -10.603  -3.083   7.628
   40   1HG1  ILE   5          HG12      ILE   5 -12.183  -1.619   8.794
   41   2HG1  ILE   5          HG11      ILE   5 -10.537  -1.286   9.322
   42   1HG2  ILE   5          HG21      ILE   5  -8.908  -2.184   6.130
   43   2HG2  ILE   5          HG22      ILE   5  -8.635  -1.626   7.780
   44   3HG2  ILE   5          HG23      ILE   5  -9.353  -0.539   6.589
   45   1HD1  ILE   5          HD11      ILE   5 -12.124   0.348   7.353
   46   2HD1  ILE   5          HD12      ILE   5 -10.472   0.681   7.873
   47   3HD1  ILE   5          HD13      ILE   5 -11.796   0.767   9.034
   48    H    PHE   6           HN       PHE   6 -11.558  -1.217   3.700
   49    HA   PHE   6           HA       PHE   6 -10.970  -3.621   2.390
   50   1HB   PHE   6          HB2       PHE   6 -11.798  -1.586   1.251
   51   2HB   PHE   6          HB1       PHE   6 -10.237  -0.821   1.510
   52    HD1  PHE   6           HD2      PHE   6 -11.969  -3.549  -0.268
   53    HD2  PHE   6           HD1      PHE   6  -8.409  -1.241   0.074
   54    HE1  PHE   6           HE2      PHE   6 -11.168  -4.477  -2.401
   55    HE2  PHE   6           HE1      PHE   6  -7.603  -2.163  -2.060
   56    HZ   PHE   6           HZ       PHE   6  -8.984  -3.782  -3.299
   57    H    THR   7           HN       THR   7  -9.301  -4.857   2.914
   58    HA   THR   7           HA       THR   7  -6.639  -3.608   3.051
   59    HB   THR   7           HB       THR   7  -7.439  -6.214   4.362
   60    HG1  THR   7           HG1      THR   7  -8.532  -4.287   5.237
   61   1HG2  THR   7          HG21      THR   7  -5.048  -5.962   3.917
   62   2HG2  THR   7          HG22      THR   7  -5.372  -5.879   5.648
   63   3HG2  THR   7          HG23      THR   7  -5.050  -4.402   4.740
   64    H    SER   8           HN       SER   8  -5.199  -4.265   1.552
   65    HA   SER   8           HA       SER   8  -5.475  -6.841   0.247
   66   1HB   SER   8          HB2       SER   8  -7.037  -5.242  -0.964
   67   2HB   SER   8          HB1       SER   8  -5.604  -4.323  -1.429
   68    HG   SER   8           HG       SER   8  -6.398  -5.962  -2.966
   69    H    VAL   9           HN       VAL   9  -3.776  -6.590  -1.820
   70    HA   VAL   9           HA       VAL   9  -1.371  -5.278  -0.744
   71    HB   VAL   9           HB       VAL   9   0.001  -7.106  -1.736
   72   1HG1  VAL   9          HG11      VAL   9  -0.479  -7.101   0.644
   73   2HG1  VAL   9          HG12      VAL   9  -0.430  -8.753   0.027
   74   3HG1  VAL   9          HG13      VAL   9  -1.981  -7.982   0.360
   75   1HG2  VAL   9          HG21      VAL   9  -1.578  -7.958  -3.373
   76   2HG2  VAL   9          HG22      VAL   9  -2.662  -8.484  -2.086
   77   3HG2  VAL   9          HG23      VAL   9  -1.085  -9.250  -2.276
   78    H    VAL  10           HN       VAL  10  -0.106  -4.204  -2.200
   79    HA   VAL  10           HA       VAL  10  -1.076  -4.160  -4.984
   80    HB   VAL  10           HB       VAL  10  -1.633  -2.084  -3.703
   81   1HG1  VAL  10          HG11      VAL  10   0.160  -0.506  -3.162
   82   2HG1  VAL  10          HG12      VAL  10   1.354  -1.729  -3.596
   83   3HG1  VAL  10          HG13      VAL  10   0.277  -1.995  -2.225
   84   1HG2  VAL  10          HG21      VAL  10  -1.424  -2.002  -6.120
   85   2HG2  VAL  10          HG22      VAL  10   0.312  -1.719  -5.979
   86   3HG2  VAL  10          HG23      VAL  10  -0.830  -0.506  -5.399
   87    H    ARG  11           HN       ARG  11   0.549  -3.732  -6.608
   88    HA   ARG  11           HA       ARG  11   3.058  -4.977  -5.917
   89   1HB   ARG  11          HB2       ARG  11   2.073  -3.937  -8.575
   90   2HB   ARG  11          HB1       ARG  11   3.579  -4.808  -8.327
   91   1HG   ARG  11          HG2       ARG  11   1.987  -6.619  -7.291
   92   2HG   ARG  11          HG1       ARG  11   0.780  -5.802  -8.290
   93   1HD   ARG  11          HD2       ARG  11   1.660  -7.530  -9.635
   94   2HD   ARG  11          HD1       ARG  11   2.406  -6.040 -10.210
   95    HE   ARG  11           HE       ARG  11   3.742  -8.051  -8.508
   96   1HH1  ARG  11          HH11      ARG  11   3.896  -5.457 -10.863
   97   2HH1  ARG  11          HH12      ARG  11   5.610  -5.605 -11.105
   98   1HH2  ARG  11          HH21      ARG  11   5.962  -8.274  -8.842
   99   2HH2  ARG  11          HH22      ARG  11   6.786  -7.243  -9.977
  100    H    VAL  12           HN       VAL  12   4.900  -4.038  -5.584
  101    HA   VAL  12           HA       VAL  12   4.982  -1.113  -5.584
  102    HB   VAL  12           HB       VAL  12   6.952  -3.021  -4.322
  103   1HG1  VAL  12          HG11      VAL  12   7.493  -1.114  -2.904
  104   2HG1  VAL  12          HG12      VAL  12   6.322  -0.129  -3.782
  105   3HG1  VAL  12          HG13      VAL  12   7.754  -0.745  -4.610
  106   1HG2  VAL  12          HG21      VAL  12   5.738  -2.665  -2.216
  107   2HG2  VAL  12          HG22      VAL  12   4.752  -3.489  -3.423
  108   3HG2  VAL  12          HG23      VAL  12   4.498  -1.774  -3.100
  109    H    ARG  13           HN       ARG  13   6.608   0.050  -6.632
  110    HA   ARG  13           HA       ARG  13   8.424  -1.492  -8.340
  111   1HB   ARG  13          HB2       ARG  13   6.517  -1.070  -9.764
  112   2HB   ARG  13          HB1       ARG  13   6.511   0.633  -9.323
  113   1HG   ARG  13          HG2       ARG  13   8.589   0.991 -10.472
  114   2HG   ARG  13          HG1       ARG  13   8.752  -0.736 -10.796
  115   1HD   ARG  13          HD2       ARG  13   6.900  -0.718 -12.281
  116   2HD   ARG  13          HD1       ARG  13   6.426   0.905 -11.777
  117    HE   ARG  13           HE       ARG  13   8.414   1.741 -12.886
  118   1HH1  ARG  13          HH11      ARG  13   7.421  -1.530 -13.697
  119   2HH1  ARG  13          HH12      ARG  13   8.264  -1.533 -15.216
  120   1HH2  ARG  13          HH21      ARG  13   9.521   1.727 -14.869
  121   2HH2  ARG  13          HH22      ARG  13   9.457   0.319 -15.891
  122    H    GLY  14           HN       GLY  14  10.264  -0.866  -7.438
  123   1HA   GLY  14          HA2       GLY  14  11.423   1.609  -7.952
  124   2HA   GLY  14          HA1       GLY  14  10.772   1.674  -6.318
  125    H    SER  15           HN       SER  15  13.244   1.987  -6.066
  126    HA   SER  15           HA       SER  15  14.737  -0.498  -6.227
  127   1HB   SER  15          HB2       SER  15  15.682   1.793  -6.836
  128   2HB   SER  15          HB1       SER  15  15.718   2.130  -5.105
  129    HG   SER  15           HG       SER  15  17.375   0.837  -4.862
  130    H    LYS  16           HN       LYS  16  13.385  -1.607  -4.721
  131    HA   LYS  16           HA       LYS  16  14.547  -1.628  -2.117
  132   1HB   LYS  16          HB2       LYS  16  12.176  -1.518  -1.024
  133   2HB   LYS  16          HB1       LYS  16  13.043  -0.035  -1.383
  134   1HG   LYS  16          HG2       LYS  16  10.927   0.450  -2.125
  135   2HG   LYS  16          HG1       LYS  16  11.707  -0.098  -3.610
  136   1HD   LYS  16          HD2       LYS  16   9.640  -1.183  -3.601
  137   2HD   LYS  16          HD1       LYS  16  10.771  -2.407  -3.013
  138   1HE   LYS  16          HE2       LYS  16   8.799  -2.443  -1.635
  139   2HE   LYS  16          HE1       LYS  16  10.146  -1.804  -0.693
  140   1HZ   LYS  16          HZ1       LYS  16   8.018  -0.184  -1.991
  141   2HZ   LYS  16          HZ2       LYS  16   9.306   0.439  -1.090
  142   3HZ   LYS  16          HZ3       LYS  16   8.133  -0.520  -0.340
  143    H    LYS  17           HN       LYS  17  13.948  -3.570  -0.923
  144    HA   LYS  17           HA       LYS  17  13.887  -5.664  -2.919
  145   1HB   LYS  17          HB2       LYS  17  15.596  -5.392  -1.041
  146   2HB   LYS  17          HB1       LYS  17  14.351  -6.011   0.036
  147   1HG   LYS  17          HG2       LYS  17  14.284  -8.096  -1.140
  148   2HG   LYS  17          HG1       LYS  17  15.371  -7.479  -2.387
  149   1HD   LYS  17          HD2       LYS  17  17.130  -7.209  -0.677
  150   2HD   LYS  17          HD1       LYS  17  16.042  -7.910   0.524
  151   1HE   LYS  17          HE2       LYS  17  15.984  -9.995  -0.661
  152   2HE   LYS  17          HE1       LYS  17  16.892  -9.306  -2.007
  153   1HZ   LYS  17          HZ1       LYS  17  17.897  -9.764   0.755
  154   2HZ   LYS  17          HZ2       LYS  17  18.767  -8.975  -0.471
  155   3HZ   LYS  17          HZ3       LYS  17  18.349 -10.605  -0.650
  156    H    TYR  18           HN       TYR  18  11.331  -4.513  -2.440
  157    HA   TYR  18           HA       TYR  18   9.868  -6.949  -1.900
  158   1HB   TYR  18          HB2       TYR  18   9.613  -4.518  -0.162
  159   2HB   TYR  18          HB1       TYR  18   8.194  -5.510  -0.475
  160    HD1  TYR  18           HD1      TYR  18   8.219  -7.921   0.208
  161    HD2  TYR  18           HD2      TYR  18  11.263  -5.203   1.412
  162    HE1  TYR  18           HE1      TYR  18   8.871  -9.463   2.006
  163    HE2  TYR  18           HE2      TYR  18  11.930  -6.740   3.216
  164    HH   TYR  18           HH       TYR  18  10.738  -9.974   3.416
  165    H    ASN  19           HN       ASN  19   8.785  -7.130  -3.764
  166    HA   ASN  19           HA       ASN  19   7.878  -4.727  -5.131
  167   1HB   ASN  19          HB2       ASN  19   7.874  -7.631  -5.958
  168   2HB   ASN  19          HB1       ASN  19   7.178  -6.343  -6.936
  169   1HD2  ASN  19          HD21      ASN  19   8.555  -4.749  -7.793
  170   2HD2  ASN  19          HD22      ASN  19  10.241  -5.061  -8.016
  171    H    VAL  20           HN       VAL  20   6.605  -6.325  -2.678
  172    HA   VAL  20           HA       VAL  20   3.898  -5.614  -3.515
  173    HB   VAL  20           HB       VAL  20   2.996  -7.647  -2.295
  174   1HG1  VAL  20          HG11      VAL  20   3.257  -9.134  -4.234
  175   2HG1  VAL  20          HG12      VAL  20   4.556  -8.104  -4.835
  176   3HG1  VAL  20          HG13      VAL  20   2.914  -7.471  -4.721
  177   1HG2  VAL  20          HG21      VAL  20   4.479  -9.606  -2.167
  178   2HG2  VAL  20          HG22      VAL  20   5.027  -8.296  -1.122
  179   3HG2  VAL  20          HG23      VAL  20   5.836  -8.596  -2.661
  180    H    VAL  21           HN       VAL  21   2.851  -4.468  -2.013
  181    HA   VAL  21           HA       VAL  21   3.647  -4.800   0.795
  182    HB   VAL  21           HB       VAL  21   4.693  -2.740  -0.097
  183   1HG1  VAL  21          HG11      VAL  21   1.862  -1.795  -0.497
  184   2HG1  VAL  21          HG12      VAL  21   3.042  -2.125  -1.765
  185   3HG1  VAL  21          HG13      VAL  21   3.311  -0.798  -0.636
  186   1HG2  VAL  21          HG21      VAL  21   4.174  -2.870   2.257
  187   2HG2  VAL  21          HG22      VAL  21   2.533  -2.299   1.952
  188   3HG2  VAL  21          HG23      VAL  21   3.905  -1.228   1.673
  189    HA   PRO  22           HA       PRO  22  -0.774  -5.181   1.321
  190   1HB   PRO  22          HB2       PRO  22  -0.763  -5.289   4.034
  191   2HB   PRO  22          HB1       PRO  22  -0.321  -6.663   3.016
  192   1HG   PRO  22          HG2       PRO  22   1.441  -4.724   4.457
  193   2HG   PRO  22          HG1       PRO  22   1.614  -6.480   4.278
  194   1HD   PRO  22          HD2       PRO  22   3.017  -4.695   2.782
  195   2HD   PRO  22          HD1       PRO  22   2.556  -6.303   2.191
  196    H    VAL  23           HN       VAL  23  -2.163  -3.584   1.199
  197    HA   VAL  23           HA       VAL  23  -1.677  -1.111   2.724
  198    HB   VAL  23           HB       VAL  23  -2.900   0.102   0.971
  199   1HG1  VAL  23          HG11      VAL  23  -0.611  -1.539  -0.096
  200   2HG1  VAL  23          HG12      VAL  23  -0.480  -0.034   0.817
  201   3HG1  VAL  23          HG13      VAL  23  -1.208  -0.032  -0.790
  202   1HG2  VAL  23          HG21      VAL  23  -3.433  -0.982  -1.155
  203   2HG2  VAL  23          HG22      VAL  23  -4.330  -1.706   0.179
  204   3HG2  VAL  23          HG23      VAL  23  -2.925  -2.534  -0.492
  205    H    LYS  24           HN       LYS  24  -3.561   0.019   3.479
  206    HA   LYS  24           HA       LYS  24  -6.032  -1.555   3.581
  207   1HB   LYS  24          HB2       LYS  24  -6.222  -0.998   6.034
  208   2HB   LYS  24          HB1       LYS  24  -4.978  -2.173   5.630
  209   1HG   LYS  24          HG2       LYS  24  -3.251  -0.545   5.886
  210   2HG   LYS  24          HG1       LYS  24  -4.431   0.755   6.054
  211   1HD   LYS  24          HD2       LYS  24  -3.495   0.110   8.218
  212   2HD   LYS  24          HD1       LYS  24  -5.226  -0.220   8.140
  213   1HE   LYS  24          HE2       LYS  24  -4.740  -2.581   7.666
  214   2HE   LYS  24          HE1       LYS  24  -3.013  -2.237   7.769
  215   1HZ   LYS  24          HZ1       LYS  24  -4.968  -1.863   9.978
  216   2HZ   LYS  24          HZ2       LYS  24  -3.293  -1.606  10.072
  217   3HZ   LYS  24          HZ3       LYS  24  -3.901  -3.175   9.833
  218    H    SER  25           HN       SER  25  -7.804  -0.200   4.651
  219    HA   SER  25           HA       SER  25  -7.590   2.563   3.668
  220   1HB   SER  25          HB2       SER  25 -10.091   0.925   4.154
  221   2HB   SER  25          HB1       SER  25  -9.999   2.510   3.384
  222    HG   SER  25           HG       SER  25  -8.551   0.325   2.346
  223    H    ASN  26           HN       ASN  26  -7.715   4.183   5.087
  224    HA   ASN  26           HA       ASN  26  -7.892   3.657   7.890
  225   1HB   ASN  26          HB2       ASN  26  -7.551   6.029   8.187
  226   2HB   ASN  26          HB1       ASN  26  -6.493   5.479   6.893
  227   1HD2  ASN  26          HD21      ASN  26  -7.491   8.143   7.458
  228   2HD2  ASN  26          HD22      ASN  26  -8.321   8.658   6.031
  229    H    LYS  27           HN       LYS  27 -10.148   4.455   5.437
  230    HA   LYS  27           HA       LYS  27 -12.228   4.939   7.464
  231   1HB   LYS  27          HB2       LYS  27 -11.518   6.516   5.264
  232   2HB   LYS  27          HB1       LYS  27 -12.966   5.666   4.744
  233   1HG   LYS  27          HG2       LYS  27 -13.561   7.799   5.691
  234   2HG   LYS  27          HG1       LYS  27 -14.147   6.505   6.734
  235   1HD   LYS  27          HD2       LYS  27 -13.169   8.310   8.052
  236   2HD   LYS  27          HD1       LYS  27 -12.232   6.827   8.220
  237   1HE   LYS  27          HE2       LYS  27 -10.719   8.676   7.978
  238   2HE   LYS  27          HE1       LYS  27 -10.648   7.689   6.520
  239   1HZ   LYS  27          HZ1       LYS  27 -12.197   9.306   5.479
  240   2HZ   LYS  27          HZ2       LYS  27 -10.695   9.972   5.892
  241   3HZ   LYS  27          HZ3       LYS  27 -12.052  10.285   6.856
  242    HA   PRO  28           HA       PRO  28 -13.797   0.997   6.186
  243   1HB   PRO  28          HB2       PRO  28 -16.375   1.270   7.066
  244   2HB   PRO  28          HB1       PRO  28 -15.008   0.923   8.133
  245   1HG   PRO  28          HG2       PRO  28 -16.369   3.530   7.582
  246   2HG   PRO  28          HG1       PRO  28 -15.787   2.872   9.124
  247   1HD   PRO  28          HD2       PRO  28 -14.405   4.738   7.738
  248   2HD   PRO  28          HD1       PRO  28 -13.600   3.487   8.707
  249    H    VAL  29           HN       VAL  29 -14.126   0.561   4.155
  250    HA   VAL  29           HA       VAL  29 -16.029   2.159   2.583
  251    HB   VAL  29           HB       VAL  29 -14.804   1.051   0.619
  252   1HG1  VAL  29          HG11      VAL  29 -14.526   3.404   1.229
  253   2HG1  VAL  29          HG12      VAL  29 -13.004   2.707   0.678
  254   3HG1  VAL  29          HG13      VAL  29 -13.289   2.953   2.402
  255   1HG2  VAL  29          HG21      VAL  29 -12.826   0.484   2.809
  256   2HG2  VAL  29          HG22      VAL  29 -12.511   0.334   1.080
  257   3HG2  VAL  29          HG23      VAL  29 -13.703  -0.712   1.852
  258    H    GLU  30           HN       GLU  30 -17.522   1.129   1.227
  259    HA   GLU  30           HA       GLU  30 -18.720  -1.167   2.335
  260   1HB   GLU  30          HB2       GLU  30 -19.234  -0.053  -0.424
  261   2HB   GLU  30          HB1       GLU  30 -20.320  -1.041   0.540
  262   1HG   GLU  30          HG2       GLU  30 -21.236   1.007   0.887
  263   2HG   GLU  30          HG1       GLU  30 -20.103   0.952   2.235
  264    H    ILE  31           HN       ILE  31 -18.781  -3.269   1.723
  265    HA   ILE  31           HA       ILE  31 -16.576  -4.281   0.190
  266    HB   ILE  31           HB       ILE  31 -17.558  -6.506   0.653
  267   1HG1  ILE  31          HG12      ILE  31 -19.663  -4.952   2.174
  268   2HG1  ILE  31          HG11      ILE  31 -19.939  -5.755   0.632
  269   1HG2  ILE  31          HG21      ILE  31 -15.994  -5.492   2.216
  270   2HG2  ILE  31          HG22      ILE  31 -17.206  -6.440   3.077
  271   3HG2  ILE  31          HG23      ILE  31 -17.324  -4.681   3.041
  272   1HD1  ILE  31          HD11      ILE  31 -19.419  -7.902   1.670
  273   2HD1  ILE  31          HD12      ILE  31 -20.768  -7.092   2.465
  274   3HD1  ILE  31          HD13      ILE  31 -19.171  -7.090   3.214
  275    H    SER  32           HN       SER  32 -18.827  -2.689  -1.085
  276    HA   SER  32           HA       SER  32 -19.328  -4.560  -3.295
  277   1HB   SER  32          HB2       SER  32 -20.812  -2.006  -2.616
  278   2HB   SER  32          HB1       SER  32 -21.217  -3.133  -3.911
  279    HG   SER  32           HG       SER  32 -22.209  -4.342  -2.516
  280    H    LYS  33           HN       LYS  33 -17.176  -2.388  -2.369
  281    HA   LYS  33           HA       LYS  33 -17.058  -0.913  -4.910
  282   1HB   LYS  33          HB2       LYS  33 -15.764  -0.314  -2.241
  283   2HB   LYS  33          HB1       LYS  33 -15.573   0.656  -3.695
  284   1HG   LYS  33          HG2       LYS  33 -18.183   0.150  -2.277
  285   2HG   LYS  33          HG1       LYS  33 -17.207   1.611  -2.135
  286   1HD   LYS  33          HD2       LYS  33 -18.287   0.587  -4.753
  287   2HD   LYS  33          HD1       LYS  33 -19.140   1.755  -3.742
  288   1HE   LYS  33          HE2       LYS  33 -17.415   3.366  -4.002
  289   2HE   LYS  33          HE1       LYS  33 -16.324   2.181  -4.720
  290   1HZ   LYS  33          HZ1       LYS  33 -18.893   2.898  -5.997
  291   2HZ   LYS  33          HZ2       LYS  33 -17.531   2.153  -6.696
  292   3HZ   LYS  33          HZ3       LYS  33 -17.481   3.795  -6.274
  293    H    TRP  34           HN       TRP  34 -16.010  -3.712  -4.100
  294    HA   TRP  34           HA       TRP  34 -13.245  -3.805  -4.053
  295   1HB   TRP  34          HB2       TRP  34 -15.184  -5.673  -5.428
  296   2HB   TRP  34          HB1       TRP  34 -13.472  -6.017  -5.236
  297    HD1  TRP  34           HD1      TRP  34 -16.757  -6.046  -3.367
  298    HE1  TRP  34           HE1      TRP  34 -16.415  -7.168  -1.078
  299    HE3  TRP  34           HE3      TRP  34 -11.653  -6.352  -3.373
  300    HZ2  TRP  34           HZ2      TRP  34 -14.266  -8.057   0.517
  301    HZ3  TRP  34           HZ3      TRP  34 -10.530  -7.359  -1.427
  302    HH2  TRP  34           HH2      TRP  34 -11.813  -8.193   0.476
  303    H    ILE  35           HN       ILE  35 -15.391  -3.690  -6.859
  304    HA   ILE  35           HA       ILE  35 -13.527  -4.076  -8.867
  305    HB   ILE  35           HB       ILE  35 -15.817  -4.206  -9.432
  306   1HG1  ILE  35          HG12      ILE  35 -14.706  -1.718 -10.749
  307   2HG1  ILE  35          HG11      ILE  35 -14.353  -3.375 -11.228
  308   1HG2  ILE  35          HG21      ILE  35 -16.750  -2.733  -7.764
  309   2HG2  ILE  35          HG22      ILE  35 -17.362  -2.298  -9.361
  310   3HG2  ILE  35          HG23      ILE  35 -16.099  -1.325  -8.604
  311   1HD1  ILE  35          HD11      ILE  35 -15.987  -2.391 -12.703
  312   2HD1  ILE  35          HD12      ILE  35 -17.039  -2.022 -11.338
  313   3HD1  ILE  35          HD13      ILE  35 -16.719  -3.700 -11.776
  314    H    ASP  36           HN       ASP  36 -14.617  -0.976  -7.497
  315    HA   ASP  36           HA       ASP  36 -13.157   0.618  -9.306
  316   1HB   ASP  36          HB2       ASP  36 -14.261   1.288  -6.574
  317   2HB   ASP  36          HB1       ASP  36 -13.597   2.471  -7.696
  318    H    PHE  37           HN       PHE  37 -12.466  -0.389  -5.969
  319    HA   PHE  37           HA       PHE  37 -10.019   1.027  -5.821
  320   1HB   PHE  37          HB2       PHE  37 -11.191  -1.208  -4.185
  321   2HB   PHE  37          HB1       PHE  37  -9.576  -0.582  -3.867
  322    HD1  PHE  37           HD2      PHE  37  -9.265   1.725  -3.102
  323    HD2  PHE  37           HD1      PHE  37 -13.144   0.048  -3.604
  324    HE1  PHE  37           HE2      PHE  37 -10.222   3.550  -1.758
  325    HE2  PHE  37           HE1      PHE  37 -14.110   1.872  -2.262
  326    HZ   PHE  37           HZ       PHE  37 -12.647   3.626  -1.335
  327    H    SER  38           HN       SER  38 -10.837  -2.255  -6.814
  328    HA   SER  38           HA       SER  38  -8.212  -3.262  -6.935
  329   1HB   SER  38          HB2       SER  38 -10.620  -4.037  -8.598
  330   2HB   SER  38          HB1       SER  38  -9.133  -4.977  -8.457
  331    HG   SER  38           HG       SER  38 -10.966  -4.331  -6.381
  332    H    ASN  39           HN       ASN  39 -10.187  -1.540  -9.311
  333    HA   ASN  39           HA       ASN  39  -8.404  -1.756 -11.482
  334   1HB   ASN  39          HB2       ASN  39 -10.485   0.343 -10.843
  335   2HB   ASN  39          HB1       ASN  39  -9.601   0.276 -12.363
  336   1HD2  ASN  39          HD21      ASN  39 -12.452   0.056 -11.872
  337   2HD2  ASN  39          HD22      ASN  39 -12.934  -1.474 -12.518
  338    H    VAL  40           HN       VAL  40  -8.713   0.651  -8.916
  339    HA   VAL  40           HA       VAL  40  -6.815   2.462  -9.978
  340    HB   VAL  40           HB       VAL  40  -7.718   2.129  -7.112
  341   1HG1  VAL  40          HG11      VAL  40  -7.028   4.480  -6.854
  342   2HG1  VAL  40          HG12      VAL  40  -6.361   4.447  -8.490
  343   3HG1  VAL  40          HG13      VAL  40  -5.670   3.421  -7.232
  344   1HG2  VAL  40          HG21      VAL  40  -9.268   3.963  -7.622
  345   2HG2  VAL  40          HG22      VAL  40  -9.587   2.532  -8.600
  346   3HG2  VAL  40          HG23      VAL  40  -8.753   3.914  -9.308
  347    H    LEU  41           HN       LEU  41  -6.572  -0.031  -7.443
  348    HA   LEU  41           HA       LEU  41  -3.851   0.476  -6.859
  349   1HB   LEU  41          HB2       LEU  41  -5.511  -1.997  -6.397
  350   2HB   LEU  41          HB1       LEU  41  -3.910  -1.739  -5.731
  351    HG   LEU  41           HG       LEU  41  -6.364  -0.089  -5.124
  352   1HD1  LEU  41          HD11      LEU  41  -6.458  -2.282  -4.108
  353   2HD1  LEU  41          HD12      LEU  41  -6.139  -1.057  -2.880
  354   3HD1  LEU  41          HD13      LEU  41  -4.828  -2.080  -3.467
  355   1HD2  LEU  41          HD21      LEU  41  -4.338   1.269  -5.073
  356   2HD2  LEU  41          HD22      LEU  41  -3.566   0.092  -4.011
  357   3HD2  LEU  41          HD23      LEU  41  -4.963   1.005  -3.446
  358    H    SER  42           HN       SER  42  -5.428  -1.516  -9.254
  359    HA   SER  42           HA       SER  42  -3.123  -3.051  -9.937
  360   1HB   SER  42          HB2       SER  42  -5.529  -3.679 -10.419
  361   2HB   SER  42          HB1       SER  42  -5.514  -2.466 -11.697
  362    HG   SER  42           HG       SER  42  -4.624  -3.914 -12.914
  363    H    ARG  43           HN       ARG  43  -4.178   0.129 -10.629
  364    HA   ARG  43           HA       ARG  43  -2.333   0.387 -12.898
  365   1HB   ARG  43          HB2       ARG  43  -4.664   2.030 -11.932
  366   2HB   ARG  43          HB1       ARG  43  -3.494   2.682 -13.070
  367   1HG   ARG  43          HG2       ARG  43  -4.042   1.024 -14.693
  368   2HG   ARG  43          HG1       ARG  43  -5.054   0.156 -13.537
  369   1HD   ARG  43          HD2       ARG  43  -6.218   1.651 -15.257
  370   2HD   ARG  43          HD1       ARG  43  -6.708   1.797 -13.572
  371    HE   ARG  43           HE       ARG  43  -5.269   3.810 -13.475
  372   1HH1  ARG  43          HH11      ARG  43  -6.379   2.661 -16.605
  373   2HH1  ARG  43          HH12      ARG  43  -6.362   4.249 -17.319
  374   1HH2  ARG  43          HH21      ARG  43  -5.259   5.876 -14.429
  375   2HH2  ARG  43          HH22      ARG  43  -5.717   6.066 -16.095
  376    H    LEU  44           HN       LEU  44  -2.256   0.693  -9.649
  377    HA   LEU  44           HA       LEU  44  -0.626   3.132  -9.689
  378   1HB   LEU  44          HB2       LEU  44  -2.561   3.203  -8.187
  379   2HB   LEU  44          HB1       LEU  44  -1.986   1.762  -7.369
  380    HG   LEU  44           HG       LEU  44   0.014   3.009  -6.618
  381   1HD1  LEU  44          HD11      LEU  44   0.117   4.651  -8.420
  382   2HD1  LEU  44          HD12      LEU  44   0.075   5.436  -6.842
  383   3HD1  LEU  44          HD13      LEU  44  -1.376   5.389  -7.841
  384   1HD2  LEU  44          HD21      LEU  44  -1.980   2.837  -5.199
  385   2HD2  LEU  44          HD22      LEU  44  -2.598   4.331  -5.903
  386   3HD2  LEU  44          HD23      LEU  44  -1.119   4.354  -4.943
  387    H    TYR  45           HN       TYR  45   1.315   2.246 -10.333
  388    HA   TYR  45           HA       TYR  45   2.497   0.229  -8.581
  389   1HB   TYR  45          HB2       TYR  45   3.359   1.393 -11.226
  390   2HB   TYR  45          HB1       TYR  45   4.432   0.401 -10.244
  391    HD1  TYR  45           HD2      TYR  45   1.339   0.404 -12.251
  392    HD2  TYR  45           HD1      TYR  45   4.114  -1.966 -10.063
  393    HE1  TYR  45           HE2      TYR  45   0.360  -1.632 -13.225
  394    HE2  TYR  45           HE1      TYR  45   3.142  -4.007 -11.029
  395    HH   TYR  45           HH       TYR  45   0.961  -3.935 -13.673
  396    H    VAL  46           HN       VAL  46   2.838   1.365  -6.736
  397    HA   VAL  46           HA       VAL  46   4.522   3.761  -6.899
  398    HB   VAL  46           HB       VAL  46   2.439   4.040  -5.639
  399   1HG1  VAL  46          HG11      VAL  46   2.076   2.857  -3.519
  400   2HG1  VAL  46          HG12      VAL  46   3.492   1.857  -3.841
  401   3HG1  VAL  46          HG13      VAL  46   2.084   1.761  -4.899
  402   1HG2  VAL  46          HG21      VAL  46   4.886   4.066  -3.876
  403   2HG2  VAL  46          HG22      VAL  46   3.379   4.919  -3.545
  404   3HG2  VAL  46          HG23      VAL  46   4.351   5.360  -4.951
  405    H    GLY  47           HN       GLY  47   6.529   3.816  -5.954
  406   1HA   GLY  47          HA2       GLY  47   7.486   1.236  -4.887
  407   2HA   GLY  47          HA1       GLY  47   8.492   2.381  -5.764
  408    H    VAL  48           HN       VAL  48   9.958   3.050  -4.407
  409    HA   VAL  48           HA       VAL  48  10.923   4.277  -2.746
  410    HB   VAL  48           HB       VAL  48   8.074   4.989  -2.023
  411   1HG1  VAL  48          HG11      VAL  48  10.641   6.260  -1.078
  412   2HG1  VAL  48          HG12      VAL  48   9.530   5.308  -0.092
  413   3HG1  VAL  48          HG13      VAL  48   9.013   6.857  -0.758
  414   1HG2  VAL  48          HG21      VAL  48   8.723   5.725  -4.244
  415   2HG2  VAL  48          HG22      VAL  48  10.169   6.489  -3.584
  416   3HG2  VAL  48          HG23      VAL  48   8.573   7.104  -3.154
  417    HA   PRO  49           HA       PRO  49  10.854   1.487   0.783
  418   1HB   PRO  49          HB2       PRO  49  12.759   2.713   2.254
  419   2HB   PRO  49          HB1       PRO  49  13.145   1.732   0.835
  420   1HG   PRO  49          HG2       PRO  49  12.965   4.708   1.087
  421   2HG   PRO  49          HG1       PRO  49  14.159   3.728   0.218
  422   1HD   PRO  49          HD2       PRO  49  12.062   4.970  -1.006
  423   2HD   PRO  49          HD1       PRO  49  12.805   3.478  -1.616
  424    H    THR  50           HN       THR  50   8.839   1.899   1.665
  425    HA   THR  50           HA       THR  50   8.576   4.293   3.333
  426    HB   THR  50           HB       THR  50   6.078   3.602   3.218
  427    HG1  THR  50           HG1      THR  50   5.805   2.587   0.999
  428   1HG2  THR  50          HG21      THR  50   7.518   4.662   0.781
  429   2HG2  THR  50          HG22      THR  50   6.989   5.615   2.168
  430   3HG2  THR  50          HG23      THR  50   5.797   4.849   1.116
  431    H    LYS  51           HN       LYS  51   7.248   4.036   5.319
  432    HA   LYS  51           HA       LYS  51   7.679   1.398   6.555
  433   1HB   LYS  51          HB2       LYS  51   7.681   4.124   7.866
  434   2HB   LYS  51          HB1       LYS  51   7.801   2.597   8.729
  435   1HG   LYS  51          HG2       LYS  51   9.898   2.121   7.479
  436   2HG   LYS  51          HG1       LYS  51   9.793   3.734   6.774
  437   1HD   LYS  51          HD2       LYS  51   9.973   3.122   9.723
  438   2HD   LYS  51          HD1       LYS  51  11.310   3.659   8.707
  439   1HE   LYS  51          HE2       LYS  51  10.164   5.752   8.265
  440   2HE   LYS  51          HE1       LYS  51   8.770   5.211   9.198
  441   1HZ   LYS  51          HZ1       LYS  51  11.504   5.673  10.265
  442   2HZ   LYS  51          HZ2       LYS  51  10.178   5.120  11.167
  443   3HZ   LYS  51          HZ3       LYS  51  10.158   6.679  10.497
  444    H    SER  52           HN       SER  52   6.145   1.303   8.628
  445    HA   SER  52           HA       SER  52   3.565   0.960   7.583
  446   1HB   SER  52          HB2       SER  52   4.458  -0.354   9.472
  447   2HB   SER  52          HB1       SER  52   4.420   1.086  10.486
  448    HG   SER  52           HG       SER  52   2.380   0.772  10.813
  449    H    GLY  53           HN       GLY  53   1.837   2.228   7.463
  450   1HA   GLY  53          HA2       GLY  53   0.353   3.909   8.192
  451   2HA   GLY  53          HA1       GLY  53   1.643   4.591   9.172
  452    H    ASN  54           HN       ASN  54   2.245   3.720   5.866
  453    HA   ASN  54           HA       ASN  54   2.628   6.572   5.296
  454   1HB   ASN  54          HB2       ASN  54   4.002   5.950   3.439
  455   2HB   ASN  54          HB1       ASN  54   4.487   4.959   4.806
  456   1HD2  ASN  54          HD21      ASN  54   4.124   2.754   4.754
  457   2HD2  ASN  54          HD22      ASN  54   3.675   1.927   3.300
  458    H    VAL  55           HN       VAL  55   1.220   7.706   4.128
  459    HA   VAL  55           HA       VAL  55  -0.984   6.320   2.844
  460    HB   VAL  55           HB       VAL  55  -0.495   9.301   2.802
  461   1HG1  VAL  55          HG11      VAL  55  -3.015   7.674   2.526
  462   2HG1  VAL  55          HG12      VAL  55  -2.127   8.434   1.206
  463   3HG1  VAL  55          HG13      VAL  55  -2.895   9.433   2.441
  464   1HG2  VAL  55          HG21      VAL  55  -2.029   7.738   4.874
  465   2HG2  VAL  55          HG22      VAL  55  -2.019   9.496   4.710
  466   3HG2  VAL  55          HG23      VAL  55  -0.534   8.638   5.137
  467    H    VAL  56           HN       VAL  56  -0.541   5.484   0.871
  468    HA   VAL  56           HA       VAL  56   1.309   6.782  -0.920
  469    HB   VAL  56           HB       VAL  56   0.511   5.050  -2.589
  470   1HG1  VAL  56          HG11      VAL  56   1.707   3.219  -1.488
  471   2HG1  VAL  56          HG12      VAL  56   1.606   4.084   0.046
  472   3HG1  VAL  56          HG13      VAL  56   2.539   4.760  -1.290
  473   1HG2  VAL  56          HG21      VAL  56  -1.687   4.602  -1.646
  474   2HG2  VAL  56          HG22      VAL  56  -0.944   3.971  -0.177
  475   3HG2  VAL  56          HG23      VAL  56  -0.724   3.127  -1.711
  476    H    CYS  57           HN       CYS  57  -2.188   6.409  -0.668
  477    HA   CYS  57           HA       CYS  57  -2.455   8.646  -2.553
  478   1HB   CYS  57          HB2       CYS  57  -3.073   6.451  -3.629
  479   2HB   CYS  57          HB1       CYS  57  -4.362   6.297  -2.441
  480    HG   CYS  57           HG       CYS  57  -4.123   8.464  -5.050
  481    H    LYS  58           HN       LYS  58  -3.046  10.264  -1.264
  482    HA   LYS  58           HA       LYS  58  -4.758   9.746   1.033
  483   1HB   LYS  58          HB2       LYS  58  -2.617  11.198   1.032
  484   2HB   LYS  58          HB1       LYS  58  -3.603  12.413   0.233
  485   1HG   LYS  58          HG2       LYS  58  -4.624  11.236   2.757
  486   2HG   LYS  58          HG1       LYS  58  -3.268  12.360   2.850
  487   1HD   LYS  58          HD2       LYS  58  -4.540  14.065   1.740
  488   2HD   LYS  58          HD1       LYS  58  -5.870  12.942   1.454
  489   1HE   LYS  58          HE2       LYS  58  -4.899  13.606   4.217
  490   2HE   LYS  58          HE1       LYS  58  -6.109  14.588   3.392
  491   1HZ   LYS  58          HZ1       LYS  58  -7.560  12.713   3.260
  492   2HZ   LYS  58          HZ2       LYS  58  -7.056  12.873   4.864
  493   3HZ   LYS  58          HZ3       LYS  58  -6.380  11.669   3.882
  494    H    ASN  59           HN       ASN  59  -6.858  10.289   1.127
  495    HA   ASN  59           HA       ASN  59  -8.950  10.751   0.375
  496   1HB   ASN  59          HB2       ASN  59  -7.384  13.043  -0.727
  497   2HB   ASN  59          HB1       ASN  59  -9.038  12.822  -1.279
  498   1HD2  ASN  59          HD21      ASN  59  -9.780  14.675  -0.332
  499   2HD2  ASN  59          HD22      ASN  59  -9.940  14.854   1.385
  500    H    ILE  60           HN       ILE  60  -7.834   8.657  -0.906
  501    HA   ILE  60           HA       ILE  60  -7.750   8.816  -3.713
  502    HB   ILE  60           HB       ILE  60  -6.858   6.875  -2.500
  503   1HG1  ILE  60          HG12      ILE  60  -9.085   6.144  -4.416
  504   2HG1  ILE  60          HG11      ILE  60  -7.463   6.647  -4.876
  505   1HG2  ILE  60          HG21      ILE  60  -8.548   6.690  -0.758
  506   2HG2  ILE  60          HG22      ILE  60  -8.350   5.157  -1.605
  507   3HG2  ILE  60          HG23      ILE  60  -9.741   6.183  -1.953
  508   1HD1  ILE  60          HD11      ILE  60  -7.721   4.244  -5.055
  509   2HD1  ILE  60          HD12      ILE  60  -8.176   4.151  -3.354
  510   3HD1  ILE  60          HD13      ILE  60  -6.546   4.652  -3.805
  511    H    MET  61           HN       MET  61  -9.273   8.742  -5.264
  512    HA   MET  61           HA       MET  61 -11.298   8.834  -6.286
  513   1HB   MET  61          HB2       MET  61 -11.983   7.088  -3.936
  514   2HB   MET  61          HB1       MET  61 -13.221   7.589  -5.079
  515   1HG   MET  61          HG2       MET  61 -10.699   6.229  -5.958
  516   2HG   MET  61          HG1       MET  61 -12.123   5.329  -5.447
  517   1HE   MET  61          HE1       MET  61 -12.493   4.059  -7.630
  518   2HE   MET  61          HE2       MET  61 -10.980   4.728  -8.239
  519   3HE   MET  61          HE3       MET  61 -12.431   4.782  -9.238
  520    H    ASN  62           HN       ASN  62 -10.475  10.615  -3.847
  521    HA   ASN  62           HA       ASN  62 -11.220  12.490  -2.830
  522   1HB   ASN  62          HB2       ASN  62 -12.957  12.369  -5.268
  523   2HB   ASN  62          HB1       ASN  62 -13.231  13.626  -4.065
  524   1HD2  ASN  62          HD21      ASN  62 -11.040  12.378  -6.471
  525   2HD2  ASN  62          HD22      ASN  62 -10.007  13.769  -6.530
  526    H    THR  63           HN       THR  63 -12.341   9.892  -2.003
  527    HA   THR  63           HA       THR  63 -14.916  10.774  -0.913
  528    HB   THR  63           HB       THR  63 -14.928   8.577  -2.005
  529    HG1  THR  63           HG1      THR  63 -16.239   7.804  -0.516
  530   1HG2  THR  63          HG21      THR  63 -12.626   7.900  -1.609
  531   2HG2  THR  63          HG22      THR  63 -13.738   6.677  -0.992
  532   3HG2  THR  63          HG23      THR  63 -12.939   7.787   0.123
  533    H    GLY  64           HN       GLY  64 -11.677  10.670  -0.110
  534   1HA   GLY  64          HA2       GLY  64 -10.892  11.700   1.879
  535   2HA   GLY  64          HA1       GLY  64 -12.369  11.203   2.686
  536    H    VAL  65           HN       VAL  65 -11.231   8.626   0.925
  537    HA   VAL  65           HA       VAL  65 -10.200   7.349   3.315
  538    HB   VAL  65           HB       VAL  65 -10.597   6.260   0.512
  539   1HG1  VAL  65          HG11      VAL  65  -8.799   5.069   1.635
  540   2HG1  VAL  65          HG12      VAL  65 -10.233   4.049   1.526
  541   3HG1  VAL  65          HG13      VAL  65  -9.820   4.827   3.053
  542   1HG2  VAL  65          HG21      VAL  65 -12.677   6.800   1.685
  543   2HG2  VAL  65          HG22      VAL  65 -12.159   5.810   3.048
  544   3HG2  VAL  65          HG23      VAL  65 -12.480   5.059   1.487
  545    H    ASP  66           HN       ASP  66  -8.144   7.039   3.774
  546    HA   ASP  66           HA       ASP  66  -6.139   7.852   1.788
  547   1HB   ASP  66          HB2       ASP  66  -5.909   7.681   4.805
  548   2HB   ASP  66          HB1       ASP  66  -4.639   8.221   3.708
  549    H    ILE  67           HN       ILE  67  -5.322   6.159   0.763
  550    HA   ILE  67           HA       ILE  67  -5.377   3.521   1.917
  551    HB   ILE  67           HB       ILE  67  -4.064   4.460  -0.645
  552   1HG1  ILE  67          HG12      ILE  67  -6.471   4.839  -0.707
  553   2HG1  ILE  67          HG11      ILE  67  -6.063   3.474  -1.742
  554   1HG2  ILE  67          HG21      ILE  67  -4.735   1.674   0.297
  555   2HG2  ILE  67          HG22      ILE  67  -3.119   2.367   0.177
  556   3HG2  ILE  67          HG23      ILE  67  -4.073   2.099  -1.281
  557   1HD1  ILE  67          HD11      ILE  67  -7.223   3.313   1.032
  558   2HD1  ILE  67          HD12      ILE  67  -6.795   1.935   0.016
  559   3HD1  ILE  67          HD13      ILE  67  -8.082   3.034  -0.481
  560    H    ILE  68           HN       ILE  68  -3.998   3.011   3.444
  561    HA   ILE  68           HA       ILE  68  -1.269   4.102   3.289
  562    HB   ILE  68           HB       ILE  68  -1.169   3.818   5.756
  563   1HG1  ILE  68          HG12      ILE  68  -4.142   3.308   5.486
  564   2HG1  ILE  68          HG11      ILE  68  -2.939   2.126   5.995
  565   1HG2  ILE  68          HG21      ILE  68  -1.638   5.988   4.769
  566   2HG2  ILE  68          HG22      ILE  68  -2.529   5.789   6.277
  567   3HG2  ILE  68          HG23      ILE  68  -3.362   5.616   4.733
  568   1HD1  ILE  68          HD11      ILE  68  -3.671   4.649   7.455
  569   2HD1  ILE  68          HD12      ILE  68  -2.445   3.488   7.960
  570   3HD1  ILE  68          HD13      ILE  68  -4.141   3.010   7.899
  571    H    CYS  69           HN       CYS  69   0.404   2.752   3.341
  572    HA   CYS  69           HA       CYS  69  -0.131  -0.112   3.463
  573   1HB   CYS  69          HB2       CYS  69   2.621   0.984   3.095
  574   2HB   CYS  69          HB1       CYS  69   1.858  -0.420   2.348
  575    HG   CYS  69           HG       CYS  69   2.008   2.749   1.290
  576    H    THR  70           HN       THR  70   0.583  -1.413   5.129
  577    HA   THR  70           HA       THR  70   1.590   0.090   7.454
  578    HB   THR  70           HB       THR  70  -0.647  -0.842   7.782
  579    HG1  THR  70           HG1      THR  70   1.537  -1.698   9.282
  580   1HG2  THR  70          HG21      THR  70  -1.034  -3.256   7.821
  581   2HG2  THR  70          HG22      THR  70   0.624  -3.535   7.292
  582   3HG2  THR  70          HG23      THR  70  -0.516  -2.718   6.223
  583    H    LYS  71           HN       LYS  71   2.881  -1.708   5.159
  584    HA   LYS  71           HA       LYS  71   4.525  -3.297   6.991
  585   1HB   LYS  71          HB2       LYS  71   3.509  -4.449   5.010
  586   2HB   LYS  71          HB1       LYS  71   4.496  -3.427   3.973
  587   1HG   LYS  71          HG2       LYS  71   6.491  -4.400   4.726
  588   2HG   LYS  71          HG1       LYS  71   5.694  -5.156   6.103
  589   1HD   LYS  71          HD2       LYS  71   4.382  -6.532   4.467
  590   2HD   LYS  71          HD1       LYS  71   5.425  -5.887   3.194
  591   1HE   LYS  71          HE2       LYS  71   6.168  -8.093   4.042
  592   2HE   LYS  71          HE1       LYS  71   7.375  -6.825   4.249
  593   1HZ   LYS  71          HZ1       LYS  71   6.655  -6.595   6.562
  594   2HZ   LYS  71          HZ2       LYS  71   7.218  -8.158   6.239
  595   3HZ   LYS  71          HZ3       LYS  71   5.551  -7.866   6.354
  596    H    ASN  72           HN       ASN  72   6.798  -3.130   6.940
  597    HA   ASN  72           HA       ASN  72   7.696  -0.461   6.096
  598   1HB   ASN  72          HB2       ASN  72   8.946  -2.402   8.061
  599   2HB   ASN  72          HB1       ASN  72   9.609  -0.828   7.647
  600   1HD2  ASN  72          HD21      ASN  72   6.213  -1.668   8.231
  601   2HD2  ASN  72          HD22      ASN  72   6.030  -0.673   9.628
  602    H    LEU  73           HN       LEU  73   9.041  -0.254   4.423
  603    HA   LEU  73           HA       LEU  73  10.140  -2.742   3.284
  604   1HB   LEU  73          HB2       LEU  73   9.462  -0.126   1.946
  605   2HB   LEU  73          HB1       LEU  73  10.186  -1.498   1.138
  606    HG   LEU  73           HG       LEU  73   7.945  -1.608   0.533
  607   1HD1  LEU  73          HD11      LEU  73   7.025  -3.572   1.636
  608   2HD1  LEU  73          HD12      LEU  73   8.211  -3.401   2.931
  609   3HD1  LEU  73          HD13      LEU  73   8.744  -3.753   1.285
  610   1HD2  LEU  73          HD21      LEU  73   7.093   0.076   2.059
  611   2HD2  LEU  73          HD22      LEU  73   7.181  -1.070   3.396
  612   3HD2  LEU  73          HD23      LEU  73   6.065  -1.357   2.061
  613    HA   PRO  74           HA       PRO  74  14.162  -0.919   4.122
  614   1HB   PRO  74          HB2       PRO  74  15.231  -3.401   3.045
  615   2HB   PRO  74          HB1       PRO  74  15.311  -2.783   4.698
  616   1HG   PRO  74          HG2       PRO  74  13.833  -4.953   3.995
  617   2HG   PRO  74          HG1       PRO  74  13.401  -3.879   5.337
  618   1HD   PRO  74          HD2       PRO  74  12.305  -3.969   2.549
  619   2HD   PRO  74          HD1       PRO  74  11.448  -3.742   4.091
  620    H    LYS  75           HN       LYS  75  15.644   0.074   2.824
  621    HA   LYS  75           HA       LYS  75  15.163  -0.055  -0.054
  622   1HB   LYS  75          HB2       LYS  75  15.227   2.141   1.228
  623   2HB   LYS  75          HB1       LYS  75  16.952   1.875   1.435
  624   1HG   LYS  75          HG2       LYS  75  17.176   1.808  -1.043
  625   2HG   LYS  75          HG1       LYS  75  15.476   2.256  -1.159
  626   1HD   LYS  75          HD2       LYS  75  15.988   4.306   0.151
  627   2HD   LYS  75          HD1       LYS  75  17.697   3.867   0.093
  628   1HE   LYS  75          HE2       LYS  75  15.903   4.473  -2.255
  629   2HE   LYS  75          HE1       LYS  75  17.211   5.481  -1.640
  630   1HZ   LYS  75          HZ1       LYS  75  17.903   4.255  -3.594
  631   2HZ   LYS  75          HZ2       LYS  75  17.521   2.778  -2.851
  632   3HZ   LYS  75          HZ3       LYS  75  18.781   3.731  -2.241
  633    H    ASP  76           HN       ASP  76  17.076   0.051  -1.496
  634    HA   ASP  76           HA       ASP  76  19.028  -1.940  -0.917
  635   1HB   ASP  76          HB2       ASP  76  19.929  -1.409  -3.099
  636   2HB   ASP  76          HB1       ASP  76  18.170  -1.386  -3.210
  637    H    SER  77           HN       SER  77  21.410  -1.407  -1.304
  638    HA   SER  77           HA       SER  77  22.122   1.058   0.122
  639   1HB   SER  77          HB2       SER  77  22.819  -1.003   1.275
  640   2HB   SER  77          HB1       SER  77  23.693  -1.517  -0.166
  641    HG   SER  77           HG       SER  77  24.674  -0.145   1.779
  642    H    LEU  78           HN       LEU  78  23.150   2.595  -0.991
  643    HA   LEU  78           HA       LEU  78  23.654   2.349  -3.755
  644   1HB   LEU  78          HB2       LEU  78  24.553   4.441  -1.775
  645   2HB   LEU  78          HB1       LEU  78  24.749   4.578  -3.512
  646    HG   LEU  78           HG       LEU  78  22.093   4.365  -2.092
  647   1HD1  LEU  78          HD11      LEU  78  21.830   6.726  -2.650
  648   2HD1  LEU  78          HD12      LEU  78  23.462   6.755  -3.319
  649   3HD1  LEU  78          HD13      LEU  78  23.221   6.471  -1.595
  650   1HD2  LEU  78          HD21      LEU  78  21.169   5.000  -4.275
  651   2HD2  LEU  78          HD22      LEU  78  22.025   3.461  -4.345
  652   3HD2  LEU  78          HD23      LEU  78  22.786   4.921  -4.975
  653    H    GLU  79           HN       GLU  79  25.466   1.338  -1.106
  654    HA   GLU  79           HA       GLU  79  28.049   1.746  -2.365
  655   1HB   GLU  79          HB2       GLU  79  27.595   2.004   0.130
  656   2HB   GLU  79          HB1       GLU  79  27.496   0.250   0.193
  657   1HG   GLU  79          HG2       GLU  79  29.775   0.043  -0.547
  658   2HG   GLU  79          HG1       GLU  79  29.892   1.786  -0.781
  659    H    HIS  80           HN       HIS  80  25.717  -0.294  -3.106
  660    HA   HIS  80           HA       HIS  80  26.856  -2.854  -3.089
  661   1HB   HIS  80          HB2       HIS  80  24.955  -1.524  -5.002
  662   2HB   HIS  80          HB1       HIS  80  25.548  -3.150  -5.304
  663    HD1  HIS  80           HD1      HIS  80  25.375  -4.281  -2.421
  664    HD2  HIS  80           HD2      HIS  80  22.391  -2.063  -4.292
  665    HE1  HIS  80           HE1      HIS  80  23.236  -4.887  -1.245
  666    HE2  HIS  80           HE2      HIS  80  21.427  -3.720  -2.555
  667    H    HIS  81           HN       HIS  81  27.338  -0.122  -5.246
  668    HA   HIS  81           HA       HIS  81  29.602  -1.572  -6.425
  669   1HB   HIS  81          HB2       HIS  81  29.556  -0.077  -8.295
  670   2HB   HIS  81          HB1       HIS  81  27.907  -0.616  -8.029
  671    HD1  HIS  81           HD1      HIS  81  29.921   2.357  -8.507
  672    HD2  HIS  81           HD2      HIS  81  26.272   1.472  -6.709
  673    HE1  HIS  81           HE1      HIS  81  28.732   4.555  -8.268
  674    HE2  HIS  81           HE2      HIS  81  26.442   3.954  -7.427
  675    H    HIS  82           HN       HIS  82  31.381  -1.245  -5.295
  676    HA   HIS  82           HA       HIS  82  31.781   1.386  -4.052
  677   1HB   HIS  82          HB2       HIS  82  31.825  -0.770  -2.657
  678   2HB   HIS  82          HB1       HIS  82  33.362  -1.112  -3.443
  679    HD1  HIS  82           HD1      HIS  82  33.736  -0.923  -0.598
  680    HD2  HIS  82           HD2      HIS  82  33.532   2.530  -2.913
  681    HE1  HIS  82           HE1      HIS  82  34.841   0.877   0.766
  682    HE2  HIS  82           HE2      HIS  82  34.508   2.996  -0.560
  683    H    HIS  83           HN       HIS  83  32.818   2.665  -5.396
  684    HA   HIS  83           HA       HIS  83  34.633   1.651  -7.388
  685   1HB   HIS  83          HB2       HIS  83  33.050   3.602  -7.709
  686   2HB   HIS  83          HB1       HIS  83  34.097   4.538  -6.649
  687    HD1  HIS  83           HD1      HIS  83  33.493   5.171  -9.700
  688    HD2  HIS  83           HD2      HIS  83  36.912   3.324  -8.202
  689    HE1  HIS  83           HE1      HIS  83  35.292   5.568 -11.413
  690    HE2  HIS  83           HE2      HIS  83  37.317   4.343 -10.546
  691    H    HIS  84           HN       HIS  84  36.494   0.863  -6.513
  692    HA   HIS  84           HA       HIS  84  37.873   2.181  -4.392
  693   1HB   HIS  84          HB2       HIS  84  39.577   0.545  -4.616
  694   2HB   HIS  84          HB1       HIS  84  38.075  -0.295  -4.971
  695    HD1  HIS  84           HD1      HIS  84  41.333   0.690  -6.452
  696    HD2  HIS  84           HD2      HIS  84  37.771  -1.059  -7.706
  697    HE1  HIS  84           HE1      HIS  84  41.825  -0.316  -8.706
  698    HE2  HIS  84           HE2      HIS  84  39.691  -1.471  -9.392
  699    H    HIS  85           HN       HIS  85  39.322   3.772  -4.454
  700    HA   HIS  85           HA       HIS  85  40.969   4.282  -6.736
  701   1HB   HIS  85          HB2       HIS  85  38.823   5.346  -7.455
  702   2HB   HIS  85          HB1       HIS  85  38.905   6.394  -6.043
  703    HD1  HIS  85           HD1      HIS  85  40.079   8.553  -6.362
  704    HD2  HIS  85           HD2      HIS  85  41.117   5.771  -9.272
  705    HE1  HIS  85           HE1      HIS  85  41.520   9.798  -8.005
  706    HE2  HIS  85           HE2      HIS  85  42.324   8.035  -9.619
  Start of MODEL    4
    1   1H    MET   1          HT1       MET   1 -24.499  -0.048  10.632
    2   2H    MET   1          HT2       MET   1 -25.403   1.097   9.769
    3   3H    MET   1          HT3       MET   1 -23.726   1.275   9.913
    4    HA   MET   1           HA       MET   1 -25.021  -1.010   8.552
    5   1HB   MET   1          HB2       MET   1 -25.083   1.557   7.634
    6   2HB   MET   1          HB1       MET   1 -23.541   1.020   6.981
    7   1HG   MET   1          HG2       MET   1 -26.225  -0.266   6.521
    8   2HG   MET   1          HG1       MET   1 -25.314   0.707   5.369
    9   1HE   MET   1          HE1       MET   1 -25.126  -2.874   3.814
   10   2HE   MET   1          HE2       MET   1 -25.540  -1.184   3.532
   11   3HE   MET   1          HE3       MET   1 -26.487  -2.145   4.667
   12    H    HIS   2           HN       HIS   2 -23.602  -2.637   8.284
   13    HA   HIS   2           HA       HIS   2 -20.930  -2.354   9.255
   14   1HB   HIS   2          HB2       HIS   2 -22.079  -4.466   9.598
   15   2HB   HIS   2          HB1       HIS   2 -22.278  -4.680   7.862
   16    HD1  HIS   2           HD1      HIS   2 -19.813  -5.102  10.627
   17    HD2  HIS   2           HD2      HIS   2 -19.922  -5.467   6.481
   18    HE1  HIS   2           HE1      HIS   2 -17.684  -6.281   9.987
   19    HE2  HIS   2           HE2      HIS   2 -17.665  -6.271   7.461
   20    H    LYS   3           HN       LYS   3 -19.495  -1.255   8.108
   21    HA   LYS   3           HA       LYS   3 -19.140  -2.026   5.297
   22   1HB   LYS   3          HB2       LYS   3 -18.155   0.409   6.795
   23   2HB   LYS   3          HB1       LYS   3 -17.644  -0.010   5.164
   24   1HG   LYS   3          HG2       LYS   3 -20.114   0.024   4.556
   25   2HG   LYS   3          HG1       LYS   3 -20.361   0.827   6.110
   26   1HD   LYS   3          HD2       LYS   3 -18.854   2.611   5.460
   27   2HD   LYS   3          HD1       LYS   3 -18.501   1.790   3.937
   28   1HE   LYS   3          HE2       LYS   3 -20.983   1.937   3.450
   29   2HE   LYS   3          HE1       LYS   3 -21.091   3.035   4.824
   30   1HZ   LYS   3          HZ1       LYS   3 -19.556   4.526   3.734
   31   2HZ   LYS   3          HZ2       LYS   3 -20.859   4.199   2.701
   32   3HZ   LYS   3          HZ3       LYS   3 -19.364   3.442   2.440
   33    H    ASP   4           HN       ASP   4 -16.878  -2.299   4.605
   34    HA   ASP   4           HA       ASP   4 -15.271  -3.491   6.772
   35   1HB   ASP   4          HB2       ASP   4 -16.436  -4.779   4.511
   36   2HB   ASP   4          HB1       ASP   4 -14.691  -4.762   4.280
   37    H    ILE   5           HN       ILE   5 -13.108  -3.018   6.755
   38    HA   ILE   5           HA       ILE   5 -12.338  -0.795   5.123
   39    HB   ILE   5           HB       ILE   5 -10.844  -2.414   7.174
   40   1HG1  ILE   5          HG12      ILE   5 -12.135   0.292   7.043
   41   2HG1  ILE   5          HG11      ILE   5 -12.353  -0.981   8.238
   42   1HG2  ILE   5          HG21      ILE   5  -9.229  -1.741   5.485
   43   2HG2  ILE   5          HG22      ILE   5  -8.998  -0.809   6.965
   44   3HG2  ILE   5          HG23      ILE   5  -9.803  -0.076   5.577
   45   1HD1  ILE   5          HD11      ILE   5 -10.109  -0.522   9.103
   46   2HD1  ILE   5          HD12      ILE   5 -11.163   0.891   9.178
   47   3HD1  ILE   5          HD13      ILE   5  -9.935   0.772   7.916
   48    H    PHE   6           HN       PHE   6 -11.397  -0.818   3.228
   49    HA   PHE   6           HA       PHE   6 -10.850  -3.203   1.832
   50   1HB   PHE   6          HB2       PHE   6 -11.411  -1.052   0.722
   51   2HB   PHE   6          HB1       PHE   6  -9.849  -0.410   1.216
   52    HD1  PHE   6           HD1      PHE   6 -11.474  -3.017  -0.845
   53    HD2  PHE   6           HD2      PHE   6  -7.919  -0.817  -0.054
   54    HE1  PHE   6           HE1      PHE   6 -10.460  -3.924  -2.895
   55    HE2  PHE   6           HE2      PHE   6  -6.900  -1.720  -2.101
   56    HZ   PHE   6           HZ       PHE   6  -8.169  -3.274  -3.525
   57    H    THR   7           HN       THR   7  -9.226  -4.540   2.166
   58    HA   THR   7           HA       THR   7  -6.580  -3.442   2.798
   59    HB   THR   7           HB       THR   7  -7.685  -5.950   4.087
   60    HG1  THR   7           HG1      THR   7  -8.246  -3.393   4.660
   61   1HG2  THR   7          HG21      THR   7  -5.778  -5.669   5.610
   62   2HG2  THR   7          HG22      THR   7  -5.268  -4.243   4.708
   63   3HG2  THR   7          HG23      THR   7  -5.244  -5.829   3.937
   64    H    SER   8           HN       SER   8  -5.152  -4.136   1.306
   65    HA   SER   8           HA       SER   8  -5.377  -6.809   0.188
   66   1HB   SER   8          HB2       SER   8  -5.526  -4.343  -1.569
   67   2HB   SER   8          HB1       SER   8  -5.393  -6.004  -2.146
   68    HG   SER   8           HG       SER   8  -7.425  -5.968  -0.486
   69    H    VAL   9           HN       VAL   9  -3.571  -6.637  -1.853
   70    HA   VAL   9           HA       VAL   9  -1.207  -5.348  -0.693
   71    HB   VAL   9           HB       VAL   9  -1.077  -7.690  -0.041
   72   1HG1  VAL   9          HG11      VAL   9  -2.495  -8.678  -1.750
   73   2HG1  VAL   9          HG12      VAL   9  -0.928  -9.488  -1.695
   74   3HG1  VAL   9          HG13      VAL   9  -1.277  -8.330  -2.979
   75   1HG2  VAL   9          HG21      VAL   9   1.087  -8.264  -1.037
   76   2HG2  VAL   9          HG22      VAL   9   1.003  -6.563  -0.578
   77   3HG2  VAL   9          HG23      VAL   9   0.839  -7.029  -2.271
   78    H    VAL  10           HN       VAL  10  -0.066  -4.200  -2.138
   79    HA   VAL  10           HA       VAL  10  -0.770  -4.559  -4.981
   80    HB   VAL  10           HB       VAL  10  -1.556  -2.424  -3.943
   81   1HG1  VAL  10          HG11      VAL  10   0.260  -2.028  -2.391
   82   2HG1  VAL  10          HG12      VAL  10   0.084  -0.656  -3.487
   83   3HG1  VAL  10          HG13      VAL  10   1.388  -1.818  -3.730
   84   1HG2  VAL  10          HG21      VAL  10  -0.765  -0.963  -5.753
   85   2HG2  VAL  10          HG22      VAL  10  -1.231  -2.561  -6.337
   86   3HG2  VAL  10          HG23      VAL  10   0.475  -2.152  -6.155
   87    H    ARG  11           HN       ARG  11   0.880  -4.210  -6.533
   88    HA   ARG  11           HA       ARG  11   3.451  -5.182  -5.740
   89   1HB   ARG  11          HB2       ARG  11   2.382  -4.210  -8.395
   90   2HB   ARG  11          HB1       ARG  11   3.992  -4.883  -8.176
   91   1HG   ARG  11          HG2       ARG  11   3.096  -7.010  -7.556
   92   2HG   ARG  11          HG1       ARG  11   1.456  -6.363  -7.513
   93   1HD   ARG  11          HD2       ARG  11   1.480  -6.007  -9.892
   94   2HD   ARG  11          HD1       ARG  11   3.184  -6.455  -9.983
   95    HE   ARG  11           HE       ARG  11   2.480  -8.726  -9.306
   96   1HH1  ARG  11          HH11      ARG  11   0.089  -6.567 -10.714
   97   2HH1  ARG  11          HH12      ARG  11  -0.906  -7.875 -11.291
   98   1HH2  ARG  11          HH21      ARG  11   1.165 -10.414 -10.086
   99   2HH2  ARG  11          HH22      ARG  11  -0.306 -10.039 -10.936
  100    H    VAL  12           HN       VAL  12   5.231  -4.071  -5.289
  101    HA   VAL  12           HA       VAL  12   5.045  -1.174  -5.150
  102    HB   VAL  12           HB       VAL  12   7.376  -2.915  -4.323
  103   1HG1  VAL  12          HG11      VAL  12   7.926  -1.070  -2.839
  104   2HG1  VAL  12          HG12      VAL  12   6.521  -0.178  -3.412
  105   3HG1  VAL  12          HG13      VAL  12   7.853  -0.525  -4.514
  106   1HG2  VAL  12          HG21      VAL  12   6.451  -2.896  -2.061
  107   2HG2  VAL  12          HG22      VAL  12   5.370  -3.708  -3.194
  108   3HG2  VAL  12          HG23      VAL  12   5.012  -2.067  -2.656
  109    H    ARG  13           HN       ARG  13   5.855   0.141  -6.647
  110    HA   ARG  13           HA       ARG  13   7.899  -0.930  -8.476
  111   1HB   ARG  13          HB2       ARG  13   5.994  -0.308  -9.752
  112   2HB   ARG  13          HB1       ARG  13   5.805   1.203  -8.870
  113   1HG   ARG  13          HG2       ARG  13   7.819   2.082  -9.875
  114   2HG   ARG  13          HG1       ARG  13   8.110   0.549 -10.694
  115   1HD   ARG  13          HD2       ARG  13   6.357   0.865 -12.179
  116   2HD   ARG  13          HD1       ARG  13   5.543   2.023 -11.126
  117    HE   ARG  13           HE       ARG  13   7.469   3.547 -11.661
  118   1HH1  ARG  13          HH11      ARG  13   6.446   1.050 -13.919
  119   2HH1  ARG  13          HH12      ARG  13   7.017   1.914 -15.317
  120   1HH2  ARG  13          HH21      ARG  13   8.214   4.666 -13.487
  121   2HH2  ARG  13          HH22      ARG  13   8.049   3.962 -15.069
  122    H    GLY  14           HN       GLY  14   9.883  -0.209  -8.213
  123   1HA   GLY  14          HA2       GLY  14  10.963   2.177  -8.386
  124   2HA   GLY  14          HA1       GLY  14  10.329   2.289  -6.750
  125    H    SER  15           HN       SER  15  12.825   2.649  -6.619
  126    HA   SER  15           HA       SER  15  14.440   0.304  -6.561
  127   1HB   SER  15          HB2       SER  15  14.874   2.950  -5.147
  128   2HB   SER  15          HB1       SER  15  16.100   1.722  -5.461
  129    HG   SER  15           HG       SER  15  14.727   2.553  -7.708
  130    H    LYS  16           HN       LYS  16  13.575  -1.285  -5.304
  131    HA   LYS  16           HA       LYS  16  13.340  -0.739  -2.441
  132   1HB   LYS  16          HB2       LYS  16  11.224  -2.136  -2.413
  133   2HB   LYS  16          HB1       LYS  16  11.075  -0.533  -3.110
  134   1HG   LYS  16          HG2       LYS  16   9.818  -2.095  -4.429
  135   2HG   LYS  16          HG1       LYS  16  11.203  -1.538  -5.368
  136   1HD   LYS  16          HD2       LYS  16  12.392  -3.591  -4.891
  137   2HD   LYS  16          HD1       LYS  16  11.091  -4.139  -3.838
  138   1HE   LYS  16          HE2       LYS  16  10.934  -3.707  -6.818
  139   2HE   LYS  16          HE1       LYS  16  10.990  -5.257  -5.982
  140   1HZ   LYS  16          HZ1       LYS  16   8.802  -3.260  -5.916
  141   2HZ   LYS  16          HZ2       LYS  16   8.879  -4.590  -4.875
  142   3HZ   LYS  16          HZ3       LYS  16   8.749  -4.828  -6.549
  143    H    LYS  17           HN       LYS  17  12.923  -2.885  -1.243
  144    HA   LYS  17           HA       LYS  17  14.485  -5.033  -2.502
  145   1HB   LYS  17          HB2       LYS  17  15.424  -4.180  -0.398
  146   2HB   LYS  17          HB1       LYS  17  13.911  -4.526   0.427
  147   1HG   LYS  17          HG2       LYS  17  15.487  -6.244   0.947
  148   2HG   LYS  17          HG1       LYS  17  14.239  -6.928  -0.095
  149   1HD   LYS  17          HD2       LYS  17  15.774  -6.546  -2.035
  150   2HD   LYS  17          HD1       LYS  17  17.028  -6.097  -0.876
  151   1HE   LYS  17          HE2       LYS  17  16.756  -8.317   0.196
  152   2HE   LYS  17          HE1       LYS  17  15.611  -8.751  -1.072
  153   1HZ   LYS  17          HZ1       LYS  17  17.458  -8.247  -2.683
  154   2HZ   LYS  17          HZ2       LYS  17  17.679  -9.623  -1.718
  155   3HZ   LYS  17          HZ3       LYS  17  18.506  -8.192  -1.349
  156    H    TYR  18           HN       TYR  18  11.433  -4.193  -1.043
  157    HA   TYR  18           HA       TYR  18  10.522  -6.968  -1.104
  158   1HB   TYR  18          HB2       TYR  18   9.952  -4.709   0.545
  159   2HB   TYR  18          HB1       TYR  18   8.457  -5.215  -0.237
  160    HD1  TYR  18           HD2      TYR  18  11.359  -6.659   1.617
  161    HD2  TYR  18           HD1      TYR  18   7.202  -6.884   0.751
  162    HE1  TYR  18           HE2      TYR  18  11.120  -8.467   3.266
  163    HE2  TYR  18           HE1      TYR  18   6.950  -8.695   2.397
  164    HH   TYR  18           HH       TYR  18   8.434 -10.453   3.447
  165    H    ASN  19           HN       ASN  19   8.875  -7.702  -2.384
  166    HA   ASN  19           HA       ASN  19   8.623  -6.269  -4.858
  167   1HB   ASN  19          HB2       ASN  19   8.954  -8.714  -4.798
  168   2HB   ASN  19          HB1       ASN  19   7.377  -8.892  -4.034
  169   1HD2  ASN  19          HD21      ASN  19   6.505 -10.101  -5.665
  170   2HD2  ASN  19          HD22      ASN  19   6.148  -9.458  -7.229
  171    H    VAL  20           HN       VAL  20   6.425  -7.252  -2.299
  172    HA   VAL  20           HA       VAL  20   4.373  -5.507  -3.487
  173    HB   VAL  20           HB       VAL  20   2.640  -7.121  -2.690
  174   1HG1  VAL  20          HG11      VAL  20   2.921  -8.699  -4.547
  175   2HG1  VAL  20          HG12      VAL  20   4.596  -8.177  -4.729
  176   3HG1  VAL  20          HG13      VAL  20   3.281  -7.041  -5.034
  177   1HG2  VAL  20          HG21      VAL  20   5.003  -8.965  -2.329
  178   2HG2  VAL  20          HG22      VAL  20   3.305  -9.429  -2.221
  179   3HG2  VAL  20          HG23      VAL  20   3.991  -8.315  -1.039
  180    H    VAL  21           HN       VAL  21   3.016  -4.415  -2.064
  181    HA   VAL  21           HA       VAL  21   3.656  -4.697   0.795
  182    HB   VAL  21           HB       VAL  21   4.774  -2.693  -0.042
  183   1HG1  VAL  21          HG11      VAL  21   3.498  -0.767  -0.859
  184   2HG1  VAL  21          HG12      VAL  21   2.028  -1.743  -0.845
  185   3HG1  VAL  21          HG13      VAL  21   3.353  -2.157  -1.934
  186   1HG2  VAL  21          HG21      VAL  21   3.830  -1.064   1.532
  187   2HG2  VAL  21          HG22      VAL  21   3.965  -2.673   2.238
  188   3HG2  VAL  21          HG23      VAL  21   2.396  -2.076   1.701
  189    HA   PRO  22           HA       PRO  22  -0.825  -5.139   1.195
  190   1HB   PRO  22          HB2       PRO  22  -0.022  -4.881   4.038
  191   2HB   PRO  22          HB1       PRO  22  -1.021  -6.109   3.258
  192   1HG   PRO  22          HG2       PRO  22   1.481  -6.643   4.023
  193   2HG   PRO  22          HG1       PRO  22   0.805  -7.325   2.533
  194   1HD   PRO  22          HD2       PRO  22   2.722  -5.067   2.886
  195   2HD   PRO  22          HD1       PRO  22   2.666  -6.308   1.622
  196    H    VAL  23           HN       VAL  23  -2.160  -3.503   1.019
  197    HA   VAL  23           HA       VAL  23  -1.614  -1.000   2.484
  198    HB   VAL  23           HB       VAL  23  -2.796   0.202   0.681
  199   1HG1  VAL  23          HG11      VAL  23  -1.055   0.008  -1.038
  200   2HG1  VAL  23          HG12      VAL  23  -0.495  -1.489  -0.292
  201   3HG1  VAL  23          HG13      VAL  23  -0.373   0.036   0.587
  202   1HG2  VAL  23          HG21      VAL  23  -4.225  -1.614  -0.106
  203   2HG2  VAL  23          HG22      VAL  23  -2.813  -2.466  -0.729
  204   3HG2  VAL  23          HG23      VAL  23  -3.295  -0.925  -1.437
  205    H    LYS  24           HN       LYS  24  -3.510   0.180   3.196
  206    HA   LYS  24           HA       LYS  24  -6.004  -1.340   3.224
  207   1HB   LYS  24          HB2       LYS  24  -6.248  -1.181   5.635
  208   2HB   LYS  24          HB1       LYS  24  -4.768  -2.043   5.242
  209   1HG   LYS  24          HG2       LYS  24  -3.467  -0.022   5.688
  210   2HG   LYS  24          HG1       LYS  24  -4.952   0.847   6.076
  211   1HD   LYS  24          HD2       LYS  24  -3.815  -1.529   7.553
  212   2HD   LYS  24          HD1       LYS  24  -3.847   0.144   8.115
  213   1HE   LYS  24          HE2       LYS  24  -6.309   0.085   8.082
  214   2HE   LYS  24          HE1       LYS  24  -6.249  -1.603   7.575
  215   1HZ   LYS  24          HZ1       LYS  24  -4.899  -1.961   9.686
  216   2HZ   LYS  24          HZ2       LYS  24  -6.561  -1.686   9.861
  217   3HZ   LYS  24          HZ3       LYS  24  -5.461  -0.435  10.177
  218    H    SER  25           HN       SER  25  -7.693  -0.002   4.523
  219    HA   SER  25           HA       SER  25  -7.464   2.811   3.684
  220   1HB   SER  25          HB2       SER  25  -9.307   1.618   2.624
  221   2HB   SER  25          HB1       SER  25  -9.899   1.083   4.196
  222    HG   SER  25           HG       SER  25 -11.069   2.831   4.055
  223    H    ASN  26           HN       ASN  26  -8.024   4.461   5.139
  224    HA   ASN  26           HA       ASN  26  -7.636   3.723   7.909
  225   1HB   ASN  26          HB2       ASN  26  -7.298   6.014   8.371
  226   2HB   ASN  26          HB1       ASN  26  -6.541   5.732   6.812
  227   1HD2  ASN  26          HD21      ASN  26  -7.463   8.187   8.018
  228   2HD2  ASN  26          HD22      ASN  26  -8.591   8.883   6.898
  229    H    LYS  27           HN       LYS  27 -10.260   4.050   5.886
  230    HA   LYS  27           HA       LYS  27 -12.039   4.022   8.210
  231   1HB   LYS  27          HB2       LYS  27 -12.370   5.791   5.788
  232   2HB   LYS  27          HB1       LYS  27 -13.712   5.378   6.844
  233   1HG   LYS  27          HG2       LYS  27 -12.506   6.374   8.738
  234   2HG   LYS  27          HG1       LYS  27 -11.201   6.834   7.643
  235   1HD   LYS  27          HD2       LYS  27 -14.069   7.724   7.363
  236   2HD   LYS  27          HD1       LYS  27 -12.799   8.677   8.133
  237   1HE   LYS  27          HE2       LYS  27 -12.786   7.720   5.272
  238   2HE   LYS  27          HE1       LYS  27 -13.190   9.353   5.803
  239   1HZ   LYS  27          HZ1       LYS  27 -10.943   9.371   5.107
  240   2HZ   LYS  27          HZ2       LYS  27 -10.564   7.987   6.007
  241   3HZ   LYS  27          HZ3       LYS  27 -10.913   9.444   6.801
  242    HA   PRO  28           HA       PRO  28 -13.689   0.449   6.257
  243   1HB   PRO  28          HB2       PRO  28 -16.311   1.178   7.392
  244   2HB   PRO  28          HB1       PRO  28 -15.312  -0.247   7.695
  245   1HG   PRO  28          HG2       PRO  28 -15.603   1.689   9.531
  246   2HG   PRO  28          HG1       PRO  28 -14.082   0.800   9.340
  247   1HD   PRO  28          HD2       PRO  28 -14.803   3.548   8.403
  248   2HD   PRO  28          HD1       PRO  28 -13.274   2.952   9.085
  249    H    VAL  29           HN       VAL  29 -14.385   0.108   4.264
  250    HA   VAL  29           HA       VAL  29 -16.215   2.085   3.059
  251    HB   VAL  29           HB       VAL  29 -15.173   1.469   0.863
  252   1HG1  VAL  29          HG11      VAL  29 -13.335   2.659   2.934
  253   2HG1  VAL  29          HG12      VAL  29 -14.556   3.524   1.999
  254   3HG1  VAL  29          HG13      VAL  29 -13.155   2.824   1.187
  255   1HG2  VAL  29          HG21      VAL  29 -13.128   0.113   2.614
  256   2HG2  VAL  29          HG22      VAL  29 -12.966   0.403   0.881
  257   3HG2  VAL  29          HG23      VAL  29 -14.223  -0.681   1.481
  258    H    GLU  30           HN       GLU  30 -17.307   1.102   1.019
  259    HA   GLU  30           HA       GLU  30 -18.776  -1.198   1.752
  260   1HB   GLU  30          HB2       GLU  30 -18.456   0.076  -0.975
  261   2HB   GLU  30          HB1       GLU  30 -19.651  -1.145  -0.565
  262   1HG   GLU  30          HG2       GLU  30 -20.882   0.784  -0.428
  263   2HG   GLU  30          HG1       GLU  30 -20.393   0.556   1.249
  264    H    ILE  31           HN       ILE  31 -18.251  -3.273   1.596
  265    HA   ILE  31           HA       ILE  31 -15.701  -4.104   0.759
  266    HB   ILE  31           HB       ILE  31 -16.992  -5.299   2.466
  267   1HG1  ILE  31          HG12      ILE  31 -16.367  -7.054   0.079
  268   2HG1  ILE  31          HG11      ILE  31 -15.183  -6.463   1.240
  269   1HG2  ILE  31          HG21      ILE  31 -18.837  -6.790   1.828
  270   2HG2  ILE  31          HG22      ILE  31 -18.760  -6.165   0.181
  271   3HG2  ILE  31          HG23      ILE  31 -19.212  -5.097   1.509
  272   1HD1  ILE  31          HD11      ILE  31 -17.482  -8.309   1.839
  273   2HD1  ILE  31          HD12      ILE  31 -16.317  -7.706   3.015
  274   3HD1  ILE  31          HD13      ILE  31 -15.783  -8.763   1.707
  275    H    SER  32           HN       SER  32 -18.664  -3.719  -0.958
  276    HA   SER  32           HA       SER  32 -17.931  -5.457  -3.139
  277   1HB   SER  32          HB2       SER  32 -20.067  -4.204  -4.104
  278   2HB   SER  32          HB1       SER  32 -20.214  -5.481  -2.895
  279    HG   SER  32           HG       SER  32 -21.363  -3.880  -2.011
  280    H    LYS  33           HN       LYS  33 -16.837  -2.508  -2.233
  281    HA   LYS  33           HA       LYS  33 -16.627  -1.450  -4.950
  282   1HB   LYS  33          HB2       LYS  33 -16.144  -0.328  -2.232
  283   2HB   LYS  33          HB1       LYS  33 -15.228   0.341  -3.575
  284   1HG   LYS  33          HG2       LYS  33 -17.386   0.763  -4.743
  285   2HG   LYS  33          HG1       LYS  33 -18.219   0.257  -3.271
  286   1HD   LYS  33          HD2       LYS  33 -17.276   2.061  -2.027
  287   2HD   LYS  33          HD1       LYS  33 -16.178   2.473  -3.343
  288   1HE   LYS  33          HE2       LYS  33 -18.024   4.040  -3.263
  289   2HE   LYS  33          HE1       LYS  33 -18.097   3.083  -4.741
  290   1HZ   LYS  33          HZ1       LYS  33 -19.768   1.669  -3.670
  291   2HZ   LYS  33          HZ2       LYS  33 -20.278   3.281  -3.772
  292   3HZ   LYS  33          HZ3       LYS  33 -19.723   2.661  -2.289
  293    H    TRP  34           HN       TRP  34 -15.136  -3.802  -3.418
  294    HA   TRP  34           HA       TRP  34 -12.407  -3.200  -3.433
  295   1HB   TRP  34          HB2       TRP  34 -12.004  -5.558  -3.346
  296   2HB   TRP  34          HB1       TRP  34 -13.459  -5.240  -2.412
  297    HD1  TRP  34           HD1      TRP  34 -15.842  -5.930  -3.661
  298    HE1  TRP  34           HE1      TRP  34 -16.316  -7.864  -5.294
  299    HE3  TRP  34           HE3      TRP  34 -11.050  -6.946  -5.137
  300    HZ2  TRP  34           HZ2      TRP  34 -14.853  -9.592  -6.979
  301    HZ3  TRP  34           HZ3      TRP  34 -10.677  -8.756  -6.759
  302    HH2  TRP  34           HH2      TRP  34 -12.538 -10.049  -7.660
  303    H    ILE  35           HN       ILE  35 -14.583  -4.057  -6.012
  304    HA   ILE  35           HA       ILE  35 -12.658  -4.670  -7.987
  305    HB   ILE  35           HB       ILE  35 -14.530  -4.007  -9.603
  306   1HG1  ILE  35          HG12      ILE  35 -16.099  -3.919  -7.013
  307   2HG1  ILE  35          HG11      ILE  35 -15.727  -2.522  -8.016
  308   1HG2  ILE  35          HG21      ILE  35 -14.995  -6.162  -7.552
  309   2HG2  ILE  35          HG22      ILE  35 -14.035  -6.297  -9.026
  310   3HG2  ILE  35          HG23      ILE  35 -15.779  -6.062  -9.128
  311   1HD1  ILE  35          HD11      ILE  35 -17.422  -4.879  -8.812
  312   2HD1  ILE  35          HD12      ILE  35 -17.033  -3.501  -9.840
  313   3HD1  ILE  35          HD13      ILE  35 -17.997  -3.268  -8.382
  314    H    ASP  36           HN       ASP  36 -14.145  -1.647  -6.955
  315    HA   ASP  36           HA       ASP  36 -13.087  -0.130  -9.154
  316   1HB   ASP  36          HB2       ASP  36 -14.288   0.819  -6.534
  317   2HB   ASP  36          HB1       ASP  36 -13.960   1.831  -7.937
  318    H    PHE  37           HN       PHE  37 -12.237  -0.609  -5.749
  319    HA   PHE  37           HA       PHE  37 -10.089   1.228  -5.724
  320   1HB   PHE  37          HB2       PHE  37 -10.807  -1.121  -3.996
  321   2HB   PHE  37          HB1       PHE  37  -9.288  -0.262  -3.762
  322    HD1  PHE  37           HD2      PHE  37  -9.299   2.100  -3.071
  323    HD2  PHE  37           HD1      PHE  37 -12.885  -0.181  -3.309
  324    HE1  PHE  37           HE2      PHE  37 -10.450   3.773  -1.684
  325    HE2  PHE  37           HE1      PHE  37 -14.042   1.491  -1.925
  326    HZ   PHE  37           HZ       PHE  37 -12.826   3.471  -1.108
  327    H    SER  38           HN       SER  38 -10.112  -2.321  -6.124
  328    HA   SER  38           HA       SER  38  -7.356  -2.558  -6.653
  329   1HB   SER  38          HB2       SER  38  -9.587  -4.346  -7.649
  330   2HB   SER  38          HB1       SER  38  -7.885  -4.780  -7.491
  331    HG   SER  38           HG       SER  38  -9.858  -4.578  -5.563
  332    H    ASN  39           HN       ASN  39 -10.044  -1.617  -8.615
  333    HA   ASN  39           HA       ASN  39  -9.014  -1.969 -11.192
  334   1HB   ASN  39          HB2       ASN  39 -11.357  -1.197 -10.415
  335   2HB   ASN  39          HB1       ASN  39 -10.658   0.415 -10.360
  336   1HD2  ASN  39          HD21      ASN  39 -11.824  -2.128 -12.323
  337   2HD2  ASN  39          HD22      ASN  39 -11.738  -1.293 -13.836
  338    H    VAL  40           HN       VAL  40  -8.867   0.830  -9.020
  339    HA   VAL  40           HA       VAL  40  -7.148   2.362 -10.690
  340    HB   VAL  40           HB       VAL  40  -7.655   2.647  -7.719
  341   1HG1  VAL  40          HG11      VAL  40  -5.660   3.848  -8.414
  342   2HG1  VAL  40          HG12      VAL  40  -6.965   4.979  -8.043
  343   3HG1  VAL  40          HG13      VAL  40  -6.560   4.618  -9.722
  344   1HG2  VAL  40          HG21      VAL  40  -9.298   4.344  -8.368
  345   2HG2  VAL  40          HG22      VAL  40  -9.721   2.750  -8.993
  346   3HG2  VAL  40          HG23      VAL  40  -9.016   3.959 -10.067
  347    H    LEU  41           HN       LEU  41  -6.630   0.227  -7.912
  348    HA   LEU  41           HA       LEU  41  -3.904   0.756  -7.526
  349   1HB   LEU  41          HB2       LEU  41  -5.478  -1.760  -6.985
  350   2HB   LEU  41          HB1       LEU  41  -3.834  -1.494  -6.440
  351    HG   LEU  41           HG       LEU  41  -6.245   0.124  -5.612
  352   1HD1  LEU  41          HD11      LEU  41  -5.904  -0.909  -3.432
  353   2HD1  LEU  41          HD12      LEU  41  -4.574  -1.868  -4.085
  354   3HD1  LEU  41          HD13      LEU  41  -6.219  -2.128  -4.668
  355   1HD2  LEU  41          HD21      LEU  41  -4.724   1.187  -4.021
  356   2HD2  LEU  41          HD22      LEU  41  -4.216   1.480  -5.685
  357   3HD2  LEU  41          HD23      LEU  41  -3.372   0.283  -4.702
  358    H    SER  42           HN       SER  42  -5.549  -1.360  -9.787
  359    HA   SER  42           HA       SER  42  -3.315  -2.858 -10.629
  360   1HB   SER  42          HB2       SER  42  -5.649  -3.501 -11.121
  361   2HB   SER  42          HB1       SER  42  -5.800  -2.111 -12.194
  362    HG   SER  42           HG       SER  42  -3.735  -3.261 -13.128
  363    H    ARG  43           HN       ARG  43  -4.246   0.396 -11.211
  364    HA   ARG  43           HA       ARG  43  -2.316   0.600 -13.426
  365   1HB   ARG  43          HB2       ARG  43  -4.744   1.338 -13.768
  366   2HB   ARG  43          HB1       ARG  43  -4.391   2.659 -12.663
  367   1HG   ARG  43          HG2       ARG  43  -4.200   3.410 -14.952
  368   2HG   ARG  43          HG1       ARG  43  -2.614   3.429 -14.176
  369   1HD   ARG  43          HD2       ARG  43  -2.159   1.208 -15.189
  370   2HD   ARG  43          HD1       ARG  43  -3.687   1.333 -16.055
  371    HE   ARG  43           HE       ARG  43  -2.045   3.599 -16.558
  372   1HH1  ARG  43          HH11      ARG  43  -2.485   0.219 -17.365
  373   2HH1  ARG  43          HH12      ARG  43  -1.647   0.333 -18.888
  374   1HH2  ARG  43          HH21      ARG  43  -0.954   3.775 -18.572
  375   2HH2  ARG  43          HH22      ARG  43  -0.805   2.369 -19.587
  376    H    LEU  44           HN       LEU  44  -2.394   0.860 -10.220
  377    HA   LEU  44           HA       LEU  44  -0.875   3.371 -10.087
  378   1HB   LEU  44          HB2       LEU  44  -2.935   3.258  -8.719
  379   2HB   LEU  44          HB1       LEU  44  -2.275   1.873  -7.871
  380    HG   LEU  44           HG       LEU  44  -0.411   3.318  -7.066
  381   1HD1  LEU  44          HD11      LEU  44  -0.469   5.011  -8.810
  382   2HD1  LEU  44          HD12      LEU  44  -0.671   5.745  -7.219
  383   3HD1  LEU  44          HD13      LEU  44  -2.068   5.528  -8.273
  384   1HD2  LEU  44          HD21      LEU  44  -1.751   4.487  -5.392
  385   2HD2  LEU  44          HD22      LEU  44  -2.352   2.851  -5.667
  386   3HD2  LEU  44          HD23      LEU  44  -3.199   4.232  -6.367
  387    H    TYR  45           HN       TYR  45   1.123   2.562 -10.645
  388    HA   TYR  45           HA       TYR  45   2.253   0.497  -8.910
  389   1HB   TYR  45          HB2       TYR  45   3.203   1.674 -11.521
  390   2HB   TYR  45          HB1       TYR  45   4.189   0.593 -10.543
  391    HD1  TYR  45           HD2      TYR  45   3.433  -1.746 -10.152
  392    HD2  TYR  45           HD1      TYR  45   1.451   0.833 -12.897
  393    HE1  TYR  45           HE2      TYR  45   2.357  -3.692 -11.197
  394    HE2  TYR  45           HE1      TYR  45   0.364  -1.108 -13.944
  395    HH   TYR  45           HH       TYR  45   0.834  -3.586 -14.168
  396    H    VAL  46           HN       VAL  46   2.742   1.487  -7.057
  397    HA   VAL  46           HA       VAL  46   4.805   3.558  -7.111
  398    HB   VAL  46           HB       VAL  46   3.606   4.799  -5.272
  399   1HG1  VAL  46          HG11      VAL  46   2.199   4.707  -7.938
  400   2HG1  VAL  46          HG12      VAL  46   3.630   5.661  -7.550
  401   3HG1  VAL  46          HG13      VAL  46   2.094   6.017  -6.760
  402   1HG2  VAL  46          HG21      VAL  46   2.066   3.025  -4.601
  403   2HG2  VAL  46          HG22      VAL  46   1.252   3.132  -6.163
  404   3HG2  VAL  46          HG23      VAL  46   1.188   4.491  -5.041
  405    H    GLY  47           HN       GLY  47   4.691   4.008  -4.284
  406   1HA   GLY  47          HA2       GLY  47   4.411   2.290  -2.390
  407   2HA   GLY  47          HA1       GLY  47   5.586   1.382  -3.324
  408    H    VAL  48           HN       VAL  48   7.706   2.187  -3.534
  409    HA   VAL  48           HA       VAL  48   9.646   3.051  -2.751
  410    HB   VAL  48           HB       VAL  48   7.927   5.254  -1.585
  411   1HG1  VAL  48          HG11      VAL  48  10.087   5.103  -0.464
  412   2HG1  VAL  48          HG12      VAL  48  10.003   6.546  -1.473
  413   3HG1  VAL  48          HG13      VAL  48  10.909   5.138  -2.023
  414   1HG2  VAL  48          HG21      VAL  48   7.738   5.134  -4.008
  415   2HG2  VAL  48          HG22      VAL  48   9.494   5.132  -4.161
  416   3HG2  VAL  48          HG23      VAL  48   8.666   6.556  -3.532
  417    HA   PRO  49           HA       PRO  49   9.825   0.616   0.980
  418   1HB   PRO  49          HB2       PRO  49  12.426   2.084   1.077
  419   2HB   PRO  49          HB1       PRO  49  12.091   0.369   1.338
  420   1HG   PRO  49          HG2       PRO  49  13.110   1.244  -0.970
  421   2HG   PRO  49          HG1       PRO  49  11.940  -0.086  -0.917
  422   1HD   PRO  49          HD2       PRO  49  11.586   2.700  -1.842
  423   2HD   PRO  49          HD1       PRO  49  10.700   1.234  -2.300
  424    H    THR  50           HN       THR  50   8.470   1.429   2.463
  425    HA   THR  50           HA       THR  50   9.334   3.764   4.025
  426    HB   THR  50           HB       THR  50   6.708   4.041   4.233
  427    HG1  THR  50           HG1      THR  50   6.888   3.164   1.546
  428   1HG2  THR  50          HG21      THR  50   8.238   5.770   3.418
  429   2HG2  THR  50          HG22      THR  50   6.787   5.699   2.420
  430   3HG2  THR  50          HG23      THR  50   8.291   4.987   1.839
  431    H    LYS  51           HN       LYS  51   7.207   3.761   5.827
  432    HA   LYS  51           HA       LYS  51   7.452   1.126   7.115
  433   1HB   LYS  51          HB2       LYS  51   7.413   3.848   8.428
  434   2HB   LYS  51          HB1       LYS  51   7.345   2.319   9.297
  435   1HG   LYS  51          HG2       LYS  51   9.539   1.721   8.315
  436   2HG   LYS  51          HG1       LYS  51   9.612   3.328   7.590
  437   1HD   LYS  51          HD2       LYS  51  10.880   3.294   9.654
  438   2HD   LYS  51          HD1       LYS  51   9.456   4.319   9.843
  439   1HE   LYS  51          HE2       LYS  51   8.291   2.520  10.992
  440   2HE   LYS  51          HE1       LYS  51   9.676   1.453  10.760
  441   1HZ   LYS  51          HZ1       LYS  51   9.648   2.394  12.979
  442   2HZ   LYS  51          HZ2       LYS  51   9.672   3.968  12.341
  443   3HZ   LYS  51          HZ3       LYS  51  11.005   2.938  12.119
  444    H    SER  52           HN       SER  52   5.710   1.295   9.125
  445    HA   SER  52           HA       SER  52   3.258   0.863   7.801
  446   1HB   SER  52          HB2       SER  52   2.864   1.161  10.621
  447   2HB   SER  52          HB1       SER  52   2.889  -0.319   9.661
  448    HG   SER  52           HG       SER  52   4.995   0.952  11.050
  449    H    GLY  53           HN       GLY  53   1.618   2.181   7.362
  450   1HA   GLY  53          HA2       GLY  53   0.018   3.821   7.922
  451   2HA   GLY  53          HA1       GLY  53   1.162   4.518   9.060
  452    H    ASN  54           HN       ASN  54   2.273   3.717   5.878
  453    HA   ASN  54           HA       ASN  54   2.752   6.543   5.397
  454   1HB   ASN  54          HB2       ASN  54   4.123   5.873   3.526
  455   2HB   ASN  54          HB1       ASN  54   4.536   4.876   4.912
  456   1HD2  ASN  54          HD21      ASN  54   4.174   2.695   4.839
  457   2HD2  ASN  54          HD22      ASN  54   3.685   1.875   3.397
  458    H    VAL  55           HN       VAL  55   1.725   7.798   3.959
  459    HA   VAL  55           HA       VAL  55  -0.721   6.719   2.802
  460    HB   VAL  55           HB       VAL  55   0.266   9.578   2.919
  461   1HG1  VAL  55          HG11      VAL  55  -1.273   9.230   1.074
  462   2HG1  VAL  55          HG12      VAL  55  -2.046  10.175   2.347
  463   3HG1  VAL  55          HG13      VAL  55  -2.433   8.464   2.162
  464   1HG2  VAL  55          HG21      VAL  55  -1.781   8.165   4.621
  465   2HG2  VAL  55          HG22      VAL  55  -1.375   9.880   4.700
  466   3HG2  VAL  55          HG23      VAL  55  -0.171   8.668   5.139
  467    H    VAL  56           HN       VAL  56  -0.725   6.029   0.748
  468    HA   VAL  56           HA       VAL  56   1.277   7.076  -1.094
  469    HB   VAL  56           HB       VAL  56   0.293   5.393  -2.719
  470   1HG1  VAL  56          HG11      VAL  56   1.437   3.502  -1.657
  471   2HG1  VAL  56          HG12      VAL  56   1.460   4.382  -0.129
  472   3HG1  VAL  56          HG13      VAL  56   2.364   4.995  -1.514
  473   1HG2  VAL  56          HG21      VAL  56  -1.114   4.436  -0.223
  474   2HG2  VAL  56          HG22      VAL  56  -0.992   3.534  -1.734
  475   3HG2  VAL  56          HG23      VAL  56  -1.881   5.055  -1.686
  476    H    CYS  57           HN       CYS  57  -2.273   6.713  -1.000
  477    HA   CYS  57           HA       CYS  57  -2.436   9.169  -2.600
  478   1HB   CYS  57          HB2       CYS  57  -4.132   6.692  -2.977
  479   2HB   CYS  57          HB1       CYS  57  -4.386   8.231  -3.797
  480    HG   CYS  57           HG       CYS  57  -1.377   7.733  -4.508
  481    H    LYS  58           HN       LYS  58  -3.427  10.675  -1.465
  482    HA   LYS  58           HA       LYS  58  -5.302   9.871   0.635
  483   1HB   LYS  58          HB2       LYS  58  -3.345  11.396   1.144
  484   2HB   LYS  58          HB1       LYS  58  -4.129  12.614   0.150
  485   1HG   LYS  58          HG2       LYS  58  -6.020  12.677   1.646
  486   2HG   LYS  58          HG1       LYS  58  -5.340  11.362   2.606
  487   1HD   LYS  58          HD2       LYS  58  -3.355  12.829   3.039
  488   2HD   LYS  58          HD1       LYS  58  -4.237  14.146   2.265
  489   1HE   LYS  58          HE2       LYS  58  -4.525  14.345   4.631
  490   2HE   LYS  58          HE1       LYS  58  -6.057  13.816   3.936
  491   1HZ   LYS  58          HZ1       LYS  58  -5.453  12.612   5.976
  492   2HZ   LYS  58          HZ2       LYS  58  -4.067  12.015   5.209
  493   3HZ   LYS  58          HZ3       LYS  58  -5.604  11.574   4.647
  494    H    ASN  59           HN       ASN  59  -7.418  10.288   0.492
  495    HA   ASN  59           HA       ASN  59  -9.438  11.024  -0.249
  496   1HB   ASN  59          HB2       ASN  59  -8.297  13.288  -0.005
  497   2HB   ASN  59          HB1       ASN  59  -7.965  13.212  -1.730
  498   1HD2  ASN  59          HD21      ASN  59  -9.203  15.026  -2.153
  499   2HD2  ASN  59          HD22      ASN  59 -10.932  15.010  -2.065
  500    H    ILE  60           HN       ILE  60  -8.064   9.012  -1.624
  501    HA   ILE  60           HA       ILE  60  -8.114   9.290  -4.421
  502    HB   ILE  60           HB       ILE  60  -6.975   7.418  -3.368
  503   1HG1  ILE  60          HG12      ILE  60  -9.278   6.421  -5.062
  504   2HG1  ILE  60          HG11      ILE  60  -7.810   7.161  -5.690
  505   1HG2  ILE  60          HG21      ILE  60  -8.441   7.045  -1.477
  506   2HG2  ILE  60          HG22      ILE  60  -8.212   5.545  -2.377
  507   3HG2  ILE  60          HG23      ILE  60  -9.712   6.456  -2.550
  508   1HD1  ILE  60          HD11      ILE  60  -7.723   4.743  -5.885
  509   2HD1  ILE  60          HD12      ILE  60  -7.970   4.580  -4.147
  510   3HD1  ILE  60          HD13      ILE  60  -6.492   5.319  -4.761
  511    H    MET  61           HN       MET  61  -9.727   9.359  -5.845
  512    HA   MET  61           HA       MET  61 -11.797   9.406  -6.763
  513   1HB   MET  61          HB2       MET  61 -12.443   7.434  -4.570
  514   2HB   MET  61          HB1       MET  61 -13.581   7.902  -5.822
  515   1HG   MET  61          HG2       MET  61 -11.927   7.064  -7.509
  516   2HG   MET  61          HG1       MET  61 -10.984   6.427  -6.161
  517   1HE   MET  61          HE1       MET  61 -12.680   3.253  -7.809
  518   2HE   MET  61          HE2       MET  61 -11.150   4.039  -7.422
  519   3HE   MET  61          HE3       MET  61 -12.199   4.717  -8.667
  520    H    ASN  62           HN       ASN  62 -10.968  11.073  -4.307
  521    HA   ASN  62           HA       ASN  62 -11.822  12.734  -3.012
  522   1HB   ASN  62          HB2       ASN  62 -13.850  12.515  -5.190
  523   2HB   ASN  62          HB1       ASN  62 -14.257  13.486  -3.778
  524   1HD2  ASN  62          HD21      ASN  62 -13.161  15.372  -3.383
  525   2HD2  ASN  62          HD22      ASN  62 -12.133  16.125  -4.557
  526    H    THR  63           HN       THR  63 -12.131  10.081  -2.136
  527    HA   THR  63           HA       THR  63 -14.763   9.769  -1.001
  528    HB   THR  63           HB       THR  63 -13.723   7.794   0.144
  529    HG1  THR  63           HG1      THR  63 -11.469   7.927  -1.460
  530   1HG2  THR  63          HG21      THR  63 -14.795   7.574  -2.052
  531   2HG2  THR  63          HG22      THR  63 -13.417   6.484  -1.897
  532   3HG2  THR  63          HG23      THR  63 -13.264   7.971  -2.832
  533    H    GLY  64           HN       GLY  64 -11.773  11.208  -0.067
  534   1HA   GLY  64          HA2       GLY  64 -11.317  12.401   1.892
  535   2HA   GLY  64          HA1       GLY  64 -12.774  11.727   2.613
  536    H    VAL  65           HN       VAL  65 -10.974   9.355   1.087
  537    HA   VAL  65           HA       VAL  65  -9.824   8.482   3.651
  538    HB   VAL  65           HB       VAL  65 -10.638   6.889   1.213
  539   1HG1  VAL  65          HG11      VAL  65  -9.292   5.929   3.735
  540   2HG1  VAL  65          HG12      VAL  65  -8.592   5.950   2.117
  541   3HG1  VAL  65          HG13      VAL  65  -9.958   4.892   2.473
  542   1HG2  VAL  65          HG21      VAL  65 -11.662   6.875   4.050
  543   2HG2  VAL  65          HG22      VAL  65 -12.198   5.800   2.760
  544   3HG2  VAL  65          HG23      VAL  65 -12.498   7.535   2.643
  545    H    ASP  66           HN       ASP  66  -7.651   8.375   3.846
  546    HA   ASP  66           HA       ASP  66  -6.054   8.416   1.393
  547   1HB   ASP  66          HB2       ASP  66  -4.096   8.768   2.963
  548   2HB   ASP  66          HB1       ASP  66  -5.249  10.088   2.856
  549    H    ILE  67           HN       ILE  67  -5.138   6.681   0.658
  550    HA   ILE  67           HA       ILE  67  -5.482   4.178   2.060
  551    HB   ILE  67           HB       ILE  67  -4.195   4.756  -0.620
  552   1HG1  ILE  67          HG12      ILE  67  -6.568   5.322  -0.610
  553   2HG1  ILE  67          HG11      ILE  67  -6.296   3.870  -1.566
  554   1HG2  ILE  67          HG21      ILE  67  -3.370   2.671   0.332
  555   2HG2  ILE  67          HG22      ILE  67  -4.426   2.354  -1.045
  556   3HG2  ILE  67          HG23      ILE  67  -5.026   2.124   0.597
  557   1HD1  ILE  67          HD11      ILE  67  -7.080   2.496   0.293
  558   2HD1  ILE  67          HD12      ILE  67  -8.299   3.672  -0.201
  559   3HD1  ILE  67          HD13      ILE  67  -7.347   3.949   1.258
  560    H    ILE  68           HN       ILE  68  -4.012   3.298   3.339
  561    HA   ILE  68           HA       ILE  68  -1.269   4.344   3.187
  562    HB   ILE  68           HB       ILE  68  -1.150   4.005   5.666
  563   1HG1  ILE  68          HG12      ILE  68  -4.144   3.698   5.350
  564   2HG1  ILE  68          HG11      ILE  68  -3.024   2.498   5.986
  565   1HG2  ILE  68          HG21      ILE  68  -1.410   6.207   4.677
  566   2HG2  ILE  68          HG22      ILE  68  -2.298   6.095   6.196
  567   3HG2  ILE  68          HG23      ILE  68  -3.163   6.007   4.661
  568   1HD1  ILE  68          HD11      ILE  68  -2.564   3.920   7.895
  569   2HD1  ILE  68          HD12      ILE  68  -4.291   3.591   7.753
  570   3HD1  ILE  68          HD13      ILE  68  -3.645   5.154   7.248
  571    H    CYS  69           HN       CYS  69   0.370   2.951   3.276
  572    HA   CYS  69           HA       CYS  69  -0.255   0.102   3.301
  573   1HB   CYS  69          HB2       CYS  69   2.515   1.212   3.007
  574   2HB   CYS  69          HB1       CYS  69   1.815  -0.237   2.294
  575    HG   CYS  69           HG       CYS  69   2.022   2.826   1.064
  576    H    THR  70           HN       THR  70   0.557  -1.319   4.866
  577    HA   THR  70           HA       THR  70   1.449   0.063   7.311
  578    HB   THR  70           HB       THR  70  -0.823  -0.988   7.390
  579    HG1  THR  70           HG1      THR  70   0.279  -0.741   9.341
  580   1HG2  THR  70          HG21      THR  70  -0.991  -3.435   7.539
  581   2HG2  THR  70          HG22      THR  70   0.724  -3.573   7.154
  582   3HG2  THR  70          HG23      THR  70  -0.397  -2.924   5.958
  583    H    LYS  71           HN       LYS  71   2.709  -1.677   4.908
  584    HA   LYS  71           HA       LYS  71   4.262  -3.520   6.567
  585   1HB   LYS  71          HB2       LYS  71   3.185  -3.708   3.998
  586   2HB   LYS  71          HB1       LYS  71   4.912  -3.522   3.741
  587   1HG   LYS  71          HG2       LYS  71   3.668  -5.601   5.527
  588   2HG   LYS  71          HG1       LYS  71   4.168  -5.873   3.858
  589   1HD   LYS  71          HD2       LYS  71   6.471  -5.285   4.466
  590   2HD   LYS  71          HD1       LYS  71   5.959  -5.049   6.141
  591   1HE   LYS  71          HE2       LYS  71   5.211  -7.403   6.206
  592   2HE   LYS  71          HE1       LYS  71   5.828  -7.622   4.569
  593   1HZ   LYS  71          HZ1       LYS  71   7.413  -8.409   6.188
  594   2HZ   LYS  71          HZ2       LYS  71   7.431  -6.901   6.963
  595   3HZ   LYS  71          HZ3       LYS  71   8.045  -7.053   5.393
  596    H    ASN  72           HN       ASN  72   6.327  -3.182   7.058
  597    HA   ASN  72           HA       ASN  72   7.568  -0.697   6.226
  598   1HB   ASN  72          HB2       ASN  72   8.511  -2.886   8.093
  599   2HB   ASN  72          HB1       ASN  72   9.422  -1.420   7.759
  600   1HD2  ASN  72          HD21      ASN  72   5.929  -1.667   8.146
  601   2HD2  ASN  72          HD22      ASN  72   5.834  -0.719   9.592
  602    H    LEU  73           HN       LEU  73   8.676  -0.561   4.415
  603    HA   LEU  73           HA       LEU  73   9.565  -3.054   3.152
  604   1HB   LEU  73          HB2       LEU  73   9.262  -0.287   1.984
  605   2HB   LEU  73          HB1       LEU  73   9.658  -1.741   1.089
  606    HG   LEU  73           HG       LEU  73   7.054  -1.299   2.560
  607   1HD1  LEU  73          HD11      LEU  73   7.697  -1.094  -0.379
  608   2HD1  LEU  73          HD12      LEU  73   7.246   0.236   0.691
  609   3HD1  LEU  73          HD13      LEU  73   6.081  -1.037   0.325
  610   1HD2  LEU  73          HD21      LEU  73   6.308  -3.267   1.332
  611   2HD2  LEU  73          HD22      LEU  73   7.700  -3.651   2.345
  612   3HD2  LEU  73          HD23      LEU  73   7.907  -3.434   0.605
  613    HA   PRO  74           HA       PRO  74  13.829  -2.107   4.151
  614   1HB   PRO  74          HB2       PRO  74  14.314  -4.078   1.990
  615   2HB   PRO  74          HB1       PRO  74  14.894  -4.073   3.659
  616   1HG   PRO  74          HG2       PRO  74  12.981  -5.760   2.885
  617   2HG   PRO  74          HG1       PRO  74  12.932  -4.992   4.483
  618   1HD   PRO  74          HD2       PRO  74  11.394  -4.310   2.005
  619   2HD   PRO  74          HD1       PRO  74  10.845  -4.357   3.693
  620    H    LYS  75           HN       LYS  75  15.404  -0.856   3.235
  621    HA   LYS  75           HA       LYS  75  14.768   0.213   0.558
  622   1HB   LYS  75          HB2       LYS  75  14.131   1.579   2.670
  623   2HB   LYS  75          HB1       LYS  75  15.857   1.873   2.818
  624   1HG   LYS  75          HG2       LYS  75  15.927   3.067   0.784
  625   2HG   LYS  75          HG1       LYS  75  14.309   2.522   0.327
  626   1HD   LYS  75          HD2       LYS  75  13.399   3.745   2.279
  627   2HD   LYS  75          HD1       LYS  75  15.018   4.361   2.609
  628   1HE   LYS  75          HE2       LYS  75  15.050   5.455   0.431
  629   2HE   LYS  75          HE1       LYS  75  13.442   4.821   0.080
  630   1HZ   LYS  75          HZ1       LYS  75  13.525   7.172   0.898
  631   2HZ   LYS  75          HZ2       LYS  75  14.016   6.570   2.407
  632   3HZ   LYS  75          HZ3       LYS  75  12.502   6.148   1.774
  633    H    ASP  76           HN       ASP  76  16.667  -1.821   1.240
  634    HA   ASP  76           HA       ASP  76  19.285  -0.914   1.594
  635   1HB   ASP  76          HB2       ASP  76  18.270  -3.397   0.196
  636   2HB   ASP  76          HB1       ASP  76  19.948  -3.123   0.660
  637    H    SER  77           HN       SER  77  20.132   0.611   0.356
  638    HA   SER  77           HA       SER  77  20.523   0.034  -2.473
  639   1HB   SER  77          HB2       SER  77  19.953   2.491  -2.961
  640   2HB   SER  77          HB1       SER  77  18.595   1.407  -2.654
  641    HG   SER  77           HG       SER  77  18.432   2.221  -0.584
  642    H    LEU  78           HN       LEU  78  22.433  -0.356  -0.742
  643    HA   LEU  78           HA       LEU  78  23.910   1.770   0.267
  644   1HB   LEU  78          HB2       LEU  78  24.804  -0.979  -0.580
  645   2HB   LEU  78          HB1       LEU  78  25.853   0.160   0.235
  646    HG   LEU  78           HG       LEU  78  25.089  -1.332   1.895
  647   1HD1  LEU  78          HD11      LEU  78  25.087   1.002   2.578
  648   2HD1  LEU  78          HD12      LEU  78  23.833   0.089   3.417
  649   3HD1  LEU  78          HD13      LEU  78  23.402   1.155   2.081
  650   1HD2  LEU  78          HD21      LEU  78  23.218  -2.325   0.695
  651   2HD2  LEU  78          HD22      LEU  78  22.277  -0.849   0.914
  652   3HD2  LEU  78          HD23      LEU  78  22.729  -1.822   2.314
  653    H    GLU  79           HN       GLU  79  24.073   0.236  -2.882
  654    HA   GLU  79           HA       GLU  79  26.160   2.097  -3.705
  655   1HB   GLU  79          HB2       GLU  79  26.309  -0.309  -4.353
  656   2HB   GLU  79          HB1       GLU  79  24.844  -0.108  -5.305
  657   1HG   GLU  79          HG2       GLU  79  25.950   1.465  -6.756
  658   2HG   GLU  79          HG1       GLU  79  27.398   1.424  -5.750
  659    H    HIS  80           HN       HIS  80  25.521   4.031  -4.337
  660    HA   HIS  80           HA       HIS  80  22.783   4.576  -4.974
  661   1HB   HIS  80          HB2       HIS  80  25.246   6.332  -5.115
  662   2HB   HIS  80          HB1       HIS  80  23.602   6.906  -5.371
  663    HD1  HIS  80           HD1      HIS  80  22.847   8.125  -3.358
  664    HD2  HIS  80           HD2      HIS  80  25.177   4.821  -2.376
  665    HE1  HIS  80           HE1      HIS  80  22.897   8.048  -0.842
  666    HE2  HIS  80           HE2      HIS  80  24.426   6.122  -0.276
  667    H    HIS  81           HN       HIS  81  21.974   5.424  -6.963
  668    HA   HIS  81           HA       HIS  81  22.870   3.823  -9.138
  669   1HB   HIS  81          HB2       HIS  81  20.726   5.925  -8.902
  670   2HB   HIS  81          HB1       HIS  81  21.077   5.108 -10.422
  671    HD1  HIS  81           HD1      HIS  81  18.583   4.940  -8.113
  672    HD2  HIS  81           HD2      HIS  81  21.227   2.042  -9.510
  673    HE1  HIS  81           HE1      HIS  81  17.478   2.725  -7.648
  674    HE2  HIS  81           HE2      HIS  81  19.054   0.986  -8.576
  675    H    HIS  82           HN       HIS  82  24.660   4.247 -10.160
  676    HA   HIS  82           HA       HIS  82  26.167   5.242 -11.516
  677   1HB   HIS  82          HB2       HIS  82  23.795   6.990 -11.947
  678   2HB   HIS  82          HB1       HIS  82  25.354   7.540 -12.551
  679    HD1  HIS  82           HD1      HIS  82  23.140   4.445 -12.808
  680    HD2  HIS  82           HD2      HIS  82  25.970   6.571 -14.996
  681    HE1  HIS  82           HE1      HIS  82  23.232   3.336 -15.061
  682    HE2  HIS  82           HE2      HIS  82  25.027   4.565 -16.333
  683    H    HIS  83           HN       HIS  83  27.721   5.615 -10.008
  684    HA   HIS  83           HA       HIS  83  27.852   8.338  -8.913
  685   1HB   HIS  83          HB2       HIS  83  29.567   7.572  -7.423
  686   2HB   HIS  83          HB1       HIS  83  28.283   6.372  -7.375
  687    HD1  HIS  83           HD1      HIS  83  28.792   4.046  -8.490
  688    HD2  HIS  83           HD2      HIS  83  32.018   6.672  -8.318
  689    HE1  HIS  83           HE1      HIS  83  30.835   2.653  -8.955
  690    HE2  HIS  83           HE2      HIS  83  32.782   4.232  -8.680
  691    H    HIS  84           HN       HIS  84  29.924   9.525  -9.214
  692    HA   HIS  84           HA       HIS  84  31.017   8.852 -11.869
  693   1HB   HIS  84          HB2       HIS  84  31.138  11.159 -12.446
  694   2HB   HIS  84          HB1       HIS  84  29.524  10.888 -11.805
  695    HD1  HIS  84           HD1      HIS  84  32.800  12.573 -10.962
  696    HD2  HIS  84           HD2      HIS  84  28.895  12.342  -9.526
  697    HE1  HIS  84           HE1      HIS  84  32.602  14.376  -9.229
  698    HE2  HIS  84           HE2      HIS  84  30.175  14.378  -8.572
  699    H    HIS  85           HN       HIS  85  33.105  10.040 -12.300
  700    HA   HIS  85           HA       HIS  85  34.735  10.363  -9.887
  701   1HB   HIS  85          HB2       HIS  85  36.661   9.309 -11.176
  702   2HB   HIS  85          HB1       HIS  85  35.410   8.201 -10.632
  703    HD1  HIS  85           HD1      HIS  85  36.887   9.693 -13.728
  704    HD2  HIS  85           HD2      HIS  85  33.940   6.961 -12.670
  705    HE1  HIS  85           HE1      HIS  85  36.265   8.509 -15.858
  706    HE2  HIS  85           HE2      HIS  85  34.500   6.836 -15.197
  Start of MODEL    5
    1   1H    MET   1          HT1       MET   1 -25.123  -5.379   5.799
    2   2H    MET   1          HT2       MET   1 -23.966  -4.397   5.039
    3   3H    MET   1          HT3       MET   1 -25.314  -3.693   5.784
    4    HA   MET   1           HA       MET   1 -24.583  -4.325   7.933
    5   1HB   MET   1          HB2       MET   1 -22.564  -5.556   8.328
    6   2HB   MET   1          HB1       MET   1 -23.520  -6.473   7.178
    7   1HG   MET   1          HG2       MET   1 -21.204  -4.695   6.452
    8   2HG   MET   1          HG1       MET   1 -21.113  -6.443   6.654
    9   1HE   MET   1          HE1       MET   1 -20.159  -4.843   4.049
   10   2HE   MET   1          HE2       MET   1 -20.760  -5.904   2.776
   11   3HE   MET   1          HE3       MET   1 -20.014  -6.591   4.220
   12    H    HIS   2           HN       HIS   2 -22.333  -3.457   8.949
   13    HA   HIS   2           HA       HIS   2 -22.021  -0.821   7.924
   14   1HB   HIS   2          HB2       HIS   2 -20.597  -2.350  10.094
   15   2HB   HIS   2          HB1       HIS   2 -20.096  -0.731   9.620
   16    HD1  HIS   2           HD1      HIS   2 -21.655  -1.958  12.329
   17    HD2  HIS   2           HD2      HIS   2 -23.001   0.719   9.441
   18    HE1  HIS   2           HE1      HIS   2 -23.512  -0.652  13.418
   19    HE2  HIS   2           HE2      HIS   2 -24.332   0.945  11.648
   20    H    LYS   3           HN       LYS   3 -19.832   0.093   7.432
   21    HA   LYS   3           HA       LYS   3 -18.884  -1.325   5.137
   22   1HB   LYS   3          HB2       LYS   3 -17.767   1.208   6.349
   23   2HB   LYS   3          HB1       LYS   3 -17.582   0.648   4.689
   24   1HG   LYS   3          HG2       LYS   3 -19.972   0.911   4.318
   25   2HG   LYS   3          HG1       LYS   3 -20.178   1.451   5.985
   26   1HD   LYS   3          HD2       LYS   3 -18.645   3.343   5.499
   27   2HD   LYS   3          HD1       LYS   3 -18.616   2.831   3.809
   28   1HE   LYS   3          HE2       LYS   3 -21.107   3.048   3.788
   29   2HE   LYS   3          HE1       LYS   3 -21.002   3.759   5.398
   30   1HZ   LYS   3          HZ1       LYS   3 -19.823   4.831   2.894
   31   2HZ   LYS   3          HZ2       LYS   3 -19.547   5.488   4.440
   32   3HZ   LYS   3          HZ3       LYS   3 -21.110   5.494   3.781
   33    H    ASP   4           HN       ASP   4 -16.555  -1.715   4.712
   34    HA   ASP   4           HA       ASP   4 -15.284  -2.737   7.165
   35   1HB   ASP   4          HB2       ASP   4 -16.448  -4.511   5.821
   36   2HB   ASP   4          HB1       ASP   4 -15.346  -4.158   4.496
   37    H    ILE   5           HN       ILE   5 -12.953  -3.103   6.975
   38    HA   ILE   5           HA       ILE   5 -11.695  -0.885   5.665
   39    HB   ILE   5           HB       ILE   5 -10.480  -3.173   7.225
   40   1HG1  ILE   5          HG12      ILE   5 -11.971  -1.740   8.560
   41   2HG1  ILE   5          HG11      ILE   5 -10.292  -1.546   9.048
   42   1HG2  ILE   5          HG21      ILE   5  -8.847  -2.224   5.711
   43   2HG2  ILE   5          HG22      ILE   5  -8.479  -1.743   7.368
   44   3HG2  ILE   5          HG23      ILE   5  -9.244  -0.597   6.265
   45   1HD1  ILE   5          HD11      ILE   5 -11.876   0.336   7.313
   46   2HD1  ILE   5          HD12      ILE   5 -10.177   0.531   7.741
   47   3HD1  ILE   5          HD13      ILE   5 -11.416   0.591   8.996
   48    H    PHE   6           HN       PHE   6 -11.278  -0.926   3.583
   49    HA   PHE   6           HA       PHE   6 -11.011  -3.229   1.975
   50   1HB   PHE   6          HB2       PHE   6 -11.659  -1.053   1.054
   51   2HB   PHE   6          HB1       PHE   6 -10.097  -0.378   1.498
   52    HD1  PHE   6           HD1      PHE   6 -11.809  -2.738  -0.752
   53    HD2  PHE   6           HD2      PHE   6  -8.200  -0.655   0.114
   54    HE1  PHE   6           HE1      PHE   6 -10.925  -3.354  -2.963
   55    HE2  PHE   6           HE2      PHE   6  -7.311  -1.272  -2.091
   56    HZ   PHE   6           HZ       PHE   6  -8.672  -2.621  -3.634
   57    H    THR   7           HN       THR   7  -9.445  -4.666   2.437
   58    HA   THR   7           HA       THR   7  -6.714  -3.613   2.781
   59    HB   THR   7           HB       THR   7  -7.714  -6.312   3.730
   60    HG1  THR   7           HG1      THR   7  -8.601  -4.174   4.692
   61   1HG2  THR   7          HG21      THR   7  -5.713  -6.238   5.153
   62   2HG2  THR   7          HG22      THR   7  -5.267  -4.685   4.441
   63   3HG2  THR   7          HG23      THR   7  -5.293  -6.140   3.443
   64    H    SER   8           HN       SER   8  -5.340  -4.104   1.133
   65    HA   SER   8           HA       SER   8  -5.681  -6.571  -0.376
   66   1HB   SER   8          HB2       SER   8  -5.801  -3.849  -1.706
   67   2HB   SER   8          HB1       SER   8  -5.708  -5.393  -2.556
   68    HG   SER   8           HG       SER   8  -7.703  -5.521  -0.799
   69    H    VAL   9           HN       VAL   9  -3.933  -6.164  -2.411
   70    HA   VAL   9           HA       VAL   9  -1.446  -5.287  -1.093
   71    HB   VAL   9           HB       VAL   9  -1.715  -7.580  -3.052
   72   1HG1  VAL   9          HG11      VAL   9   0.651  -6.604  -1.457
   73   2HG1  VAL   9          HG12      VAL   9   0.432  -6.458  -3.201
   74   3HG1  VAL   9          HG13      VAL   9   0.620  -8.050  -2.467
   75   1HG2  VAL   9          HG21      VAL   9  -1.285  -7.633  -0.065
   76   2HG2  VAL   9          HG22      VAL   9  -1.163  -9.031  -1.133
   77   3HG2  VAL   9          HG23      VAL   9  -2.709  -8.205  -0.935
   78    H    VAL  10           HN       VAL  10  -0.230  -3.868  -2.228
   79    HA   VAL  10           HA       VAL  10  -1.103  -3.264  -4.975
   80    HB   VAL  10           HB       VAL  10  -1.387  -1.456  -3.232
   81   1HG1  VAL  10          HG11      VAL  10   1.621  -1.401  -3.341
   82   2HG1  VAL  10          HG12      VAL  10   0.625  -1.820  -1.947
   83   3HG1  VAL  10          HG13      VAL  10   0.602  -0.176  -2.586
   84   1HG2  VAL  10          HG21      VAL  10  -0.538   0.340  -4.673
   85   2HG2  VAL  10          HG22      VAL  10  -1.362  -0.920  -5.591
   86   3HG2  VAL  10          HG23      VAL  10   0.400  -0.846  -5.580
   87    H    ARG  11           HN       ARG  11   0.574  -2.607  -6.481
   88    HA   ARG  11           HA       ARG  11   2.928  -4.286  -6.133
   89   1HB   ARG  11          HB2       ARG  11   1.760  -2.918  -8.566
   90   2HB   ARG  11          HB1       ARG  11   3.206  -3.924  -8.591
   91   1HG   ARG  11          HG2       ARG  11   2.014  -5.867  -8.109
   92   2HG   ARG  11          HG1       ARG  11   0.625  -4.974  -7.496
   93   1HD   ARG  11          HD2       ARG  11   0.042  -5.910  -9.613
   94   2HD   ARG  11          HD1       ARG  11   0.200  -4.168  -9.804
   95    HE   ARG  11           HE       ARG  11   2.194  -4.505 -11.025
   96   1HH1  ARG  11          HH11      ARG  11   0.714  -7.526 -10.037
   97   2HH1  ARG  11          HH12      ARG  11   1.431  -8.447 -11.328
   98   1HH2  ARG  11          HH21      ARG  11   3.134  -5.694 -12.707
   99   2HH2  ARG  11          HH22      ARG  11   2.827  -7.405 -12.847
  100    H    VAL  12           HN       VAL  12   4.953  -3.549  -5.957
  101    HA   VAL  12           HA       VAL  12   5.168  -0.691  -5.354
  102    HB   VAL  12           HB       VAL  12   7.224  -2.761  -4.629
  103   1HG1  VAL  12          HG11      VAL  12   7.838  -0.445  -4.243
  104   2HG1  VAL  12          HG12      VAL  12   7.585  -1.273  -2.704
  105   3HG1  VAL  12          HG13      VAL  12   6.349  -0.186  -3.332
  106   1HG2  VAL  12          HG21      VAL  12   6.044  -3.101  -2.517
  107   2HG2  VAL  12          HG22      VAL  12   5.102  -3.657  -3.900
  108   3HG2  VAL  12          HG23      VAL  12   4.708  -2.123  -3.120
  109    H    ARG  13           HN       ARG  13   6.847   0.561  -6.051
  110    HA   ARG  13           HA       ARG  13   8.280  -0.421  -8.435
  111   1HB   ARG  13          HB2       ARG  13   6.578   1.074  -9.140
  112   2HB   ARG  13          HB1       ARG  13   6.911   2.195  -7.836
  113   1HG   ARG  13          HG2       ARG  13   9.038   2.783  -8.907
  114   2HG   ARG  13          HG1       ARG  13   8.663   1.670 -10.227
  115   1HD   ARG  13          HD2       ARG  13   6.708   2.943 -10.813
  116   2HD   ARG  13          HD1       ARG  13   6.912   3.985  -9.409
  117    HE   ARG  13           HE       ARG  13   9.230   4.139 -10.987
  118   1HH1  ARG  13          HH11      ARG  13   5.829   5.032 -11.126
  119   2HH1  ARG  13          HH12      ARG  13   6.113   6.421 -12.133
  120   1HH2  ARG  13          HH21      ARG  13   9.584   5.953 -12.329
  121   2HH2  ARG  13          HH22      ARG  13   8.240   6.942 -12.827
  122    H    GLY  14           HN       GLY  14  10.461   0.138  -8.631
  123   1HA   GLY  14          HA2       GLY  14  12.218   1.737  -8.308
  124   2HA   GLY  14          HA1       GLY  14  11.484   2.186  -6.778
  125    H    SER  15           HN       SER  15  13.791   1.929  -6.119
  126    HA   SER  15           HA       SER  15  14.891  -0.705  -6.007
  127   1HB   SER  15          HB2       SER  15  16.603   0.435  -4.518
  128   2HB   SER  15          HB1       SER  15  16.435   1.106  -6.140
  129    HG   SER  15           HG       SER  15  15.079   2.124  -3.863
  130    H    LYS  16           HN       LYS  16  13.714  -2.113  -4.870
  131    HA   LYS  16           HA       LYS  16  13.739  -1.890  -2.017
  132   1HB   LYS  16          HB2       LYS  16  11.215  -2.432  -1.905
  133   2HB   LYS  16          HB1       LYS  16  11.704  -0.763  -2.146
  134   1HG   LYS  16          HG2       LYS  16   9.821  -1.284  -3.552
  135   2HG   LYS  16          HG1       LYS  16  11.244  -0.992  -4.555
  136   1HD   LYS  16          HD2       LYS  16  11.566  -3.383  -4.833
  137   2HD   LYS  16          HD1       LYS  16  10.205  -3.716  -3.765
  138   1HE   LYS  16          HE2       LYS  16   9.248  -3.970  -5.836
  139   2HE   LYS  16          HE1       LYS  16   8.876  -2.282  -5.484
  140   1HZ   LYS  16          HZ1       LYS  16  10.884  -1.673  -6.781
  141   2HZ   LYS  16          HZ2       LYS  16   9.691  -2.437  -7.708
  142   3HZ   LYS  16          HZ3       LYS  16  11.062  -3.301  -7.220
  143    H    LYS  17           HN       LYS  17  12.742  -3.924  -1.031
  144    HA   LYS  17           HA       LYS  17  13.820  -6.172  -2.492
  145   1HB   LYS  17          HB2       LYS  17  12.707  -5.874   0.294
  146   2HB   LYS  17          HB1       LYS  17  13.232  -7.418  -0.363
  147   1HG   LYS  17          HG2       LYS  17  15.012  -4.999  -0.184
  148   2HG   LYS  17          HG1       LYS  17  14.913  -6.245   1.064
  149   1HD   LYS  17          HD2       LYS  17  15.636  -7.932  -0.508
  150   2HD   LYS  17          HD1       LYS  17  15.628  -6.757  -1.822
  151   1HE   LYS  17          HE2       LYS  17  17.421  -5.520  -0.784
  152   2HE   LYS  17          HE1       LYS  17  17.371  -6.572   0.630
  153   1HZ   LYS  17          HZ1       LYS  17  18.161  -8.385  -0.643
  154   2HZ   LYS  17          HZ2       LYS  17  19.176  -7.077  -1.000
  155   3HZ   LYS  17          HZ3       LYS  17  17.975  -7.551  -2.104
  156    H    TYR  18           HN       TYR  18  10.688  -5.396  -0.982
  157    HA   TYR  18           HA       TYR  18   9.486  -7.732  -2.206
  158   1HB   TYR  18          HB2       TYR  18   8.208  -5.602  -0.479
  159   2HB   TYR  18          HB1       TYR  18   7.503  -7.156  -0.909
  160    HD1  TYR  18           HD1      TYR  18   8.673  -9.269  -0.064
  161    HD2  TYR  18           HD2      TYR  18   9.541  -5.381   1.432
  162    HE1  TYR  18           HE1      TYR  18   9.650 -10.272   1.958
  163    HE2  TYR  18           HE2      TYR  18  10.522  -6.374   3.455
  164    HH   TYR  18           HH       TYR  18  11.335  -9.612   3.728
  165    H    ASN  19           HN       ASN  19   8.378  -7.733  -4.048
  166    HA   ASN  19           HA       ASN  19   8.082  -5.285  -5.533
  167   1HB   ASN  19          HB2       ASN  19   7.382  -8.153  -6.160
  168   2HB   ASN  19          HB1       ASN  19   7.041  -6.826  -7.263
  169   1HD2  ASN  19          HD21      ASN  19   8.729  -5.795  -8.302
  170   2HD2  ASN  19          HD22      ASN  19  10.324  -6.457  -8.357
  171    H    VAL  20           HN       VAL  20   6.168  -6.976  -3.329
  172    HA   VAL  20           HA       VAL  20   3.858  -5.336  -4.064
  173    HB   VAL  20           HB       VAL  20   2.341  -7.222  -3.377
  174   1HG1  VAL  20          HG11      VAL  20   2.660  -6.643  -5.719
  175   2HG1  VAL  20          HG12      VAL  20   2.475  -8.387  -5.529
  176   3HG1  VAL  20          HG13      VAL  20   4.074  -7.693  -5.800
  177   1HG2  VAL  20          HG21      VAL  20   3.982  -8.573  -2.169
  178   2HG2  VAL  20          HG22      VAL  20   4.850  -8.873  -3.675
  179   3HG2  VAL  20          HG23      VAL  20   3.217  -9.504  -3.457
  180    H    VAL  21           HN       VAL  21   2.764  -4.455  -2.364
  181    HA   VAL  21           HA       VAL  21   3.543  -5.291   0.342
  182    HB   VAL  21           HB       VAL  21   3.620  -2.886   1.047
  183   1HG1  VAL  21          HG11      VAL  21   5.657  -3.718  -0.999
  184   2HG1  VAL  21          HG12      VAL  21   5.664  -4.138   0.714
  185   3HG1  VAL  21          HG13      VAL  21   5.872  -2.458   0.216
  186   1HG2  VAL  21          HG21      VAL  21   2.376  -1.917  -0.815
  187   2HG2  VAL  21          HG22      VAL  21   3.692  -2.341  -1.912
  188   3HG2  VAL  21          HG23      VAL  21   3.958  -1.160  -0.630
  189    HA   PRO  22           HA       PRO  22  -0.846  -5.227   0.893
  190   1HB   PRO  22          HB2       PRO  22  -0.912  -5.425   3.600
  191   2HB   PRO  22          HB1       PRO  22  -0.519  -6.786   2.541
  192   1HG   PRO  22          HG2       PRO  22   1.321  -4.976   4.060
  193   2HG   PRO  22          HG1       PRO  22   1.385  -6.739   3.877
  194   1HD   PRO  22          HD2       PRO  22   2.945  -5.074   2.429
  195   2HD   PRO  22          HD1       PRO  22   2.340  -6.613   1.781
  196    H    VAL  23           HN       VAL  23  -2.266  -3.643   0.961
  197    HA   VAL  23           HA       VAL  23  -1.708  -1.266   2.599
  198    HB   VAL  23           HB       VAL  23  -2.959   0.070   0.925
  199   1HG1  VAL  23          HG11      VAL  23  -1.188   0.142  -0.763
  200   2HG1  VAL  23          HG12      VAL  23  -0.569  -1.400  -0.174
  201   3HG1  VAL  23          HG13      VAL  23  -0.529   0.022   0.867
  202   1HG2  VAL  23          HG21      VAL  23  -2.842  -2.449  -0.731
  203   2HG2  VAL  23          HG22      VAL  23  -3.369  -0.867  -1.305
  204   3HG2  VAL  23          HG23      VAL  23  -4.296  -1.707  -0.062
  205    H    LYS  24           HN       LYS  24  -3.714  -0.037   3.106
  206    HA   LYS  24           HA       LYS  24  -6.158  -1.595   3.189
  207   1HB   LYS  24          HB2       LYS  24  -6.411  -1.250   5.643
  208   2HB   LYS  24          HB1       LYS  24  -5.113  -2.354   5.216
  209   1HG   LYS  24          HG2       LYS  24  -3.484  -0.548   5.568
  210   2HG   LYS  24          HG1       LYS  24  -4.803   0.529   6.034
  211   1HD   LYS  24          HD2       LYS  24  -3.667  -0.412   7.995
  212   2HD   LYS  24          HD1       LYS  24  -5.353  -0.926   7.908
  213   1HE   LYS  24          HE2       LYS  24  -4.624  -3.057   6.912
  214   2HE   LYS  24          HE1       LYS  24  -2.948  -2.539   7.063
  215   1HZ   LYS  24          HZ1       LYS  24  -3.658  -4.015   8.866
  216   2HZ   LYS  24          HZ2       LYS  24  -4.826  -2.880   9.342
  217   3HZ   LYS  24          HZ3       LYS  24  -3.177  -2.494   9.446
  218    H    SER  25           HN       SER  25  -7.817  -0.177   4.557
  219    HA   SER  25           HA       SER  25  -7.635   2.501   3.341
  220   1HB   SER  25          HB2       SER  25 -10.104   2.497   3.428
  221   2HB   SER  25          HB1       SER  25  -9.477   1.126   2.514
  222    HG   SER  25           HG       SER  25 -10.303   1.063   5.232
  223    H    ASN  26           HN       ASN  26  -7.634   4.256   4.535
  224    HA   ASN  26           HA       ASN  26  -7.204   4.326   7.259
  225   1HB   ASN  26          HB2       ASN  26  -6.662   6.180   5.768
  226   2HB   ASN  26          HB1       ASN  26  -8.370   6.476   5.477
  227   1HD2  ASN  26          HD21      ASN  26  -8.210   8.593   6.191
  228   2HD2  ASN  26          HD22      ASN  26  -8.053   8.983   7.866
  229    H    LYS  27           HN       LYS  27 -10.279   4.655   5.526
  230    HA   LYS  27           HA       LYS  27 -11.637   4.283   8.105
  231   1HB   LYS  27          HB2       LYS  27 -12.586   6.055   5.837
  232   2HB   LYS  27          HB1       LYS  27 -13.512   5.684   7.283
  233   1HG   LYS  27          HG2       LYS  27 -11.511   6.680   8.558
  234   2HG   LYS  27          HG1       LYS  27 -11.058   7.367   7.001
  235   1HD   LYS  27          HD2       LYS  27 -13.690   7.793   8.419
  236   2HD   LYS  27          HD1       LYS  27 -12.360   8.946   8.355
  237   1HE   LYS  27          HE2       LYS  27 -13.639   9.769   6.662
  238   2HE   LYS  27          HE1       LYS  27 -12.678   8.612   5.747
  239   1HZ   LYS  27          HZ1       LYS  27 -15.394   8.078   6.837
  240   2HZ   LYS  27          HZ2       LYS  27 -14.481   7.030   5.867
  241   3HZ   LYS  27          HZ3       LYS  27 -15.055   8.489   5.226
  242    HA   PRO  28           HA       PRO  28 -13.619   0.776   6.336
  243   1HB   PRO  28          HB2       PRO  28 -16.195   1.144   7.280
  244   2HB   PRO  28          HB1       PRO  28 -14.876   0.410   8.197
  245   1HG   PRO  28          HG2       PRO  28 -15.909   3.213   8.275
  246   2HG   PRO  28          HG1       PRO  28 -15.374   2.176   9.611
  247   1HD   PRO  28          HD2       PRO  28 -13.807   4.119   8.648
  248   2HD   PRO  28          HD1       PRO  28 -13.127   2.564   9.174
  249    H    VAL  29           HN       VAL  29 -14.277   0.447   4.339
  250    HA   VAL  29           HA       VAL  29 -15.965   2.495   3.056
  251    HB   VAL  29           HB       VAL  29 -13.632   2.603   2.283
  252   1HG1  VAL  29          HG11      VAL  29 -12.692   0.753   0.954
  253   2HG1  VAL  29          HG12      VAL  29 -14.066  -0.249   1.424
  254   3HG1  VAL  29          HG13      VAL  29 -12.939   0.335   2.650
  255   1HG2  VAL  29          HG21      VAL  29 -14.036   2.468  -0.119
  256   2HG2  VAL  29          HG22      VAL  29 -15.398   3.210   0.721
  257   3HG2  VAL  29          HG23      VAL  29 -15.504   1.536   0.176
  258    H    GLU  30           HN       GLU  30 -17.317   1.686   1.270
  259    HA   GLU  30           HA       GLU  30 -18.585  -0.770   2.019
  260   1HB   GLU  30          HB2       GLU  30 -19.084   0.832  -0.492
  261   2HB   GLU  30          HB1       GLU  30 -20.179  -0.294   0.293
  262   1HG   GLU  30          HG2       GLU  30 -21.075   1.679   0.977
  263   2HG   GLU  30          HG1       GLU  30 -19.954   1.376   2.302
  264    H    ILE  31           HN       ILE  31 -18.601  -2.727   0.944
  265    HA   ILE  31           HA       ILE  31 -16.264  -3.383  -0.531
  266    HB   ILE  31           HB       ILE  31 -17.284  -5.629  -0.793
  267   1HG1  ILE  31          HG12      ILE  31 -19.600  -4.441   0.757
  268   2HG1  ILE  31          HG11      ILE  31 -19.645  -4.850  -0.954
  269   1HG2  ILE  31          HG21      ILE  31 -15.965  -5.120   1.175
  270   2HG2  ILE  31          HG22      ILE  31 -17.310  -6.176   1.610
  271   3HG2  ILE  31          HG23      ILE  31 -17.385  -4.454   1.983
  272   1HD1  ILE  31          HD11      ILE  31 -19.258  -7.199  -0.390
  273   2HD1  ILE  31          HD12      ILE  31 -20.715  -6.563   0.374
  274   3HD1  ILE  31          HD13      ILE  31 -19.243  -6.777   1.323
  275    H    SER  32           HN       SER  32 -19.132  -1.958  -1.479
  276    HA   SER  32           HA       SER  32 -19.491  -3.057  -4.050
  277   1HB   SER  32          HB2       SER  32 -20.631  -0.800  -4.470
  278   2HB   SER  32          HB1       SER  32 -21.276  -1.774  -3.146
  279    HG   SER  32           HG       SER  32 -20.955   0.427  -2.545
  280    H    LYS  33           HN       LYS  33 -17.227  -0.798  -2.718
  281    HA   LYS  33           HA       LYS  33 -16.322   0.031  -5.383
  282   1HB   LYS  33          HB2       LYS  33 -15.482   1.016  -2.649
  283   2HB   LYS  33          HB1       LYS  33 -14.953   1.684  -4.186
  284   1HG   LYS  33          HG2       LYS  33 -17.244   2.357  -4.690
  285   2HG   LYS  33          HG1       LYS  33 -17.783   1.673  -3.154
  286   1HD   LYS  33          HD2       LYS  33 -16.264   3.233  -1.976
  287   2HD   LYS  33          HD1       LYS  33 -15.846   3.958  -3.530
  288   1HE   LYS  33          HE2       LYS  33 -17.545   5.268  -2.352
  289   2HE   LYS  33          HE1       LYS  33 -18.170   4.610  -3.863
  290   1HZ   LYS  33          HZ1       LYS  33 -19.327   2.920  -2.673
  291   2HZ   LYS  33          HZ2       LYS  33 -19.713   4.403  -1.951
  292   3HZ   LYS  33          HZ3       LYS  33 -18.604   3.360  -1.202
  293    H    TRP  34           HN       TRP  34 -15.797  -2.501  -3.459
  294    HA   TRP  34           HA       TRP  34 -13.070  -2.637  -2.933
  295   1HB   TRP  34          HB2       TRP  34 -14.742  -4.239  -2.056
  296   2HB   TRP  34          HB1       TRP  34 -14.911  -4.927  -3.665
  297    HD1  TRP  34           HD1      TRP  34 -12.714  -6.276  -4.633
  298    HE1  TRP  34           HE1      TRP  34 -10.898  -7.593  -3.369
  299    HE3  TRP  34           HE3      TRP  34 -13.445  -4.368   0.057
  300    HZ2  TRP  34           HZ2      TRP  34  -9.919  -7.803  -0.731
  301    HZ3  TRP  34           HZ3      TRP  34 -12.030  -5.186   1.896
  302    HH2  TRP  34           HH2      TRP  34 -10.304  -6.869   1.509
  303    H    ILE  35           HN       ILE  35 -14.832  -3.862  -5.768
  304    HA   ILE  35           HA       ILE  35 -12.500  -4.807  -7.073
  305    HB   ILE  35           HB       ILE  35 -13.948  -4.996  -9.090
  306   1HG1  ILE  35          HG12      ILE  35 -16.090  -3.901  -7.249
  307   2HG1  ILE  35          HG11      ILE  35 -15.399  -3.046  -8.624
  308   1HG2  ILE  35          HG21      ILE  35 -15.035  -6.124  -6.513
  309   2HG2  ILE  35          HG22      ILE  35 -13.777  -6.828  -7.527
  310   3HG2  ILE  35          HG23      ILE  35 -15.432  -6.716  -8.126
  311   1HD1  ILE  35          HD11      ILE  35 -16.273  -4.793 -10.115
  312   2HD1  ILE  35          HD12      ILE  35 -17.543  -3.969  -9.210
  313   3HD1  ILE  35          HD13      ILE  35 -17.017  -5.579  -8.724
  314    H    ASP  36           HN       ASP  36 -14.040  -1.703  -6.961
  315    HA   ASP  36           HA       ASP  36 -12.846  -0.747  -9.396
  316   1HB   ASP  36          HB2       ASP  36 -14.999   0.147  -8.547
  317   2HB   ASP  36          HB1       ASP  36 -14.147   0.830  -7.164
  318    H    PHE  37           HN       PHE  37 -12.306  -0.231  -5.927
  319    HA   PHE  37           HA       PHE  37 -10.108   1.498  -6.150
  320   1HB   PHE  37          HB2       PHE  37 -10.991  -0.406  -3.990
  321   2HB   PHE  37          HB1       PHE  37  -9.526   0.548  -3.823
  322    HD1  PHE  37           HD2      PHE  37 -12.126   2.217  -5.653
  323    HD2  PHE  37           HD1      PHE  37 -10.684   1.355  -1.740
  324    HE1  PHE  37           HE2      PHE  37 -13.447   4.086  -4.754
  325    HE2  PHE  37           HE1      PHE  37 -12.000   3.226  -0.838
  326    HZ   PHE  37           HZ       PHE  37 -13.383   4.593  -2.342
  327    H    SER  38           HN       SER  38 -10.296  -2.032  -6.039
  328    HA   SER  38           HA       SER  38  -7.503  -2.448  -5.900
  329   1HB   SER  38          HB2       SER  38  -8.150  -4.785  -6.755
  330   2HB   SER  38          HB1       SER  38  -8.816  -4.267  -5.207
  331    HG   SER  38           HG       SER  38 -10.768  -4.040  -6.087
  332    H    ASN  39           HN       ASN  39  -9.760  -2.162  -8.616
  333    HA   ASN  39           HA       ASN  39  -8.035  -2.783 -10.712
  334   1HB   ASN  39          HB2       ASN  39 -10.359  -0.891 -10.494
  335   2HB   ASN  39          HB1       ASN  39  -9.418  -0.969 -11.978
  336   1HD2  ASN  39          HD21      ASN  39 -12.201  -1.650 -11.513
  337   2HD2  ASN  39          HD22      ASN  39 -12.377  -3.305 -11.969
  338    H    VAL  40           HN       VAL  40  -8.530   0.296  -9.048
  339    HA   VAL  40           HA       VAL  40  -6.686   1.799 -10.558
  340    HB   VAL  40           HB       VAL  40  -7.528   2.228  -7.680
  341   1HG1  VAL  40          HG11      VAL  40  -6.895   4.555  -8.044
  342   2HG1  VAL  40          HG12      VAL  40  -6.358   4.163  -9.677
  343   3HG1  VAL  40          HG13      VAL  40  -5.516   3.482  -8.284
  344   1HG2  VAL  40          HG21      VAL  40  -8.702   3.316 -10.240
  345   2HG2  VAL  40          HG22      VAL  40  -9.181   3.791  -8.610
  346   3HG2  VAL  40          HG23      VAL  40  -9.456   2.139  -9.165
  347    H    LEU  41           HN       LEU  41  -6.337   0.066  -7.468
  348    HA   LEU  41           HA       LEU  41  -3.650   0.793  -7.017
  349   1HB   LEU  41          HB2       LEU  41  -5.208  -1.594  -6.036
  350   2HB   LEU  41          HB1       LEU  41  -3.621  -1.139  -5.445
  351    HG   LEU  41           HG       LEU  41  -6.144   0.504  -5.189
  352   1HD1  LEU  41          HD11      LEU  41  -4.525  -0.992  -3.132
  353   2HD1  LEU  41          HD12      LEU  41  -6.115  -1.455  -3.739
  354   3HD1  LEU  41          HD13      LEU  41  -5.924   0.030  -2.806
  355   1HD2  LEU  41          HD21      LEU  41  -4.798   1.995  -3.804
  356   2HD2  LEU  41          HD22      LEU  41  -4.164   1.912  -5.448
  357   3HD2  LEU  41          HD23      LEU  41  -3.362   1.030  -4.147
  358    H    SER  42           HN       SER  42  -5.068  -1.735  -8.964
  359    HA   SER  42           HA       SER  42  -2.674  -3.284  -9.204
  360   1HB   SER  42          HB2       SER  42  -5.144  -3.238 -10.956
  361   2HB   SER  42          HB1       SER  42  -3.883  -4.470 -10.992
  362    HG   SER  42           HG       SER  42  -5.654  -3.857  -8.859
  363    H    ARG  43           HN       ARG  43  -3.573  -0.314 -10.428
  364    HA   ARG  43           HA       ARG  43  -1.576  -0.517 -12.584
  365   1HB   ARG  43          HB2       ARG  43  -4.068   1.197 -12.495
  366   2HB   ARG  43          HB1       ARG  43  -2.840   1.272 -13.752
  367   1HG   ARG  43          HG2       ARG  43  -3.330  -0.972 -14.444
  368   2HG   ARG  43          HG1       ARG  43  -4.442  -1.185 -13.091
  369   1HD   ARG  43          HD2       ARG  43  -5.910   0.521 -14.007
  370   2HD   ARG  43          HD1       ARG  43  -4.778   0.804 -15.331
  371    HE   ARG  43           HE       ARG  43  -5.218  -1.572 -15.969
  372   1HH1  ARG  43          HH11      ARG  43  -7.577   0.256 -14.135
  373   2HH1  ARG  43          HH12      ARG  43  -8.932  -0.686 -14.696
  374   1HH2  ARG  43          HH21      ARG  43  -6.986  -2.783 -16.739
  375   2HH2  ARG  43          HH22      ARG  43  -8.589  -2.429 -16.166
  376    H    LEU  44           HN       LEU  44  -1.915   0.474  -9.594
  377    HA   LEU  44           HA       LEU  44  -0.584   3.068  -9.985
  378   1HB   LEU  44          HB2       LEU  44  -2.733   3.195  -8.786
  379   2HB   LEU  44          HB1       LEU  44  -2.130   2.060  -7.594
  380    HG   LEU  44           HG       LEU  44  -0.350   3.740  -7.017
  381   1HD1  LEU  44          HD11      LEU  44  -0.734   6.059  -7.684
  382   2HD1  LEU  44          HD12      LEU  44  -2.058   5.541  -8.727
  383   3HD1  LEU  44          HD13      LEU  44  -0.406   5.031  -9.080
  384   1HD2  LEU  44          HD21      LEU  44  -3.215   4.607  -6.671
  385   2HD2  LEU  44          HD22      LEU  44  -1.847   5.115  -5.681
  386   3HD2  LEU  44          HD23      LEU  44  -2.364   3.430  -5.672
  387    H    TYR  45           HN       TYR  45   1.525   2.539 -10.021
  388    HA   TYR  45           HA       TYR  45   2.570   0.598  -8.127
  389   1HB   TYR  45          HB2       TYR  45   3.724   2.062 -10.482
  390   2HB   TYR  45          HB1       TYR  45   4.770   1.231  -9.338
  391    HD1  TYR  45           HD1      TYR  45   1.683   0.555 -11.348
  392    HD2  TYR  45           HD2      TYR  45   5.366  -0.931  -9.825
  393    HE1  TYR  45           HE1      TYR  45   1.316  -1.562 -12.542
  394    HE2  TYR  45           HE2      TYR  45   5.013  -3.050 -11.016
  395    HH   TYR  45           HH       TYR  45   2.393  -3.465 -13.302
  396    H    VAL  46           HN       VAL  46   2.913   1.304  -6.138
  397    HA   VAL  46           HA       VAL  46   3.760   4.039  -5.653
  398    HB   VAL  46           HB       VAL  46   2.125   3.148  -4.110
  399   1HG1  VAL  46          HG11      VAL  46   2.626   0.774  -4.322
  400   2HG1  VAL  46          HG12      VAL  46   2.597   1.263  -2.628
  401   3HG1  VAL  46          HG13      VAL  46   4.139   1.004  -3.446
  402   1HG2  VAL  46          HG21      VAL  46   3.726   4.725  -3.193
  403   2HG2  VAL  46          HG22      VAL  46   4.824   3.406  -2.790
  404   3HG2  VAL  46          HG23      VAL  46   3.266   3.538  -1.973
  405    H    GLY  47           HN       GLY  47   5.838   4.616  -5.561
  406   1HA   GLY  47          HA2       GLY  47   7.777   2.415  -5.207
  407   2HA   GLY  47          HA1       GLY  47   8.006   3.720  -6.359
  408    H    VAL  48           HN       VAL  48   6.885   3.962  -3.042
  409    HA   VAL  48           HA       VAL  48   9.434   5.259  -2.356
  410    HB   VAL  48           HB       VAL  48   6.739   6.069  -1.246
  411   1HG1  VAL  48          HG11      VAL  48   9.485   7.270  -0.900
  412   2HG1  VAL  48          HG12      VAL  48   8.549   6.423   0.331
  413   3HG1  VAL  48          HG13      VAL  48   7.985   7.972  -0.296
  414   1HG2  VAL  48          HG21      VAL  48   8.474   7.482  -3.270
  415   2HG2  VAL  48          HG22      VAL  48   7.011   8.137  -2.534
  416   3HG2  VAL  48          HG23      VAL  48   6.912   6.723  -3.584
  417    HA   PRO  49           HA       PRO  49   9.064   1.534   0.395
  418   1HB   PRO  49          HB2       PRO  49  11.904   2.433   0.621
  419   2HB   PRO  49          HB1       PRO  49  11.249   0.794   0.502
  420   1HG   PRO  49          HG2       PRO  49  12.380   1.937  -1.609
  421   2HG   PRO  49          HG1       PRO  49  10.915   0.953  -1.792
  422   1HD   PRO  49          HD2       PRO  49  11.229   3.913  -1.860
  423   2HD   PRO  49          HD1       PRO  49  10.124   2.878  -2.776
  424    H    THR  50           HN       THR  50   8.213   1.951   2.320
  425    HA   THR  50           HA       THR  50   9.351   4.086   3.981
  426    HB   THR  50           HB       THR  50   6.674   4.238   4.500
  427    HG1  THR  50           HG1      THR  50   6.954   4.062   1.666
  428   1HG2  THR  50          HG21      THR  50   6.746   6.387   3.321
  429   2HG2  THR  50          HG22      THR  50   8.230   5.893   2.506
  430   3HG2  THR  50          HG23      THR  50   8.221   6.130   4.253
  431    H    LYS  51           HN       LYS  51   7.762   4.070   6.084
  432    HA   LYS  51           HA       LYS  51   7.965   1.378   7.208
  433   1HB   LYS  51          HB2       LYS  51   7.280   3.997   8.565
  434   2HB   LYS  51          HB1       LYS  51   7.644   2.475   9.361
  435   1HG   LYS  51          HG2       LYS  51   9.706   3.612   7.558
  436   2HG   LYS  51          HG1       LYS  51   9.432   4.408   9.105
  437   1HD   LYS  51          HD2       LYS  51  11.183   2.827   9.422
  438   2HD   LYS  51          HD1       LYS  51   9.744   2.180  10.207
  439   1HE   LYS  51          HE2       LYS  51   9.345   0.722   8.296
  440   2HE   LYS  51          HE1       LYS  51  10.755   1.392   7.476
  441   1HZ   LYS  51          HZ1       LYS  51  11.222  -0.743   8.563
  442   2HZ   LYS  51          HZ2       LYS  51  10.831  -0.068  10.069
  443   3HZ   LYS  51          HZ3       LYS  51  12.166   0.513   9.200
  444    H    SER  52           HN       SER  52   5.988   1.322   9.062
  445    HA   SER  52           HA       SER  52   3.663   0.857   7.477
  446   1HB   SER  52          HB2       SER  52   2.694   0.535   9.929
  447   2HB   SER  52          HB1       SER  52   3.766  -0.661   9.200
  448    HG   SER  52           HG       SER  52   4.825   1.483  10.705
  449    H    GLY  53           HN       GLY  53   1.851   2.056   7.217
  450   1HA   GLY  53          HA2       GLY  53   0.234   3.642   7.883
  451   2HA   GLY  53          HA1       GLY  53   1.414   4.351   8.978
  452    H    ASN  54           HN       ASN  54   2.178   3.573   5.661
  453    HA   ASN  54           HA       ASN  54   2.567   6.433   5.152
  454   1HB   ASN  54          HB2       ASN  54   3.803   5.760   3.149
  455   2HB   ASN  54          HB1       ASN  54   4.433   4.932   4.566
  456   1HD2  ASN  54          HD21      ASN  54   4.311   2.722   4.687
  457   2HD2  ASN  54          HD22      ASN  54   3.770   1.737   3.373
  458    H    VAL  55           HN       VAL  55   1.344   7.598   3.749
  459    HA   VAL  55           HA       VAL  55  -1.091   6.284   2.826
  460    HB   VAL  55           HB       VAL  55  -0.383   9.221   2.683
  461   1HG1  VAL  55          HG11      VAL  55  -2.800   9.527   2.379
  462   2HG1  VAL  55          HG12      VAL  55  -3.010   7.776   2.357
  463   3HG1  VAL  55          HG13      VAL  55  -2.088   8.571   1.080
  464   1HG2  VAL  55          HG21      VAL  55  -1.831   9.494   4.629
  465   2HG2  VAL  55          HG22      VAL  55  -0.460   8.448   5.002
  466   3HG2  VAL  55          HG23      VAL  55  -2.057   7.748   4.714
  467    H    VAL  56           HN       VAL  56  -0.866   5.246   0.966
  468    HA   VAL  56           HA       VAL  56   0.861   6.124  -1.142
  469    HB   VAL  56           HB       VAL  56  -1.364   4.073  -1.236
  470   1HG1  VAL  56          HG11      VAL  56  -0.712   4.816  -3.453
  471   2HG1  VAL  56          HG12      VAL  56  -0.140   3.172  -3.171
  472   3HG1  VAL  56          HG13      VAL  56   0.986   4.525  -3.075
  473   1HG2  VAL  56          HG21      VAL  56   0.269   3.499   0.468
  474   2HG2  VAL  56          HG22      VAL  56   1.582   3.712  -0.690
  475   3HG2  VAL  56          HG23      VAL  56   0.413   2.409  -0.911
  476    H    CYS  57           HN       CYS  57  -2.648   6.058  -0.642
  477    HA   CYS  57           HA       CYS  57  -2.916   8.011  -2.836
  478   1HB   CYS  57          HB2       CYS  57  -5.153   6.193  -1.994
  479   2HB   CYS  57          HB1       CYS  57  -4.907   7.011  -3.536
  480    HG   CYS  57           HG       CYS  57  -2.654   5.327  -4.152
  481    H    LYS  58           HN       LYS  58  -2.978   9.887  -1.678
  482    HA   LYS  58           HA       LYS  58  -4.514  10.153   0.736
  483   1HB   LYS  58          HB2       LYS  58  -3.399  12.350  -1.025
  484   2HB   LYS  58          HB1       LYS  58  -3.918  12.506   0.647
  485   1HG   LYS  58          HG2       LYS  58  -2.099  10.951   1.297
  486   2HG   LYS  58          HG1       LYS  58  -1.540  10.969  -0.375
  487   1HD   LYS  58          HD2       LYS  58  -1.286  13.431  -0.210
  488   2HD   LYS  58          HD1       LYS  58  -1.725  13.327   1.495
  489   1HE   LYS  58          HE2       LYS  58   0.659  13.426   1.348
  490   2HE   LYS  58          HE1       LYS  58   0.209  11.792   1.830
  491   1HZ   LYS  58          HZ1       LYS  58   1.935  11.794   0.135
  492   2HZ   LYS  58          HZ2       LYS  58   0.921  12.638  -0.927
  493   3HZ   LYS  58          HZ3       LYS  58   0.522  11.062  -0.450
  494    H    ASN  59           HN       ASN  59  -6.663   9.978   0.589
  495    HA   ASN  59           HA       ASN  59  -8.788   9.972  -0.266
  496   1HB   ASN  59          HB2       ASN  59  -7.936  12.644  -1.425
  497   2HB   ASN  59          HB1       ASN  59  -9.594  12.076  -1.285
  498   1HD2  ASN  59          HD21      ASN  59 -10.637  12.243   0.650
  499   2HD2  ASN  59          HD22      ASN  59  -9.967  13.034   2.035
  500    H    ILE  60           HN       ILE  60  -8.222   8.179  -1.616
  501    HA   ILE  60           HA       ILE  60  -6.865   8.219  -3.984
  502    HB   ILE  60           HB       ILE  60  -7.379   6.126  -2.986
  503   1HG1  ILE  60          HG12      ILE  60  -8.839   6.301  -5.631
  504   2HG1  ILE  60          HG11      ILE  60  -7.098   6.127  -5.435
  505   1HG2  ILE  60          HG21      ILE  60 -10.290   6.656  -3.556
  506   2HG2  ILE  60          HG22      ILE  60  -9.519   6.671  -1.970
  507   3HG2  ILE  60          HG23      ILE  60  -9.621   5.169  -2.888
  508   1HD1  ILE  60          HD11      ILE  60  -8.117   4.007  -5.991
  509   2HD1  ILE  60          HD12      ILE  60  -9.189   4.132  -4.597
  510   3HD1  ILE  60          HD13      ILE  60  -7.450   3.955  -4.359
  511    H    MET  61           HN       MET  61 -10.424   8.478  -3.722
  512    HA   MET  61           HA       MET  61 -10.372  10.111  -6.140
  513   1HB   MET  61          HB2       MET  61 -11.998   7.597  -5.793
  514   2HB   MET  61          HB1       MET  61 -12.490   8.868  -6.906
  515   1HG   MET  61          HG2       MET  61 -10.411   8.627  -8.134
  516   2HG   MET  61          HG1       MET  61  -9.861   7.399  -6.996
  517   1HE   MET  61          HE1       MET  61 -10.948   4.996  -6.771
  518   2HE   MET  61          HE2       MET  61 -12.376   4.482  -7.672
  519   3HE   MET  61          HE3       MET  61 -12.509   5.757  -6.460
  520    H    ASN  62           HN       ASN  62 -10.554  11.284  -3.843
  521    HA   ASN  62           HA       ASN  62 -11.763  12.736  -2.567
  522   1HB   ASN  62          HB2       ASN  62 -12.548  13.285  -4.987
  523   2HB   ASN  62          HB1       ASN  62 -14.037  12.470  -4.525
  524   1HD2  ASN  62          HD21      ASN  62 -12.028  15.255  -4.058
  525   2HD2  ASN  62          HD22      ASN  62 -13.183  16.197  -3.183
  526    H    THR  63           HN       THR  63 -12.001   9.866  -2.118
  527    HA   THR  63           HA       THR  63 -14.751   9.302  -1.462
  528    HB   THR  63           HB       THR  63 -13.834   7.128  -0.662
  529    HG1  THR  63           HG1      THR  63 -11.665   6.766  -0.711
  530   1HG2  THR  63          HG21      THR  63 -14.481   7.422  -3.015
  531   2HG2  THR  63          HG22      THR  63 -13.113   6.322  -2.857
  532   3HG2  THR  63          HG23      THR  63 -12.852   7.984  -3.388
  533    H    GLY  64           HN       GLY  64 -12.050  10.644   0.134
  534   1HA   GLY  64          HA2       GLY  64 -11.976  11.529   2.304
  535   2HA   GLY  64          HA1       GLY  64 -13.451  10.646   2.681
  536    H    VAL  65           HN       VAL  65 -11.483   8.542   1.140
  537    HA   VAL  65           HA       VAL  65 -10.364   7.522   3.669
  538    HB   VAL  65           HB       VAL  65 -11.229   6.012   1.185
  539   1HG1  VAL  65          HG11      VAL  65 -10.570   3.975   2.337
  540   2HG1  VAL  65          HG12      VAL  65  -9.964   4.921   3.696
  541   3HG1  VAL  65          HG13      VAL  65  -9.180   5.038   2.120
  542   1HG2  VAL  65          HG21      VAL  65 -12.246   5.949   4.020
  543   2HG2  VAL  65          HG22      VAL  65 -12.815   4.929   2.699
  544   3HG2  VAL  65          HG23      VAL  65 -13.066   6.675   2.638
  545    H    ASP  66           HN       ASP  66  -8.243   7.407   3.828
  546    HA   ASP  66           HA       ASP  66  -6.582   7.811   1.461
  547   1HB   ASP  66          HB2       ASP  66  -5.786   7.699   4.380
  548   2HB   ASP  66          HB1       ASP  66  -4.742   8.149   3.035
  549    H    ILE  67           HN       ILE  67  -5.341   6.238   0.620
  550    HA   ILE  67           HA       ILE  67  -5.689   3.565   1.750
  551    HB   ILE  67           HB       ILE  67  -4.492   4.392  -0.901
  552   1HG1  ILE  67          HG12      ILE  67  -6.870   4.880  -0.824
  553   2HG1  ILE  67          HG11      ILE  67  -6.592   3.481  -1.855
  554   1HG2  ILE  67          HG21      ILE  67  -3.572   2.279  -0.127
  555   2HG2  ILE  67          HG22      ILE  67  -4.656   2.018  -1.493
  556   3HG2  ILE  67          HG23      ILE  67  -5.199   1.653   0.145
  557   1HD1  ILE  67          HD11      ILE  67  -7.594   3.425   0.986
  558   2HD1  ILE  67          HD12      ILE  67  -7.293   2.010  -0.024
  559   3HD1  ILE  67          HD13      ILE  67  -8.552   3.162  -0.473
  560    H    ILE  68           HN       ILE  68  -4.243   2.984   3.206
  561    HA   ILE  68           HA       ILE  68  -1.521   4.084   2.993
  562    HB   ILE  68           HB       ILE  68  -1.345   3.570   5.444
  563   1HG1  ILE  68          HG12      ILE  68  -4.343   3.222   5.210
  564   2HG1  ILE  68          HG11      ILE  68  -3.192   1.937   5.560
  565   1HG2  ILE  68          HG21      ILE  68  -3.464   5.539   4.607
  566   2HG2  ILE  68          HG22      ILE  68  -1.723   5.822   4.642
  567   3HG2  ILE  68          HG23      ILE  68  -2.602   5.546   6.146
  568   1HD1  ILE  68          HD11      ILE  68  -2.592   3.034   7.646
  569   2HD1  ILE  68          HD12      ILE  68  -4.324   2.705   7.570
  570   3HD1  ILE  68          HD13      ILE  68  -3.722   4.340   7.292
  571    H    CYS  69           HN       CYS  69   0.232   2.768   3.068
  572    HA   CYS  69           HA       CYS  69  -0.253  -0.109   3.069
  573   1HB   CYS  69          HB2       CYS  69   1.251   0.788   1.339
  574   2HB   CYS  69          HB1       CYS  69   2.307   1.437   2.590
  575    HG   CYS  69           HG       CYS  69   1.668  -1.897   2.159
  576    H    THR  70           HN       THR  70   0.600  -1.486   4.620
  577    HA   THR  70           HA       THR  70   1.387  -0.092   7.093
  578    HB   THR  70           HB       THR  70  -0.844  -1.144   7.197
  579    HG1  THR  70           HG1      THR  70   0.973  -2.630   8.811
  580   1HG2  THR  70          HG21      THR  70  -1.047  -3.598   7.194
  581   2HG2  THR  70          HG22      THR  70   0.649  -3.726   6.723
  582   3HG2  THR  70          HG23      THR  70  -0.517  -2.975   5.632
  583    H    LYS  71           HN       LYS  71   2.765  -1.747   4.709
  584    HA   LYS  71           HA       LYS  71   4.329  -3.530   6.424
  585   1HB   LYS  71          HB2       LYS  71   3.410  -4.387   4.251
  586   2HB   LYS  71          HB1       LYS  71   4.469  -3.256   3.416
  587   1HG   LYS  71          HG2       LYS  71   6.419  -4.346   4.335
  588   2HG   LYS  71          HG1       LYS  71   5.400  -5.429   5.281
  589   1HD   LYS  71          HD2       LYS  71   4.434  -6.256   3.120
  590   2HD   LYS  71          HD1       LYS  71   5.667  -5.308   2.284
  591   1HE   LYS  71          HE2       LYS  71   6.389  -7.615   2.517
  592   2HE   LYS  71          HE1       LYS  71   7.416  -6.546   3.473
  593   1HZ   LYS  71          HZ1       LYS  71   6.038  -7.150   5.429
  594   2HZ   LYS  71          HZ2       LYS  71   6.905  -8.451   4.778
  595   3HZ   LYS  71          HZ3       LYS  71   5.242  -8.304   4.472
  596    H    ASN  72           HN       ASN  72   6.498  -3.305   6.730
  597    HA   ASN  72           HA       ASN  72   7.526  -0.626   6.173
  598   1HB   ASN  72          HB2       ASN  72   8.572  -2.806   7.997
  599   2HB   ASN  72          HB1       ASN  72   9.329  -1.234   7.789
  600   1HD2  ASN  72          HD21      ASN  72   5.884  -2.037   8.095
  601   2HD2  ASN  72          HD22      ASN  72   5.628  -1.123   9.542
  602    H    LEU  73           HN       LEU  73   8.693  -0.355   4.377
  603    HA   LEU  73           HA       LEU  73   9.873  -2.716   3.126
  604   1HB   LEU  73          HB2       LEU  73   9.559   0.121   2.178
  605   2HB   LEU  73          HB1       LEU  73  10.460  -1.084   1.281
  606    HG   LEU  73           HG       LEU  73   8.196  -2.434   1.470
  607   1HD1  LEU  73          HD11      LEU  73   7.051  -0.809   2.872
  608   2HD1  LEU  73          HD12      LEU  73   6.261  -0.960   1.301
  609   3HD1  LEU  73          HD13      LEU  73   7.289   0.431   1.641
  610   1HD2  LEU  73          HD21      LEU  73   8.654  -0.156  -0.446
  611   2HD2  LEU  73          HD22      LEU  73   7.553  -1.510  -0.700
  612   3HD2  LEU  73          HD23      LEU  73   9.291  -1.793  -0.598
  613    HA   PRO  74           HA       PRO  74  13.988  -1.483   4.393
  614   1HB   PRO  74          HB2       PRO  74  15.200  -3.785   3.709
  615   2HB   PRO  74          HB1       PRO  74  14.214  -3.646   5.167
  616   1HG   PRO  74          HG2       PRO  74  13.596  -4.964   2.585
  617   2HG   PRO  74          HG1       PRO  74  13.028  -5.356   4.216
  618   1HD   PRO  74          HD2       PRO  74  11.623  -3.918   2.227
  619   2HD   PRO  74          HD1       PRO  74  11.163  -4.114   3.928
  620    H    LYS  75           HN       LYS  75  14.539   0.072   2.917
  621    HA   LYS  75           HA       LYS  75  14.858  -0.688   0.118
  622   1HB   LYS  75          HB2       LYS  75  15.079   1.748  -0.289
  623   2HB   LYS  75          HB1       LYS  75  13.571   1.311   0.501
  624   1HG   LYS  75          HG2       LYS  75  14.507   2.016   2.656
  625   2HG   LYS  75          HG1       LYS  75  16.002   2.482   1.842
  626   1HD   LYS  75          HD2       LYS  75  13.274   3.637   1.269
  627   2HD   LYS  75          HD1       LYS  75  14.511   4.401   2.267
  628   1HE   LYS  75          HE2       LYS  75  14.754   3.726  -0.662
  629   2HE   LYS  75          HE1       LYS  75  14.498   5.333   0.014
  630   1HZ   LYS  75          HZ1       LYS  75  16.656   4.949   1.252
  631   2HZ   LYS  75          HZ2       LYS  75  16.774   5.197  -0.423
  632   3HZ   LYS  75          HZ3       LYS  75  16.912   3.632   0.213
  633    H    ASP  76           HN       ASP  76  16.761   0.465   2.827
  634    HA   ASP  76           HA       ASP  76  19.119   0.888   1.249
  635   1HB   ASP  76          HB2       ASP  76  18.689   2.115   3.381
  636   2HB   ASP  76          HB1       ASP  76  18.912   0.603   4.256
  637    H    SER  77           HN       SER  77  20.461  -0.619   0.542
  638    HA   SER  77           HA       SER  77  20.697  -3.113   2.047
  639   1HB   SER  77          HB2       SER  77  20.146  -2.986  -0.927
  640   2HB   SER  77          HB1       SER  77  20.501  -4.452  -0.011
  641    HG   SER  77           HG       SER  77  18.263  -2.729   0.293
  642    H    LEU  78           HN       LEU  78  22.734  -2.177   2.662
  643    HA   LEU  78           HA       LEU  78  24.770  -2.071   0.591
  644   1HB   LEU  78          HB2       LEU  78  24.898  -1.754   3.587
  645   2HB   LEU  78          HB1       LEU  78  26.324  -1.755   2.564
  646    HG   LEU  78           HG       LEU  78  24.057   0.232   2.397
  647   1HD1  LEU  78          HD11      LEU  78  26.870   0.528   3.441
  648   2HD1  LEU  78          HD12      LEU  78  25.400   0.510   4.416
  649   3HD1  LEU  78          HD13      LEU  78  25.687   1.825   3.276
  650   1HD2  LEU  78          HD21      LEU  78  25.505   1.421   0.833
  651   2HD2  LEU  78          HD22      LEU  78  25.116  -0.191   0.230
  652   3HD2  LEU  78          HD23      LEU  78  26.699   0.128   0.941
  653    H    GLU  79           HN       GLU  79  24.290  -4.256  -0.085
  654    HA   GLU  79           HA       GLU  79  25.004  -6.396   1.741
  655   1HB   GLU  79          HB2       GLU  79  24.032  -6.434  -1.116
  656   2HB   GLU  79          HB1       GLU  79  24.366  -7.871  -0.160
  657   1HG   GLU  79          HG2       GLU  79  22.642  -7.190   1.441
  658   2HG   GLU  79          HG1       GLU  79  22.288  -5.781   0.439
  659    H    HIS  80           HN       HIS  80  26.818  -7.557   1.691
  660    HA   HIS  80           HA       HIS  80  28.748  -6.966  -0.456
  661   1HB   HIS  80          HB2       HIS  80  29.288  -7.737   2.420
  662   2HB   HIS  80          HB1       HIS  80  30.524  -7.576   1.177
  663    HD1  HIS  80           HD1      HIS  80  28.389  -5.611   3.489
  664    HD2  HIS  80           HD2      HIS  80  31.068  -4.906   0.387
  665    HE1  HIS  80           HE1      HIS  80  28.938  -3.161   3.609
  666    HE2  HIS  80           HE2      HIS  80  30.712  -2.805   1.857
  667    H    HIS  81           HN       HIS  81  28.011  -8.593  -1.787
  668    HA   HIS  81           HA       HIS  81  27.897 -11.318  -0.799
  669   1HB   HIS  81          HB2       HIS  81  27.505 -10.130  -3.560
  670   2HB   HIS  81          HB1       HIS  81  27.411 -11.856  -3.226
  671    HD1  HIS  81           HD1      HIS  81  25.115 -12.677  -2.824
  672    HD2  HIS  81           HD2      HIS  81  25.507  -8.656  -1.837
  673    HE1  HIS  81           HE1      HIS  81  22.815 -11.916  -2.152
  674    HE2  HIS  81           HE2      HIS  81  23.118  -9.546  -1.356
  675    H    HIS  82           HN       HIS  82  29.634 -12.567  -0.663
  676    HA   HIS  82           HA       HIS  82  32.156 -11.533  -1.467
  677   1HB   HIS  82          HB2       HIS  82  33.079 -13.685  -0.568
  678   2HB   HIS  82          HB1       HIS  82  32.110 -12.764   0.570
  679    HD1  HIS  82           HD1      HIS  82  29.901 -13.821   1.382
  680    HD2  HIS  82           HD2      HIS  82  32.021 -16.174  -1.318
  681    HE1  HIS  82           HE1      HIS  82  28.856 -16.103   1.501
  682    HE2  HIS  82           HE2      HIS  82  30.293 -17.557   0.024
  683    H    HIS  83           HN       HIS  83  32.695 -11.444  -3.480
  684    HA   HIS  83           HA       HIS  83  33.226 -13.775  -5.008
  685   1HB   HIS  83          HB2       HIS  83  30.739 -13.524  -5.378
  686   2HB   HIS  83          HB1       HIS  83  31.064 -11.955  -6.108
  687    HD1  HIS  83           HD1      HIS  83  31.955 -11.935  -8.525
  688    HD2  HIS  83           HD2      HIS  83  31.553 -15.751  -6.909
  689    HE1  HIS  83           HE1      HIS  83  32.272 -13.525 -10.442
  690    HE2  HIS  83           HE2      HIS  83  32.235 -15.819  -9.401
  691    H    HIS  84           HN       HIS  84  35.032 -13.254  -6.134
  692    HA   HIS  84           HA       HIS  84  35.705 -10.453  -6.373
  693   1HB   HIS  84          HB2       HIS  84  37.852 -11.211  -7.330
  694   2HB   HIS  84          HB1       HIS  84  37.516 -11.935  -5.770
  695    HD1  HIS  84           HD1      HIS  84  37.265 -14.487  -5.674
  696    HD2  HIS  84           HD2      HIS  84  37.911 -13.004  -9.511
  697    HE1  HIS  84           HE1      HIS  84  37.863 -16.480  -7.083
  698    HE2  HIS  84           HE2      HIS  84  38.020 -15.588  -9.429
  699    H    HIS  85           HN       HIS  85  34.750  -9.327  -7.835
  700    HA   HIS  85           HA       HIS  85  33.872  -8.584  -9.780
  701   1HB   HIS  85          HB2       HIS  85  36.260  -9.134 -10.502
  702   2HB   HIS  85          HB1       HIS  85  35.608 -10.620 -11.182
  703    HD1  HIS  85           HD1      HIS  85  35.508  -6.886 -11.622
  704    HD2  HIS  85           HD2      HIS  85  34.326 -10.335 -13.625
  705    HE1  HIS  85           HE1      HIS  85  34.823  -6.135 -13.925
  706    HE2  HIS  85           HE2      HIS  85  34.336  -8.264 -15.179
  Start of MODEL    6
    1   1H    MET   1          HT1       MET   1 -25.395   1.538   6.719
    2   2H    MET   1          HT2       MET   1 -26.163   1.575   5.211
    3   3H    MET   1          HT3       MET   1 -24.528   2.005   5.338
    4    HA   MET   1           HA       MET   1 -25.651  -0.678   5.876
    5   1HB   MET   1          HB2       MET   1 -24.024   0.378   3.555
    6   2HB   MET   1          HB1       MET   1 -24.312  -1.330   3.857
    7   1HG   MET   1          HG2       MET   1 -26.739  -0.919   3.652
    8   2HG   MET   1          HG1       MET   1 -26.390   0.760   3.248
    9   1HE   MET   1          HE1       MET   1 -26.045  -2.982   2.143
   10   2HE   MET   1          HE2       MET   1 -24.364  -2.447   2.166
   11   3HE   MET   1          HE3       MET   1 -25.144  -2.834   0.633
   12    H    HIS   2           HN       HIS   2 -23.658  -2.263   5.639
   13    HA   HIS   2           HA       HIS   2 -21.896  -1.472   7.790
   14   1HB   HIS   2          HB2       HIS   2 -22.051  -4.070   6.238
   15   2HB   HIS   2          HB1       HIS   2 -21.056  -3.800   7.663
   16    HD1  HIS   2           HD1      HIS   2 -22.570  -3.073   9.877
   17    HD2  HIS   2           HD2      HIS   2 -24.459  -5.136   6.797
   18    HE1  HIS   2           HE1      HIS   2 -24.643  -4.075  10.899
   19    HE2  HIS   2           HE2      HIS   2 -25.777  -5.321   9.019
   20    H    LYS   3           HN       LYS   3 -20.181  -0.268   7.317
   21    HA   LYS   3           HA       LYS   3 -18.775  -0.609   4.802
   22   1HB   LYS   3          HB2       LYS   3 -18.467   1.301   7.109
   23   2HB   LYS   3          HB1       LYS   3 -17.250   1.177   5.851
   24   1HG   LYS   3          HG2       LYS   3 -18.987   1.744   4.178
   25   2HG   LYS   3          HG1       LYS   3 -20.119   2.011   5.508
   26   1HD   LYS   3          HD2       LYS   3 -18.944   3.865   6.298
   27   2HD   LYS   3          HD1       LYS   3 -17.464   3.403   5.459
   28   1HE   LYS   3          HE2       LYS   3 -18.363   5.284   4.319
   29   2HE   LYS   3          HE1       LYS   3 -18.641   3.874   3.302
   30   1HZ   LYS   3          HZ1       LYS   3 -20.925   3.844   3.914
   31   2HZ   LYS   3          HZ2       LYS   3 -20.550   5.439   3.480
   32   3HZ   LYS   3          HZ3       LYS   3 -20.695   5.018   5.118
   33    H    ASP   4           HN       ASP   4 -16.908  -1.670   4.534
   34    HA   ASP   4           HA       ASP   4 -15.753  -3.008   6.892
   35   1HB   ASP   4          HB2       ASP   4 -15.030  -4.779   5.406
   36   2HB   ASP   4          HB1       ASP   4 -16.748  -4.497   5.156
   37    H    ILE   5           HN       ILE   5 -13.339  -3.719   6.211
   38    HA   ILE   5           HA       ILE   5 -11.995  -1.210   5.545
   39    HB   ILE   5           HB       ILE   5 -11.030  -3.617   7.087
   40   1HG1  ILE   5          HG12      ILE   5 -12.424  -2.026   8.331
   41   2HG1  ILE   5          HG11      ILE   5 -10.760  -2.000   8.910
   42   1HG2  ILE   5          HG21      ILE   5  -9.425  -1.198   6.260
   43   2HG2  ILE   5          HG22      ILE   5  -9.219  -2.838   5.647
   44   3HG2  ILE   5          HG23      ILE   5  -8.881  -2.484   7.340
   45   1HD1  ILE   5          HD11      ILE   5 -10.351   0.032   7.596
   46   2HD1  ILE   5          HD12      ILE   5 -11.646   0.241   8.779
   47   3HD1  ILE   5          HD13      ILE   5 -12.037   0.015   7.073
   48    H    PHE   6           HN       PHE   6 -11.288  -1.045   3.555
   49    HA   PHE   6           HA       PHE   6 -10.965  -3.354   1.874
   50   1HB   PHE   6          HB2       PHE   6 -11.874  -1.304   0.918
   51   2HB   PHE   6          HB1       PHE   6 -10.420  -0.418   1.364
   52    HD1  PHE   6           HD1      PHE   6 -11.724  -3.103  -0.814
   53    HD2  PHE   6           HD2      PHE   6  -8.538  -0.392  -0.038
   54    HE1  PHE   6           HE1      PHE   6 -10.726  -3.661  -2.988
   55    HE2  PHE   6           HE2      PHE   6  -7.537  -0.945  -2.214
   56    HZ   PHE   6           HZ       PHE   6  -8.629  -2.583  -3.692
   57    H    THR   7           HN       THR   7  -9.188  -4.512   1.693
   58    HA   THR   7           HA       THR   7  -6.590  -3.211   1.948
   59    HB   THR   7           HB       THR   7  -6.944  -4.113   4.165
   60    HG1  THR   7           HG1      THR   7  -4.857  -4.418   3.020
   61   1HG2  THR   7          HG21      THR   7  -7.331  -6.491   4.570
   62   2HG2  THR   7          HG22      THR   7  -7.430  -6.779   2.833
   63   3HG2  THR   7          HG23      THR   7  -8.649  -5.788   3.634
   64    H    SER   8           HN       SER   8  -5.071  -4.020   0.564
   65    HA   SER   8           HA       SER   8  -5.476  -6.541  -0.806
   66   1HB   SER   8          HB2       SER   8  -5.477  -3.925  -2.347
   67   2HB   SER   8          HB1       SER   8  -5.479  -5.538  -3.058
   68    HG   SER   8           HG       SER   8  -7.480  -5.468  -1.353
   69    H    VAL   9           HN       VAL   9  -3.639  -6.662  -2.615
   70    HA   VAL   9           HA       VAL   9  -1.217  -5.511  -1.403
   71    HB   VAL   9           HB       VAL   9  -1.258  -7.957  -1.338
   72   1HG1  VAL   9          HG11      VAL   9  -2.654  -8.417  -3.262
   73   2HG1  VAL   9          HG12      VAL   9  -1.123  -9.281  -3.394
   74   3HG1  VAL   9          HG13      VAL   9  -1.396  -7.819  -4.343
   75   1HG2  VAL   9          HG21      VAL   9   0.889  -6.823  -1.537
   76   2HG2  VAL   9          HG22      VAL   9   0.769  -6.888  -3.296
   77   3HG2  VAL   9          HG23      VAL   9   0.912  -8.378  -2.365
   78    H    VAL  10           HN       VAL  10   0.021  -4.168  -2.585
   79    HA   VAL  10           HA       VAL  10  -0.700  -3.837  -5.427
   80    HB   VAL  10           HB       VAL  10  -1.417  -1.947  -3.925
   81   1HG1  VAL  10          HG11      VAL  10   1.550  -1.508  -3.653
   82   2HG1  VAL  10          HG12      VAL  10   0.424  -1.939  -2.364
   83   3HG1  VAL  10          HG13      VAL  10   0.299  -0.369  -3.159
   84   1HG2  VAL  10          HG21      VAL  10   0.586  -1.292  -6.080
   85   2HG2  VAL  10          HG22      VAL  10  -0.586  -0.160  -5.403
   86   3HG2  VAL  10          HG23      VAL  10  -1.141  -1.575  -6.299
   87    H    ARG  11           HN       ARG  11   1.046  -3.035  -6.805
   88    HA   ARG  11           HA       ARG  11   3.499  -4.437  -6.214
   89   1HB   ARG  11          HB2       ARG  11   2.747  -2.777  -8.632
   90   2HB   ARG  11          HB1       ARG  11   4.128  -3.858  -8.506
   91   1HG   ARG  11          HG2       ARG  11   2.658  -5.772  -8.312
   92   2HG   ARG  11          HG1       ARG  11   1.246  -4.714  -8.335
   93   1HD   ARG  11          HD2       ARG  11   1.940  -3.936 -10.593
   94   2HD   ARG  11          HD1       ARG  11   3.232  -5.135 -10.565
   95    HE   ARG  11           HE       ARG  11   1.374  -6.822 -10.322
   96   1HH1  ARG  11          HH11      ARG  11   0.931  -3.753 -11.955
   97   2HH1  ARG  11          HH12      ARG  11  -0.403  -4.309 -12.913
   98   1HH2  ARG  11          HH21      ARG  11  -0.367  -7.564 -11.636
   99   2HH2  ARG  11          HH22      ARG  11  -1.122  -6.461 -12.750
  100    H    VAL  12           HN       VAL  12   5.336  -3.559  -5.488
  101    HA   VAL  12           HA       VAL  12   5.313  -0.746  -4.772
  102    HB   VAL  12           HB       VAL  12   7.618  -2.630  -4.305
  103   1HG1  VAL  12          HG11      VAL  12   6.577  -0.255  -2.777
  104   2HG1  VAL  12          HG12      VAL  12   7.993  -0.277  -3.829
  105   3HG1  VAL  12          HG13      VAL  12   7.985  -1.221  -2.339
  106   1HG2  VAL  12          HG21      VAL  12   6.618  -3.224  -2.135
  107   2HG2  VAL  12          HG22      VAL  12   5.660  -3.810  -3.497
  108   3HG2  VAL  12          HG23      VAL  12   5.143  -2.381  -2.602
  109    H    ARG  13           HN       ARG  13   6.391   0.821  -5.812
  110    HA   ARG  13           HA       ARG  13   8.084   0.026  -8.085
  111   1HB   ARG  13          HB2       ARG  13   6.094   1.321  -8.686
  112   2HB   ARG  13          HB1       ARG  13   6.561   2.590  -7.566
  113   1HG   ARG  13          HG2       ARG  13   8.437   3.187  -8.904
  114   2HG   ARG  13          HG1       ARG  13   8.212   1.781  -9.945
  115   1HD   ARG  13          HD2       ARG  13   7.401   3.806 -11.015
  116   2HD   ARG  13          HD1       ARG  13   6.081   2.681 -10.711
  117    HE   ARG  13           HE       ARG  13   5.204   4.147  -9.125
  118   1HH1  ARG  13          HH11      ARG  13   8.259   5.329 -10.381
  119   2HH1  ARG  13          HH12      ARG  13   8.026   6.947  -9.798
  120   1HH2  ARG  13          HH21      ARG  13   4.885   6.295  -8.361
  121   2HH2  ARG  13          HH22      ARG  13   6.099   7.503  -8.676
  122    H    GLY  14           HN       GLY  14  10.065   1.219  -8.483
  123   1HA   GLY  14          HA2       GLY  14  11.560   3.019  -7.854
  124   2HA   GLY  14          HA1       GLY  14  10.974   2.860  -6.206
  125    H    SER  15           HN       SER  15  13.570   2.936  -6.359
  126    HA   SER  15           HA       SER  15  14.752   0.350  -6.790
  127   1HB   SER  15          HB2       SER  15  16.827   1.485  -5.894
  128   2HB   SER  15          HB1       SER  15  16.119   2.233  -7.325
  129    HG   SER  15           HG       SER  15  15.182   3.803  -5.988
  130    H    LYS  16           HN       LYS  16  14.226  -1.188  -5.432
  131    HA   LYS  16           HA       LYS  16  15.097  -1.079  -2.718
  132   1HB   LYS  16          HB2       LYS  16  12.727  -1.891  -1.932
  133   2HB   LYS  16          HB1       LYS  16  13.093  -0.178  -2.014
  134   1HG   LYS  16          HG2       LYS  16  10.851  -0.793  -2.877
  135   2HG   LYS  16          HG1       LYS  16  11.856   0.063  -4.043
  136   1HD   LYS  16          HD2       LYS  16  12.310  -1.947  -5.241
  137   2HD   LYS  16          HD1       LYS  16  11.583  -2.937  -3.970
  138   1HE   LYS  16          HE2       LYS  16   9.423  -2.221  -4.491
  139   2HE   LYS  16          HE1       LYS  16  10.006  -0.850  -5.435
  140   1HZ   LYS  16          HZ1       LYS  16  10.387  -3.692  -6.212
  141   2HZ   LYS  16          HZ2       LYS  16  10.732  -2.320  -7.151
  142   3HZ   LYS  16          HZ3       LYS  16   9.126  -2.707  -6.778
  143    H    LYS  17           HN       LYS  17  14.067  -3.269  -1.641
  144    HA   LYS  17           HA       LYS  17  14.430  -5.366  -3.669
  145   1HB   LYS  17          HB2       LYS  17  15.520  -5.124  -0.885
  146   2HB   LYS  17          HB1       LYS  17  15.274  -6.716  -1.601
  147   1HG   LYS  17          HG2       LYS  17  16.750  -6.214  -3.410
  148   2HG   LYS  17          HG1       LYS  17  16.869  -4.528  -2.914
  149   1HD   LYS  17          HD2       LYS  17  17.750  -6.778  -1.132
  150   2HD   LYS  17          HD1       LYS  17  18.816  -6.082  -2.352
  151   1HE   LYS  17          HE2       LYS  17  18.285  -3.826  -1.282
  152   2HE   LYS  17          HE1       LYS  17  17.608  -4.755   0.056
  153   1HZ   LYS  17          HZ1       LYS  17  20.401  -4.932  -0.942
  154   2HZ   LYS  17          HZ2       LYS  17  19.753  -5.841   0.337
  155   3HZ   LYS  17          HZ3       LYS  17  19.903  -4.158   0.482
  156    H    TYR  18           HN       TYR  18  11.962  -4.249  -3.063
  157    HA   TYR  18           HA       TYR  18  10.589  -6.639  -2.064
  158   1HB   TYR  18          HB2       TYR  18  10.218  -3.830  -1.225
  159   2HB   TYR  18          HB1       TYR  18   8.734  -4.710  -1.577
  160    HD1  TYR  18           HD1      TYR  18  11.706  -4.594   0.606
  161    HD2  TYR  18           HD2      TYR  18   7.958  -6.454  -0.145
  162    HE1  TYR  18           HE1      TYR  18  11.782  -5.638   2.832
  163    HE2  TYR  18           HE2      TYR  18   8.023  -7.502   2.076
  164    HH   TYR  18           HH       TYR  18  10.296  -6.584   4.475
  165    H    ASN  19           HN       ASN  19   8.492  -7.031  -3.104
  166    HA   ASN  19           HA       ASN  19   8.472  -5.801  -5.778
  167   1HB   ASN  19          HB2       ASN  19   7.802  -8.622  -4.964
  168   2HB   ASN  19          HB1       ASN  19   7.427  -7.963  -6.553
  169   1HD2  ASN  19          HD21      ASN  19   9.187 -10.168  -5.805
  170   2HD2  ASN  19          HD22      ASN  19  10.745  -9.769  -6.442
  171    H    VAL  20           HN       VAL  20   6.418  -7.215  -3.298
  172    HA   VAL  20           HA       VAL  20   4.263  -5.422  -4.175
  173    HB   VAL  20           HB       VAL  20   2.587  -7.214  -3.692
  174   1HG1  VAL  20          HG11      VAL  20   2.894  -8.405  -5.821
  175   2HG1  VAL  20          HG12      VAL  20   4.536  -7.769  -5.926
  176   3HG1  VAL  20          HG13      VAL  20   3.157  -6.670  -5.983
  177   1HG2  VAL  20          HG21      VAL  20   3.314  -9.547  -3.699
  178   2HG2  VAL  20          HG22      VAL  20   3.986  -8.670  -2.323
  179   3HG2  VAL  20          HG23      VAL  20   4.999  -9.025  -3.722
  180    H    VAL  21           HN       VAL  21   2.982  -4.582  -2.567
  181    HA   VAL  21           HA       VAL  21   3.686  -5.347   0.188
  182    HB   VAL  21           HB       VAL  21   4.882  -3.289  -0.442
  183   1HG1  VAL  21          HG11      VAL  21   2.136  -2.096  -0.814
  184   2HG1  VAL  21          HG12      VAL  21   3.320  -2.403  -2.085
  185   3HG1  VAL  21          HG13      VAL  21   3.662  -1.210  -0.832
  186   1HG2  VAL  21          HG21      VAL  21   2.690  -2.876   1.575
  187   2HG2  VAL  21          HG22      VAL  21   4.170  -1.922   1.456
  188   3HG2  VAL  21          HG23      VAL  21   4.254  -3.635   1.866
  189    HA   PRO  22           HA       PRO  22  -0.761  -5.365   0.705
  190   1HB   PRO  22          HB2       PRO  22  -0.820  -5.746   3.375
  191   2HB   PRO  22          HB1       PRO  22  -0.413  -7.039   2.241
  192   1HG   PRO  22          HG2       PRO  22   1.399  -5.341   3.907
  193   2HG   PRO  22          HG1       PRO  22   1.485  -7.079   3.575
  194   1HD   PRO  22          HD2       PRO  22   3.012  -5.218   2.286
  195   2HD   PRO  22          HD1       PRO  22   2.533  -6.766   1.558
  196    H    VAL  23           HN       VAL  23  -1.993  -3.630   0.703
  197    HA   VAL  23           HA       VAL  23  -1.401  -1.409   2.541
  198    HB   VAL  23           HB       VAL  23  -2.531   0.084   0.962
  199   1HG1  VAL  23          HG11      VAL  23  -0.883   0.002  -0.865
  200   2HG1  VAL  23          HG12      VAL  23  -0.388  -1.602  -0.325
  201   3HG1  VAL  23          HG13      VAL  23  -0.137  -0.202   0.720
  202   1HG2  VAL  23          HG21      VAL  23  -2.791  -2.347  -0.808
  203   2HG2  VAL  23          HG22      VAL  23  -3.200  -0.691  -1.261
  204   3HG2  VAL  23          HG23      VAL  23  -4.116  -1.512   0.004
  205    H    LYS  24           HN       LYS  24  -3.377  -0.151   3.165
  206    HA   LYS  24           HA       LYS  24  -5.817  -1.748   3.273
  207   1HB   LYS  24          HB2       LYS  24  -5.996  -1.623   5.683
  208   2HB   LYS  24          HB1       LYS  24  -4.487  -2.417   5.258
  209   1HG   LYS  24          HG2       LYS  24  -3.290  -0.298   5.652
  210   2HG   LYS  24          HG1       LYS  24  -4.813   0.440   6.152
  211   1HD   LYS  24          HD2       LYS  24  -3.463  -1.920   7.467
  212   2HD   LYS  24          HD1       LYS  24  -3.491  -0.270   8.084
  213   1HE   LYS  24          HE2       LYS  24  -5.904  -2.031   7.660
  214   2HE   LYS  24          HE1       LYS  24  -5.131  -1.699   9.209
  215   1HZ   LYS  24          HZ1       LYS  24  -6.467   0.297   7.460
  216   2HZ   LYS  24          HZ2       LYS  24  -5.669   0.654   8.907
  217   3HZ   LYS  24          HZ3       LYS  24  -7.059  -0.312   8.924
  218    H    SER  25           HN       SER  25  -7.489  -0.404   4.655
  219    HA   SER  25           HA       SER  25  -7.271   2.399   3.782
  220   1HB   SER  25          HB2       SER  25  -9.753   0.849   4.551
  221   2HB   SER  25          HB1       SER  25  -9.692   2.452   3.819
  222    HG   SER  25           HG       SER  25  -8.624   0.131   2.583
  223    H    ASN  26           HN       ASN  26  -7.313   3.992   5.259
  224    HA   ASN  26           HA       ASN  26  -6.936   3.351   8.011
  225   1HB   ASN  26          HB2       ASN  26  -6.830   5.790   8.357
  226   2HB   ASN  26          HB1       ASN  26  -5.815   5.283   7.013
  227   1HD2  ASN  26          HD21      ASN  26  -6.903   7.898   7.585
  228   2HD2  ASN  26          HD22      ASN  26  -7.820   8.346   6.190
  229    H    LYS  27           HN       LYS  27  -9.585   4.605   6.101
  230    HA   LYS  27           HA       LYS  27 -11.337   4.280   8.438
  231   1HB   LYS  27          HB2       LYS  27 -11.581   6.206   6.117
  232   2HB   LYS  27          HB1       LYS  27 -12.828   5.959   7.332
  233   1HG   LYS  27          HG2       LYS  27 -11.310   6.731   9.071
  234   2HG   LYS  27          HG1       LYS  27 -10.035   6.946   7.872
  235   1HD   LYS  27          HD2       LYS  27 -12.688   8.380   7.821
  236   2HD   LYS  27          HD1       LYS  27 -11.207   9.055   8.499
  237   1HE   LYS  27          HE2       LYS  27 -10.127   8.784   6.281
  238   2HE   LYS  27          HE1       LYS  27 -11.673   8.232   5.635
  239   1HZ   LYS  27          HZ1       LYS  27 -11.126  10.905   6.814
  240   2HZ   LYS  27          HZ2       LYS  27 -12.638  10.375   6.258
  241   3HZ   LYS  27          HZ3       LYS  27 -11.354  10.562   5.171
  242    HA   PRO  28           HA       PRO  28 -13.332   1.077   6.270
  243   1HB   PRO  28          HB2       PRO  28 -15.909   1.328   7.092
  244   2HB   PRO  28          HB1       PRO  28 -14.617   0.733   8.132
  245   1HG   PRO  28          HG2       PRO  28 -15.815   3.472   7.980
  246   2HG   PRO  28          HG1       PRO  28 -15.389   2.512   9.410
  247   1HD   PRO  28          HD2       PRO  28 -13.805   4.489   8.486
  248   2HD   PRO  28          HD1       PRO  28 -13.148   3.027   9.250
  249    H    VAL  29           HN       VAL  29 -14.216   0.647   4.378
  250    HA   VAL  29           HA       VAL  29 -15.496   2.838   2.877
  251    HB   VAL  29           HB       VAL  29 -14.419   0.583   1.336
  252   1HG1  VAL  29          HG11      VAL  29 -13.595   2.373  -0.099
  253   2HG1  VAL  29          HG12      VAL  29 -14.059   3.564   1.114
  254   3HG1  VAL  29          HG13      VAL  29 -15.296   2.603   0.306
  255   1HG2  VAL  29          HG21      VAL  29 -12.068   1.278   1.509
  256   2HG2  VAL  29          HG22      VAL  29 -12.688   0.625   3.027
  257   3HG2  VAL  29          HG23      VAL  29 -12.501   2.371   2.825
  258    H    GLU  30           HN       GLU  30 -16.888   1.859   1.012
  259    HA   GLU  30           HA       GLU  30 -18.513  -0.284   2.163
  260   1HB   GLU  30          HB2       GLU  30 -19.138   1.561  -0.149
  261   2HB   GLU  30          HB1       GLU  30 -20.235   0.374   0.549
  262   1HG   GLU  30          HG2       GLU  30 -20.045   1.582   2.714
  263   2HG   GLU  30          HG1       GLU  30 -19.128   2.830   1.877
  264    H    ILE  31           HN       ILE  31 -18.721  -2.219   1.248
  265    HA   ILE  31           HA       ILE  31 -16.753  -3.252  -0.395
  266    HB   ILE  31           HB       ILE  31 -18.132  -4.622   1.085
  267   1HG1  ILE  31          HG12      ILE  31 -18.375  -5.506  -1.802
  268   2HG1  ILE  31          HG11      ILE  31 -16.939  -5.697  -0.802
  269   1HG2  ILE  31          HG21      ILE  31 -20.275  -3.566   0.787
  270   2HG2  ILE  31          HG22      ILE  31 -20.414  -5.287   0.415
  271   3HG2  ILE  31          HG23      ILE  31 -20.346  -4.104  -0.894
  272   1HD1  ILE  31          HD11      ILE  31 -18.187  -7.167   0.696
  273   2HD1  ILE  31          HD12      ILE  31 -18.187  -7.771  -0.959
  274   3HD1  ILE  31          HD13      ILE  31 -19.620  -6.974  -0.312
  275    H    SER  32           HN       SER  32 -19.614  -1.550  -1.279
  276    HA   SER  32           HA       SER  32 -20.111  -2.479  -3.847
  277   1HB   SER  32          HB2       SER  32 -20.314   0.391  -2.914
  278   2HB   SER  32          HB1       SER  32 -21.237  -0.373  -4.210
  279    HG   SER  32           HG       SER  32 -22.455  -1.422  -2.773
  280    H    LYS  33           HN       LYS  33 -17.559  -0.362  -2.681
  281    HA   LYS  33           HA       LYS  33 -16.753   0.189  -5.450
  282   1HB   LYS  33          HB2       LYS  33 -16.025   1.538  -2.856
  283   2HB   LYS  33          HB1       LYS  33 -15.223   1.893  -4.379
  284   1HG   LYS  33          HG2       LYS  33 -17.464   2.493  -5.320
  285   2HG   LYS  33          HG1       LYS  33 -18.118   2.332  -3.689
  286   1HD   LYS  33          HD2       LYS  33 -17.612   4.664  -4.180
  287   2HD   LYS  33          HD1       LYS  33 -16.559   4.059  -2.902
  288   1HE   LYS  33          HE2       LYS  33 -15.275   5.390  -4.463
  289   2HE   LYS  33          HE1       LYS  33 -14.781   3.701  -4.567
  290   1HZ   LYS  33          HZ1       LYS  33 -16.469   5.217  -6.476
  291   2HZ   LYS  33          HZ2       LYS  33 -16.341   3.529  -6.512
  292   3HZ   LYS  33          HZ3       LYS  33 -14.963   4.479  -6.766
  293    H    TRP  34           HN       TRP  34 -16.216  -2.265  -3.585
  294    HA   TRP  34           HA       TRP  34 -13.446  -2.435  -3.164
  295   1HB   TRP  34          HB2       TRP  34 -15.704  -4.275  -3.203
  296   2HB   TRP  34          HB1       TRP  34 -14.234  -5.024  -3.815
  297    HD1  TRP  34           HD1      TRP  34 -15.477  -3.160  -0.655
  298    HE1  TRP  34           HE1      TRP  34 -14.140  -4.037   1.369
  299    HE3  TRP  34           HE3      TRP  34 -12.215  -6.231  -3.124
  300    HZ2  TRP  34           HZ2      TRP  34 -11.979  -5.785   1.835
  301    HZ3  TRP  34           HZ3      TRP  34 -10.537  -7.466  -1.812
  302    HH2  TRP  34           HH2      TRP  34 -10.422  -7.247   0.618
  303    H    ILE  35           HN       ILE  35 -15.405  -3.304  -5.983
  304    HA   ILE  35           HA       ILE  35 -13.260  -4.341  -7.510
  305    HB   ILE  35           HB       ILE  35 -15.556  -4.949  -8.017
  306   1HG1  ILE  35          HG12      ILE  35 -14.335  -3.381 -10.302
  307   2HG1  ILE  35          HG11      ILE  35 -13.880  -5.015  -9.837
  308   1HG2  ILE  35          HG21      ILE  35 -15.948  -2.073  -8.822
  309   2HG2  ILE  35          HG22      ILE  35 -16.658  -2.873  -7.421
  310   3HG2  ILE  35          HG23      ILE  35 -17.118  -3.374  -9.049
  311   1HD1  ILE  35          HD11      ILE  35 -16.143  -5.779 -10.369
  312   2HD1  ILE  35          HD12      ILE  35 -15.338  -5.045 -11.756
  313   3HD1  ILE  35          HD13      ILE  35 -16.564  -4.142 -10.869
  314    H    ASP  36           HN       ASP  36 -14.636  -1.151  -7.135
  315    HA   ASP  36           HA       ASP  36 -13.342   0.088  -9.336
  316   1HB   ASP  36          HB2       ASP  36 -15.317   1.068  -8.269
  317   2HB   ASP  36          HB1       ASP  36 -14.425   1.278  -6.767
  318    H    PHE  37           HN       PHE  37 -12.537  -0.176  -5.887
  319    HA   PHE  37           HA       PHE  37 -10.136   1.326  -6.084
  320   1HB   PHE  37          HB2       PHE  37 -11.223  -0.568  -4.020
  321   2HB   PHE  37          HB1       PHE  37  -9.609   0.119  -3.871
  322    HD1  PHE  37           HD1      PHE  37 -11.657   2.444  -5.515
  323    HD2  PHE  37           HD2      PHE  37 -10.825   0.834  -1.665
  324    HE1  PHE  37           HE1      PHE  37 -12.592   4.464  -4.477
  325    HE2  PHE  37           HE2      PHE  37 -11.756   2.854  -0.617
  326    HZ   PHE  37           HZ       PHE  37 -12.644   4.671  -2.021
  327    H    SER  38           HN       SER  38 -10.848  -2.144  -6.213
  328    HA   SER  38           HA       SER  38  -8.199  -3.059  -6.426
  329   1HB   SER  38          HB2       SER  38 -10.178  -4.526  -6.039
  330   2HB   SER  38          HB1       SER  38 -10.675  -4.255  -7.708
  331    HG   SER  38           HG       SER  38  -8.710  -5.889  -6.689
  332    H    ASN  39           HN       ASN  39 -10.465  -1.807  -8.785
  333    HA   ASN  39           HA       ASN  39  -9.079  -2.291 -11.162
  334   1HB   ASN  39          HB2       ASN  39 -11.433  -1.370 -10.839
  335   2HB   ASN  39          HB1       ASN  39 -10.690   0.191 -10.521
  336   1HD2  ASN  39          HD21      ASN  39 -12.541  -0.475 -12.571
  337   2HD2  ASN  39          HD22      ASN  39 -11.766  -0.165 -14.080
  338    H    VAL  40           HN       VAL  40  -8.892   0.399  -8.878
  339    HA   VAL  40           HA       VAL  40  -7.004   1.910 -10.358
  340    HB   VAL  40           HB       VAL  40  -7.571   2.042  -7.391
  341   1HG1  VAL  40          HG11      VAL  40  -5.532   3.208  -7.997
  342   2HG1  VAL  40          HG12      VAL  40  -6.800   4.364  -7.586
  343   3HG1  VAL  40          HG13      VAL  40  -6.384   4.074  -9.275
  344   1HG2  VAL  40          HG21      VAL  40  -9.626   2.288  -8.661
  345   2HG2  VAL  40          HG22      VAL  40  -8.874   3.520  -9.675
  346   3HG2  VAL  40          HG23      VAL  40  -9.148   3.834  -7.960
  347    H    LEU  41           HN       LEU  41  -6.667  -0.291  -7.574
  348    HA   LEU  41           HA       LEU  41  -3.914   0.227  -7.193
  349   1HB   LEU  41          HB2       LEU  41  -5.621  -2.089  -6.310
  350   2HB   LEU  41          HB1       LEU  41  -3.957  -1.859  -5.812
  351    HG   LEU  41           HG       LEU  41  -6.280  -0.033  -5.194
  352   1HD1  LEU  41          HD11      LEU  41  -4.577  -1.820  -3.465
  353   2HD1  LEU  41          HD12      LEU  41  -6.279  -2.056  -3.870
  354   3HD1  LEU  41          HD13      LEU  41  -5.791  -0.686  -2.873
  355   1HD2  LEU  41          HD21      LEU  41  -4.684   1.252  -3.861
  356   2HD2  LEU  41          HD22      LEU  41  -4.242   1.262  -5.568
  357   3HD2  LEU  41          HD23      LEU  41  -3.370   0.227  -4.438
  358    H    SER  42           HN       SER  42  -5.581  -2.114  -9.224
  359    HA   SER  42           HA       SER  42  -3.306  -3.798  -9.574
  360   1HB   SER  42          HB2       SER  42  -4.675  -4.712 -11.525
  361   2HB   SER  42          HB1       SER  42  -5.400  -4.833  -9.921
  362    HG   SER  42           HG       SER  42  -6.719  -3.101 -10.397
  363    H    ARG  43           HN       ARG  43  -4.085  -0.761 -10.821
  364    HA   ARG  43           HA       ARG  43  -2.049  -1.099 -12.921
  365   1HB   ARG  43          HB2       ARG  43  -3.091   0.839 -14.067
  366   2HB   ARG  43          HB1       ARG  43  -4.161  -0.552 -13.951
  367   1HG   ARG  43          HG2       ARG  43  -5.394   0.466 -12.171
  368   2HG   ARG  43          HG1       ARG  43  -4.244   1.799 -12.077
  369   1HD   ARG  43          HD2       ARG  43  -6.346   2.372 -13.267
  370   2HD   ARG  43          HD1       ARG  43  -4.895   2.593 -14.244
  371    HE   ARG  43           HE       ARG  43  -5.557   0.205 -15.065
  372   1HH1  ARG  43          HH11      ARG  43  -7.728   2.854 -14.330
  373   2HH1  ARG  43          HH12      ARG  43  -8.909   2.388 -15.513
  374   1HH2  ARG  43          HH21      ARG  43  -7.106  -0.430 -16.596
  375   2HH2  ARG  43          HH22      ARG  43  -8.569   0.488 -16.792
  376    H    LEU  44           HN       LEU  44  -2.150  -0.217  -9.922
  377    HA   LEU  44           HA       LEU  44  -0.968   2.455 -10.239
  378   1HB   LEU  44          HB2       LEU  44  -2.960   2.181  -8.749
  379   2HB   LEU  44          HB1       LEU  44  -1.988   1.147  -7.720
  380    HG   LEU  44           HG       LEU  44  -0.457   3.040  -7.293
  381   1HD1  LEU  44          HD11      LEU  44  -2.473   4.638  -8.867
  382   2HD1  LEU  44          HD12      LEU  44  -0.821   4.272  -9.363
  383   3HD1  LEU  44          HD13      LEU  44  -1.114   5.295  -7.955
  384   1HD2  LEU  44          HD21      LEU  44  -2.279   2.580  -5.747
  385   2HD2  LEU  44          HD22      LEU  44  -3.362   3.598  -6.696
  386   3HD2  LEU  44          HD23      LEU  44  -1.982   4.313  -5.864
  387    H    TYR  45           HN       TYR  45   1.123   2.728  -9.941
  388    HA   TYR  45           HA       TYR  45   2.622   0.687  -8.439
  389   1HB   TYR  45          HB2       TYR  45   3.432   2.275 -10.874
  390   2HB   TYR  45          HB1       TYR  45   4.602   1.452  -9.851
  391    HD1  TYR  45           HD1      TYR  45   1.554   0.832 -11.900
  392    HD2  TYR  45           HD2      TYR  45   5.122  -0.776 -10.234
  393    HE1  TYR  45           HE1      TYR  45   1.208  -1.239 -13.172
  394    HE2  TYR  45           HE2      TYR  45   4.779  -2.854 -11.500
  395    HH   TYR  45           HH       TYR  45   2.496  -3.106 -14.025
  396    H    VAL  46           HN       VAL  46   2.686   1.675  -6.465
  397    HA   VAL  46           HA       VAL  46   3.861   4.376  -6.378
  398    HB   VAL  46           HB       VAL  46   2.192   2.990  -4.262
  399   1HG1  VAL  46          HG11      VAL  46   3.859   4.499  -3.293
  400   2HG1  VAL  46          HG12      VAL  46   2.225   5.129  -3.089
  401   3HG1  VAL  46          HG13      VAL  46   3.281   5.802  -4.331
  402   1HG2  VAL  46          HG21      VAL  46   1.524   5.296  -6.084
  403   2HG2  VAL  46          HG22      VAL  46   0.496   4.670  -4.794
  404   3HG2  VAL  46          HG23      VAL  46   0.867   3.662  -6.194
  405    H    GLY  47           HN       GLY  47   5.681   4.725  -5.144
  406   1HA   GLY  47          HA2       GLY  47   6.867   2.294  -3.969
  407   2HA   GLY  47          HA1       GLY  47   7.804   3.427  -4.930
  408    H    VAL  48           HN       VAL  48   9.192   4.318  -3.608
  409    HA   VAL  48           HA       VAL  48  10.151   5.312  -1.820
  410    HB   VAL  48           HB       VAL  48   7.383   6.364  -1.185
  411   1HG1  VAL  48          HG11      VAL  48   8.986   6.601   0.650
  412   2HG1  VAL  48          HG12      VAL  48   8.566   8.165  -0.048
  413   3HG1  VAL  48          HG13      VAL  48  10.113   7.413  -0.439
  414   1HG2  VAL  48          HG21      VAL  48   8.002   6.914  -3.475
  415   2HG2  VAL  48          HG22      VAL  48   9.544   7.561  -2.916
  416   3HG2  VAL  48          HG23      VAL  48   8.037   8.355  -2.458
  417    HA   PRO  49           HA       PRO  49   8.851   1.690   0.744
  418   1HB   PRO  49          HB2       PRO  49  11.769   1.762   1.274
  419   2HB   PRO  49          HB1       PRO  49  10.737   0.399   0.828
  420   1HG   PRO  49          HG2       PRO  49  12.423   1.476  -0.936
  421   2HG   PRO  49          HG1       PRO  49  10.819   0.903  -1.432
  422   1HD   PRO  49          HD2       PRO  49  11.772   3.699  -0.952
  423   2HD   PRO  49          HD1       PRO  49  10.683   3.075  -2.211
  424    H    THR  50           HN       THR  50   7.995   2.219   2.639
  425    HA   THR  50           HA       THR  50   9.537   3.898   4.482
  426    HB   THR  50           HB       THR  50   6.927   4.642   4.922
  427    HG1  THR  50           HG1      THR  50   7.418   4.415   2.119
  428   1HG2  THR  50          HG21      THR  50   9.018   6.058   3.261
  429   2HG2  THR  50          HG22      THR  50   8.865   6.127   5.017
  430   3HG2  THR  50          HG23      THR  50   7.608   6.821   3.992
  431    H    LYS  51           HN       LYS  51   7.895   4.118   6.564
  432    HA   LYS  51           HA       LYS  51   7.767   1.387   7.546
  433   1HB   LYS  51          HB2       LYS  51   7.352   4.020   8.974
  434   2HB   LYS  51          HB1       LYS  51   7.450   2.442   9.744
  435   1HG   LYS  51          HG2       LYS  51   9.738   2.200   9.124
  436   2HG   LYS  51          HG1       LYS  51   9.671   3.642   8.110
  437   1HD   LYS  51          HD2       LYS  51   9.216   4.997  10.122
  438   2HD   LYS  51          HD1       LYS  51   9.372   3.545  11.111
  439   1HE   LYS  51          HE2       LYS  51  11.676   3.289  10.444
  440   2HE   LYS  51          HE1       LYS  51  11.536   4.640   9.321
  441   1HZ   LYS  51          HZ1       LYS  51  11.278   4.810  12.278
  442   2HZ   LYS  51          HZ2       LYS  51  11.135   6.110  11.194
  443   3HZ   LYS  51          HZ3       LYS  51  12.619   5.312  11.364
  444    H    SER  52           HN       SER  52   5.837   1.315   9.354
  445    HA   SER  52           HA       SER  52   3.520   0.893   7.775
  446   1HB   SER  52          HB2       SER  52   4.100  -0.490   9.752
  447   2HB   SER  52          HB1       SER  52   3.788   0.895  10.797
  448    HG   SER  52           HG       SER  52   1.693   0.642  10.539
  449    H    GLY  53           HN       GLY  53   1.762   2.136   7.444
  450   1HA   GLY  53          HA2       GLY  53   0.149   3.749   8.076
  451   2HA   GLY  53          HA1       GLY  53   1.316   4.440   9.195
  452    H    ASN  54           HN       ASN  54   2.277   3.632   5.959
  453    HA   ASN  54           HA       ASN  54   2.621   6.498   5.423
  454   1HB   ASN  54          HB2       ASN  54   4.078   5.866   3.587
  455   2HB   ASN  54          HB1       ASN  54   4.574   5.010   5.040
  456   1HD2  ASN  54          HD21      ASN  54   4.448   2.801   5.111
  457   2HD2  ASN  54          HD22      ASN  54   4.044   1.837   3.730
  458    H    VAL  55           HN       VAL  55   1.727   7.529   3.613
  459    HA   VAL  55           HA       VAL  55  -0.790   6.313   2.814
  460    HB   VAL  55           HB       VAL  55   0.294   9.091   2.312
  461   1HG1  VAL  55          HG11      VAL  55  -2.437   7.951   1.718
  462   2HG1  VAL  55          HG12      VAL  55  -1.228   8.427   0.525
  463   3HG1  VAL  55          HG13      VAL  55  -1.973   9.645   1.561
  464   1HG2  VAL  55          HG21      VAL  55  -1.364   9.787   3.959
  465   2HG2  VAL  55          HG22      VAL  55  -0.247   8.614   4.659
  466   3HG2  VAL  55          HG23      VAL  55  -1.868   8.110   4.175
  467    H    VAL  56           HN       VAL  56  -0.908   5.112   1.085
  468    HA   VAL  56           HA       VAL  56   1.021   5.300  -1.063
  469    HB   VAL  56           HB       VAL  56  -1.405   3.524  -0.710
  470   1HG1  VAL  56          HG11      VAL  56  -0.868   3.789  -3.065
  471   2HG1  VAL  56          HG12      VAL  56  -0.460   2.166  -2.509
  472   3HG1  VAL  56          HG13      VAL  56   0.812   3.364  -2.744
  473   1HG2  VAL  56          HG21      VAL  56   0.317   3.107   0.955
  474   2HG2  VAL  56          HG22      VAL  56   1.529   2.951  -0.317
  475   3HG2  VAL  56          HG23      VAL  56   0.225   1.771  -0.193
  476    H    CYS  57           HN       CYS  57  -2.533   5.455  -0.812
  477    HA   CYS  57           HA       CYS  57  -2.506   7.468  -2.954
  478   1HB   CYS  57          HB2       CYS  57  -3.236   5.249  -3.847
  479   2HB   CYS  57          HB1       CYS  57  -4.561   5.258  -2.688
  480    HG   CYS  57           HG       CYS  57  -4.329   7.918  -4.768
  481    H    LYS  58           HN       LYS  58  -3.363   9.305  -2.226
  482    HA   LYS  58           HA       LYS  58  -4.943   9.199   0.234
  483   1HB   LYS  58          HB2       LYS  58  -2.832  10.651  -0.057
  484   2HB   LYS  58          HB1       LYS  58  -3.851  11.699  -1.040
  485   1HG   LYS  58          HG2       LYS  58  -5.410  11.882   0.874
  486   2HG   LYS  58          HG1       LYS  58  -4.265  10.957   1.841
  487   1HD   LYS  58          HD2       LYS  58  -2.556  12.736   1.265
  488   2HD   LYS  58          HD1       LYS  58  -3.906  13.689   0.643
  489   1HE   LYS  58          HE2       LYS  58  -3.347  12.815   3.455
  490   2HE   LYS  58          HE1       LYS  58  -3.680  14.433   2.839
  491   1HZ   LYS  58          HZ1       LYS  58  -5.617  12.197   3.135
  492   2HZ   LYS  58          HZ2       LYS  58  -5.969  13.653   2.344
  493   3HZ   LYS  58          HZ3       LYS  58  -5.597  13.663   3.997
  494    H    ASN  59           HN       ASN  59  -7.053   9.676   0.278
  495    HA   ASN  59           HA       ASN  59  -9.171  10.179  -0.436
  496   1HB   ASN  59          HB2       ASN  59  -7.599  12.391  -1.786
  497   2HB   ASN  59          HB1       ASN  59  -9.356  12.306  -1.825
  498   1HD2  ASN  59          HD21      ASN  59 -10.519  12.849  -0.026
  499   2HD2  ASN  59          HD22      ASN  59  -9.809  13.543   1.383
  500    H    ILE  60           HN       ILE  60  -8.095   8.099  -1.733
  501    HA   ILE  60           HA       ILE  60  -7.945   8.185  -4.494
  502    HB   ILE  60           HB       ILE  60  -7.278   6.198  -3.349
  503   1HG1  ILE  60          HG12      ILE  60  -9.749   5.551  -4.972
  504   2HG1  ILE  60          HG11      ILE  60  -8.171   5.934  -5.650
  505   1HG2  ILE  60          HG21      ILE  60  -8.868   4.705  -2.217
  506   2HG2  ILE  60          HG22      ILE  60 -10.143   5.896  -2.467
  507   3HG2  ILE  60          HG23      ILE  60  -8.760   6.288  -1.445
  508   1HD1  ILE  60          HD11      ILE  60  -7.241   3.956  -4.515
  509   2HD1  ILE  60          HD12      ILE  60  -8.519   3.556  -5.664
  510   3HD1  ILE  60          HD13      ILE  60  -8.859   3.562  -3.933
  511    H    MET  61           HN       MET  61  -9.341   9.076  -5.792
  512    HA   MET  61           HA       MET  61 -11.231   9.540  -6.943
  513   1HB   MET  61          HB2       MET  61 -12.378   7.192  -5.427
  514   2HB   MET  61          HB1       MET  61 -13.145   7.980  -6.801
  515   1HG   MET  61          HG2       MET  61 -10.508   6.522  -6.818
  516   2HG   MET  61          HG1       MET  61 -12.027   5.938  -7.492
  517   1HE   MET  61          HE1       MET  61  -9.822   6.654 -10.660
  518   2HE   MET  61          HE2       MET  61 -10.754   5.445  -9.774
  519   3HE   MET  61          HE3       MET  61  -9.252   6.075  -9.095
  520    H    ASN  62           HN       ASN  62 -10.637  10.740  -4.333
  521    HA   ASN  62           HA       ASN  62 -11.484  12.540  -3.228
  522   1HB   ASN  62          HB2       ASN  62 -12.584  13.114  -5.349
  523   2HB   ASN  62          HB1       ASN  62 -13.944  12.078  -4.942
  524   1HD2  ASN  62          HD21      ASN  62 -15.515  12.830  -3.611
  525   2HD2  ASN  62          HD22      ASN  62 -15.576  14.447  -3.000
  526    H    THR  63           HN       THR  63 -12.366   9.511  -2.778
  527    HA   THR  63           HA       THR  63 -14.735   9.466  -1.328
  528    HB   THR  63           HB       THR  63 -13.862   7.381  -0.307
  529    HG1  THR  63           HG1      THR  63 -11.555   7.361  -1.807
  530   1HG2  THR  63          HG21      THR  63 -13.215   7.650  -3.238
  531   2HG2  THR  63          HG22      THR  63 -14.837   7.413  -2.585
  532   3HG2  THR  63          HG23      THR  63 -13.611   6.158  -2.386
  533    H    GLY  64           HN       GLY  64 -11.443  10.056  -0.206
  534   1HA   GLY  64          HA2       GLY  64 -11.106  11.613   1.632
  535   2HA   GLY  64          HA1       GLY  64 -12.570  10.965   2.363
  536    H    VAL  65           HN       VAL  65 -11.336   8.293   1.211
  537    HA   VAL  65           HA       VAL  65 -10.044   7.555   3.697
  538    HB   VAL  65           HB       VAL  65 -10.643   5.962   1.189
  539   1HG1  VAL  65          HG11      VAL  65  -9.525   4.993   3.821
  540   2HG1  VAL  65          HG12      VAL  65  -8.657   5.062   2.286
  541   3HG1  VAL  65          HG13      VAL  65 -10.031   3.971   2.475
  542   1HG2  VAL  65          HG21      VAL  65 -11.910   5.978   3.923
  543   2HG2  VAL  65          HG22      VAL  65 -12.289   4.829   2.639
  544   3HG2  VAL  65          HG23      VAL  65 -12.633   6.547   2.418
  545    H    ASP  66           HN       ASP  66  -7.946   7.202   4.012
  546    HA   ASP  66           HA       ASP  66  -6.097   7.851   1.829
  547   1HB   ASP  66          HB2       ASP  66  -5.514   7.658   4.800
  548   2HB   ASP  66          HB1       ASP  66  -4.444   8.295   3.556
  549    H    ILE  67           HN       ILE  67  -5.509   6.062   0.773
  550    HA   ILE  67           HA       ILE  67  -5.607   3.467   2.011
  551    HB   ILE  67           HB       ILE  67  -4.501   4.270  -0.691
  552   1HG1  ILE  67          HG12      ILE  67  -6.884   4.772  -0.511
  553   2HG1  ILE  67          HG11      ILE  67  -6.639   3.390  -1.572
  554   1HG2  ILE  67          HG21      ILE  67  -4.698   1.899  -1.264
  555   2HG2  ILE  67          HG22      ILE  67  -5.205   1.543   0.387
  556   3HG2  ILE  67          HG23      ILE  67  -3.580   2.152   0.076
  557   1HD1  ILE  67          HD11      ILE  67  -7.248   1.893   0.281
  558   2HD1  ILE  67          HD12      ILE  67  -8.539   3.017  -0.144
  559   3HD1  ILE  67          HD13      ILE  67  -7.556   3.306   1.290
  560    H    ILE  68           HN       ILE  68  -4.118   3.016   3.478
  561    HA   ILE  68           HA       ILE  68  -1.416   4.090   3.089
  562    HB   ILE  68           HB       ILE  68  -1.152   3.783   5.553
  563   1HG1  ILE  68          HG12      ILE  68  -4.146   3.330   5.464
  564   2HG1  ILE  68          HG11      ILE  68  -2.942   2.112   5.873
  565   1HG2  ILE  68          HG21      ILE  68  -1.626   5.957   4.591
  566   2HG2  ILE  68          HG22      ILE  68  -2.444   5.780   6.143
  567   3HG2  ILE  68          HG23      ILE  68  -3.358   5.626   4.641
  568   1HD1  ILE  68          HD11      ILE  68  -3.485   4.634   7.420
  569   2HD1  ILE  68          HD12      ILE  68  -2.299   3.396   7.835
  570   3HD1  ILE  68          HD13      ILE  68  -4.021   3.011   7.857
  571    H    CYS  69           HN       CYS  69   0.355   2.864   3.362
  572    HA   CYS  69           HA       CYS  69   0.029  -0.026   3.307
  573   1HB   CYS  69          HB2       CYS  69   1.574   0.702   1.693
  574   2HB   CYS  69          HB1       CYS  69   2.308   1.868   2.789
  575    HG   CYS  69           HG       CYS  69   4.044  -0.316   2.096
  576    H    THR  70           HN       THR  70   0.844  -1.392   4.884
  577    HA   THR  70           HA       THR  70   1.595  -0.052   7.404
  578    HB   THR  70           HB       THR  70  -0.681  -0.965   7.511
  579    HG1  THR  70           HG1      THR  70   1.216  -1.479   9.227
  580   1HG2  THR  70          HG21      THR  70   0.578  -3.633   6.869
  581   2HG2  THR  70          HG22      THR  70  -0.457  -2.696   5.791
  582   3HG2  THR  70          HG23      THR  70  -1.114  -3.361   7.287
  583    H    LYS  71           HN       LYS  71   3.043  -1.499   5.063
  584    HA   LYS  71           HA       LYS  71   4.503  -3.519   6.605
  585   1HB   LYS  71          HB2       LYS  71   3.699  -3.838   4.168
  586   2HB   LYS  71          HB1       LYS  71   5.003  -2.743   3.736
  587   1HG   LYS  71          HG2       LYS  71   6.029  -4.762   3.446
  588   2HG   LYS  71          HG1       LYS  71   6.454  -4.429   5.128
  589   1HD   LYS  71          HD2       LYS  71   4.628  -5.817   5.897
  590   2HD   LYS  71          HD1       LYS  71   4.095  -6.079   4.237
  591   1HE   LYS  71          HE2       LYS  71   5.290  -8.023   4.910
  592   2HE   LYS  71          HE1       LYS  71   6.313  -7.138   3.783
  593   1HZ   LYS  71          HZ1       LYS  71   7.538  -6.236   5.672
  594   2HZ   LYS  71          HZ2       LYS  71   7.581  -7.929   5.662
  595   3HZ   LYS  71          HZ3       LYS  71   6.561  -7.115   6.744
  596    H    ASN  72           HN       ASN  72   6.655  -3.236   7.151
  597    HA   ASN  72           HA       ASN  72   7.654  -0.504   6.916
  598   1HB   ASN  72          HB2       ASN  72   8.952  -2.840   8.341
  599   2HB   ASN  72          HB1       ASN  72   9.363  -1.138   8.510
  600   1HD2  ASN  72          HD21      ASN  72   6.346  -0.620   8.380
  601   2HD2  ASN  72          HD22      ASN  72   5.798  -0.949   9.985
  602    H    LEU  73           HN       LEU  73   8.443  -0.147   4.918
  603    HA   LEU  73           HA       LEU  73   9.935  -2.333   3.642
  604   1HB   LEU  73          HB2       LEU  73   8.708   0.164   2.475
  605   2HB   LEU  73          HB1       LEU  73   9.566  -1.058   1.552
  606    HG   LEU  73           HG       LEU  73   7.007  -1.510   3.092
  607   1HD1  LEU  73          HD11      LEU  73   5.983  -1.766   0.887
  608   2HD1  LEU  73          HD12      LEU  73   7.507  -1.295   0.130
  609   3HD1  LEU  73          HD13      LEU  73   6.626  -0.140   1.130
  610   1HD2  LEU  73          HD21      LEU  73   6.987  -3.693   2.005
  611   2HD2  LEU  73          HD22      LEU  73   8.419  -3.498   3.017
  612   3HD2  LEU  73          HD23      LEU  73   8.550  -3.344   1.263
  613    HA   PRO  74           HA       PRO  74  13.565   0.143   4.484
  614   1HB   PRO  74          HB2       PRO  74  15.164  -2.020   3.466
  615   2HB   PRO  74          HB1       PRO  74  14.944  -1.516   5.142
  616   1HG   PRO  74          HG2       PRO  74  14.016  -3.886   4.092
  617   2HG   PRO  74          HG1       PRO  74  13.352  -3.093   5.531
  618   1HD   PRO  74          HD2       PRO  74  12.320  -3.115   2.727
  619   2HD   PRO  74          HD1       PRO  74  11.432  -3.157   4.265
  620    H    LYS  75           HN       LYS  75  13.450   1.704   2.899
  621    HA   LYS  75           HA       LYS  75  14.050   1.382   0.180
  622   1HB   LYS  75          HB2       LYS  75  13.127   3.455   0.879
  623   2HB   LYS  75          HB1       LYS  75  14.357   3.671   2.113
  624   1HG   LYS  75          HG2       LYS  75  14.706   5.216   0.298
  625   2HG   LYS  75          HG1       LYS  75  16.032   4.060   0.369
  626   1HD   LYS  75          HD2       LYS  75  15.067   2.811  -1.485
  627   2HD   LYS  75          HD1       LYS  75  13.688   3.914  -1.527
  628   1HE   LYS  75          HE2       LYS  75  15.329   4.476  -3.252
  629   2HE   LYS  75          HE1       LYS  75  15.167   5.770  -2.067
  630   1HZ   LYS  75          HZ1       LYS  75  17.459   5.506  -2.450
  631   2HZ   LYS  75          HZ2       LYS  75  17.382   3.820  -2.345
  632   3HZ   LYS  75          HZ3       LYS  75  17.181   4.766  -0.947
  633    H    ASP  76           HN       ASP  76  16.257   2.971   2.396
  634    HA   ASP  76           HA       ASP  76  18.272   0.918   2.006
  635   1HB   ASP  76          HB2       ASP  76  20.045   2.536   1.445
  636   2HB   ASP  76          HB1       ASP  76  18.802   2.488   0.201
  637    H    SER  77           HN       SER  77  16.463   2.555   3.945
  638    HA   SER  77           HA       SER  77  18.349   3.427   5.955
  639   1HB   SER  77          HB2       SER  77  15.370   3.106   6.312
  640   2HB   SER  77          HB1       SER  77  16.451   4.263   7.090
  641    HG   SER  77           HG       SER  77  16.750   5.197   4.953
  642    H    LEU  78           HN       LEU  78  18.488   0.681   5.153
  643    HA   LEU  78           HA       LEU  78  17.061  -0.958   7.023
  644   1HB   LEU  78          HB2       LEU  78  17.579  -1.747   4.772
  645   2HB   LEU  78          HB1       LEU  78  19.296  -1.611   5.103
  646    HG   LEU  78           HG       LEU  78  19.062  -3.365   6.847
  647   1HD1  LEU  78          HD11      LEU  78  17.022  -4.709   6.918
  648   2HD1  LEU  78          HD12      LEU  78  16.249  -3.593   5.793
  649   3HD1  LEU  78          HD13      LEU  78  16.717  -3.041   7.402
  650   1HD2  LEU  78          HD21      LEU  78  19.790  -3.963   4.614
  651   2HD2  LEU  78          HD22      LEU  78  18.114  -4.129   4.091
  652   3HD2  LEU  78          HD23      LEU  78  18.778  -5.238   5.292
  653    H    GLU  79           HN       GLU  79  17.642  -0.533   9.082
  654    HA   GLU  79           HA       GLU  79  20.446  -1.060   9.803
  655   1HB   GLU  79          HB2       GLU  79  18.235   0.325  11.332
  656   2HB   GLU  79          HB1       GLU  79  19.779  -0.115  12.046
  657   1HG   GLU  79          HG2       GLU  79  20.930   1.343  10.473
  658   2HG   GLU  79          HG1       GLU  79  19.383   1.773   9.739
  659    H    HIS  80           HN       HIS  80  20.629  -2.232  11.961
  660    HA   HIS  80           HA       HIS  80  18.822  -4.516  11.997
  661   1HB   HIS  80          HB2       HIS  80  21.359  -3.864  13.502
  662   2HB   HIS  80          HB1       HIS  80  20.399  -5.303  13.829
  663    HD1  HIS  80           HD1      HIS  80  22.738  -3.817  11.321
  664    HD2  HIS  80           HD2      HIS  80  20.536  -7.305  11.866
  665    HE1  HIS  80           HE1      HIS  80  23.595  -5.441   9.599
  666    HE2  HIS  80           HE2      HIS  80  22.207  -7.526   9.904
  667    H    HIS  81           HN       HIS  81  17.767  -1.956  12.668
  668    HA   HIS  81           HA       HIS  81  17.265  -2.217  15.554
  669   1HB   HIS  81          HB2       HIS  81  18.472  -0.151  14.986
  670   2HB   HIS  81          HB1       HIS  81  17.208   0.283  13.843
  671    HD1  HIS  81           HD1      HIS  81  18.089   0.367  17.438
  672    HD2  HIS  81           HD2      HIS  81  14.776   1.155  15.042
  673    HE1  HIS  81           HE1      HIS  81  16.469   1.625  18.900
  674    HE2  HIS  81           HE2      HIS  81  14.517   2.184  17.399
  675    H    HIS  82           HN       HIS  82  15.488  -3.496  15.473
  676    HA   HIS  82           HA       HIS  82  13.019  -2.069  14.992
  677   1HB   HIS  82          HB2       HIS  82  13.591  -3.307  12.808
  678   2HB   HIS  82          HB1       HIS  82  13.344  -4.795  13.710
  679    HD1  HIS  82           HD1      HIS  82  10.882  -5.468  14.246
  680    HD2  HIS  82           HD2      HIS  82  11.276  -1.856  12.205
  681    HE1  HIS  82           HE1      HIS  82   8.575  -4.880  13.446
  682    HE2  HIS  82           HE2      HIS  82   8.880  -2.823  12.025
  683    H    HIS  83           HN       HIS  83  14.079  -5.390  15.327
  684    HA   HIS  83           HA       HIS  83  14.167  -5.925  17.930
  685   1HB   HIS  83          HB2       HIS  83  11.454  -5.217  17.395
  686   2HB   HIS  83          HB1       HIS  83  11.494  -6.955  17.674
  687    HD1  HIS  83           HD1      HIS  83  11.250  -7.585  20.070
  688    HD2  HIS  83           HD2      HIS  83  12.936  -3.806  19.612
  689    HE1  HIS  83           HE1      HIS  83  11.538  -6.680  22.396
  690    HE2  HIS  83           HE2      HIS  83  12.775  -4.505  22.100
  691    H    HIS  84           HN       HIS  84  13.435  -8.390  18.331
  692    HA   HIS  84           HA       HIS  84  14.151  -9.867  15.943
  693   1HB   HIS  84          HB2       HIS  84  14.785 -10.410  18.422
  694   2HB   HIS  84          HB1       HIS  84  13.190 -11.155  18.482
  695    HD1  HIS  84           HD1      HIS  84  14.423 -13.465  18.827
  696    HD2  HIS  84           HD2      HIS  84  15.102 -11.628  15.161
  697    HE1  HIS  84           HE1      HIS  84  15.465 -15.225  17.369
  698    HE2  HIS  84           HE2      HIS  84  15.742 -14.134  15.114
  699    H    HIS  85           HN       HIS  85  11.633  -8.276  16.426
  700    HA   HIS  85           HA       HIS  85   9.739 -10.218  15.341
  701   1HB   HIS  85          HB2       HIS  85   9.024  -9.986  17.616
  702   2HB   HIS  85          HB1       HIS  85   9.271  -8.246  17.588
  703    HD1  HIS  85           HD1      HIS  85   7.231  -6.886  17.231
  704    HD2  HIS  85           HD2      HIS  85   6.764 -10.786  15.842
  705    HE1  HIS  85           HE1      HIS  85   4.829  -7.068  16.498
  706    HE2  HIS  85           HE2      HIS  85   4.535  -9.461  15.777
  Start of MODEL    7
    1   1H    MET   1          HT1       MET   1 -23.709   1.755   2.611
    2   2H    MET   1          HT2       MET   1 -24.700   3.058   3.060
    3   3H    MET   1          HT3       MET   1 -25.357   1.502   2.938
    4    HA   MET   1           HA       MET   1 -23.298   2.360   4.867
    5   1HB   MET   1          HB2       MET   1 -25.033   2.135   6.588
    6   2HB   MET   1          HB1       MET   1 -25.442   3.369   5.412
    7   1HG   MET   1          HG2       MET   1 -26.571   0.580   5.450
    8   2HG   MET   1          HG1       MET   1 -27.368   2.006   6.111
    9   1HE   MET   1          HE1       MET   1 -29.537   1.560   4.693
   10   2HE   MET   1          HE2       MET   1 -28.806   0.094   4.042
   11   3HE   MET   1          HE3       MET   1 -29.537   1.275   2.954
   12    H    HIS   2           HN       HIS   2 -22.058   0.589   4.160
   13    HA   HIS   2           HA       HIS   2 -22.326  -1.633   5.890
   14   1HB   HIS   2          HB2       HIS   2 -23.675  -1.969   3.421
   15   2HB   HIS   2          HB1       HIS   2 -22.188  -2.906   3.305
   16    HD1  HIS   2           HD1      HIS   2 -22.077  -5.080   4.602
   17    HD2  HIS   2           HD2      HIS   2 -25.420  -2.788   5.542
   18    HE1  HIS   2           HE1      HIS   2 -23.531  -6.553   6.029
   19    HE2  HIS   2           HE2      HIS   2 -25.601  -5.188   6.501
   20    H    LYS   3           HN       LYS   3 -20.258  -1.082   6.469
   21    HA   LYS   3           HA       LYS   3 -18.312  -0.798   4.284
   22   1HB   LYS   3          HB2       LYS   3 -18.140   0.451   7.021
   23   2HB   LYS   3          HB1       LYS   3 -17.132   0.802   5.624
   24   1HG   LYS   3          HG2       LYS   3 -19.204   1.617   4.465
   25   2HG   LYS   3          HG1       LYS   3 -20.035   1.472   6.015
   26   1HD   LYS   3          HD2       LYS   3 -18.312   2.989   6.995
   27   2HD   LYS   3          HD1       LYS   3 -17.669   3.219   5.367
   28   1HE   LYS   3          HE2       LYS   3 -20.473   3.881   6.257
   29   2HE   LYS   3          HE1       LYS   3 -19.166   5.042   6.019
   30   1HZ   LYS   3          HZ1       LYS   3 -20.546   5.021   4.086
   31   2HZ   LYS   3          HZ2       LYS   3 -20.430   3.332   3.943
   32   3HZ   LYS   3          HZ3       LYS   3 -19.062   4.302   3.679
   33    H    ASP   4           HN       ASP   4 -16.380  -1.761   4.367
   34    HA   ASP   4           HA       ASP   4 -15.507  -3.061   6.842
   35   1HB   ASP   4          HB2       ASP   4 -16.628  -4.672   5.074
   36   2HB   ASP   4          HB1       ASP   4 -15.094  -4.489   4.230
   37    H    ILE   5           HN       ILE   5 -13.155  -3.331   6.882
   38    HA   ILE   5           HA       ILE   5 -11.820  -1.124   5.686
   39    HB   ILE   5           HB       ILE   5 -10.703  -3.492   7.197
   40   1HG1  ILE   5          HG12      ILE   5 -12.194  -2.079   8.534
   41   2HG1  ILE   5          HG11      ILE   5 -10.525  -1.907   9.068
   42   1HG2  ILE   5          HG21      ILE   5  -9.354  -0.924   6.375
   43   2HG2  ILE   5          HG22      ILE   5  -8.983  -2.541   5.779
   44   3HG2  ILE   5          HG23      ILE   5  -8.670  -2.130   7.465
   45   1HD1  ILE   5          HD11      ILE   5 -10.352   0.203   7.862
   46   2HD1  ILE   5          HD12      ILE   5 -11.676   0.232   9.027
   47   3HD1  ILE   5          HD13      ILE   5 -12.018   0.029   7.308
   48    H    PHE   6           HN       PHE   6 -11.139  -1.026   3.666
   49    HA   PHE   6           HA       PHE   6 -10.801  -3.397   2.071
   50   1HB   PHE   6          HB2       PHE   6 -11.733  -1.413   1.021
   51   2HB   PHE   6          HB1       PHE   6 -10.304  -0.478   1.444
   52    HD1  PHE   6           HD1      PHE   6 -11.626  -3.127  -0.731
   53    HD2  PHE   6           HD2      PHE   6  -8.304  -0.615   0.145
   54    HE1  PHE   6           HE1      PHE   6 -10.602  -3.737  -2.882
   55    HE2  PHE   6           HE2      PHE   6  -7.275  -1.221  -2.004
   56    HZ   PHE   6           HZ       PHE   6  -8.422  -2.782  -3.522
   57    H    THR   7           HN       THR   7  -9.079  -4.599   2.388
   58    HA   THR   7           HA       THR   7  -6.467  -3.261   2.509
   59    HB   THR   7           HB       THR   7  -6.830  -4.208   4.676
   60    HG1  THR   7           HG1      THR   7  -4.757  -4.650   3.533
   61   1HG2  THR   7          HG21      THR   7  -8.638  -5.758   4.108
   62   2HG2  THR   7          HG22      THR   7  -7.382  -6.550   5.058
   63   3HG2  THR   7          HG23      THR   7  -7.477  -6.825   3.319
   64    H    SER   8           HN       SER   8  -4.995  -3.919   1.034
   65    HA   SER   8           HA       SER   8  -5.299  -6.421  -0.384
   66   1HB   SER   8          HB2       SER   8  -5.575  -3.760  -1.808
   67   2HB   SER   8          HB1       SER   8  -5.367  -5.314  -2.615
   68    HG   SER   8           HG       SER   8  -7.374  -5.455  -0.824
   69    H    VAL   9           HN       VAL   9  -3.601  -5.826  -2.532
   70    HA   VAL   9           HA       VAL   9  -1.131  -4.989  -1.168
   71    HB   VAL   9           HB       VAL   9  -1.357  -7.332  -3.071
   72   1HG1  VAL   9          HG11      VAL   9   0.798  -6.199  -3.160
   73   2HG1  VAL   9          HG12      VAL   9   0.945  -7.799  -2.432
   74   3HG1  VAL   9          HG13      VAL   9   0.961  -6.361  -1.411
   75   1HG2  VAL   9          HG21      VAL   9  -0.999  -7.314  -0.076
   76   2HG2  VAL   9          HG22      VAL   9  -0.890  -8.738  -1.112
   77   3HG2  VAL   9          HG23      VAL   9  -2.419  -7.873  -0.960
   78    H    VAL  10           HN       VAL  10   0.171  -3.659  -2.320
   79    HA   VAL  10           HA       VAL  10  -0.517  -3.201  -5.151
   80    HB   VAL  10           HB       VAL  10  -1.142  -1.296  -3.668
   81   1HG1  VAL  10          HG11      VAL  10   1.824  -1.103  -3.181
   82   2HG1  VAL  10          HG12      VAL  10   0.579  -1.479  -1.989
   83   3HG1  VAL  10          HG13      VAL  10   0.634   0.118  -2.734
   84   1HG2  VAL  10          HG21      VAL  10  -0.662  -0.885  -6.009
   85   2HG2  VAL  10          HG22      VAL  10   1.056  -0.710  -5.647
   86   3HG2  VAL  10          HG23      VAL  10  -0.101   0.464  -5.020
   87    H    ARG  11           HN       ARG  11   1.233  -2.776  -6.580
   88    HA   ARG  11           HA       ARG  11   3.588  -4.253  -5.888
   89   1HB   ARG  11          HB2       ARG  11   2.563  -2.972  -8.368
   90   2HB   ARG  11          HB1       ARG  11   4.291  -3.268  -8.258
   91   1HG   ARG  11          HG2       ARG  11   3.335  -5.125  -9.367
   92   2HG   ARG  11          HG1       ARG  11   3.750  -5.661  -7.740
   93   1HD   ARG  11          HD2       ARG  11   1.566  -6.501  -8.388
   94   2HD   ARG  11          HD1       ARG  11   1.419  -5.359  -7.054
   95    HE   ARG  11           HE       ARG  11   0.376  -3.839  -8.467
   96   1HH1  ARG  11          HH11      ARG  11   1.361  -6.720 -10.214
   97   2HH1  ARG  11          HH12      ARG  11   0.417  -6.328 -11.624
   98   1HH2  ARG  11          HH21      ARG  11  -0.839  -3.331 -10.326
   99   2HH2  ARG  11          HH22      ARG  11  -0.807  -4.396 -11.700
  100    H    VAL  12           HN       VAL  12   5.545  -3.591  -5.399
  101    HA   VAL  12           HA       VAL  12   6.024  -0.690  -5.164
  102    HB   VAL  12           HB       VAL  12   7.425  -2.890  -3.640
  103   1HG1  VAL  12          HG11      VAL  12   8.134  -1.083  -2.156
  104   2HG1  VAL  12          HG12      VAL  12   7.302   0.086  -3.181
  105   3HG1  VAL  12          HG13      VAL  12   8.682  -0.814  -3.811
  106   1HG2  VAL  12          HG21      VAL  12   6.042  -2.286  -1.718
  107   2HG2  VAL  12          HG22      VAL  12   5.072  -2.915  -3.050
  108   3HG2  VAL  12          HG23      VAL  12   5.119  -1.181  -2.733
  109    H    ARG  13           HN       ARG  13   7.913   0.139  -6.010
  110    HA   ARG  13           HA       ARG  13   9.679  -1.759  -7.405
  111   1HB   ARG  13          HB2       ARG  13   8.871   0.959  -8.451
  112   2HB   ARG  13          HB1       ARG  13   9.870  -0.236  -9.274
  113   1HG   ARG  13          HG2       ARG  13   7.755  -1.744  -9.015
  114   2HG   ARG  13          HG1       ARG  13   6.925  -0.199  -8.826
  115   1HD   ARG  13          HD2       ARG  13   8.531  -1.166 -11.175
  116   2HD   ARG  13          HD1       ARG  13   6.819  -0.752 -11.124
  117    HE   ARG  13           HE       ARG  13   7.927   1.588 -10.487
  118   1HH1  ARG  13          HH11      ARG  13   8.774  -0.722 -12.975
  119   2HH1  ARG  13          HH12      ARG  13   9.324   0.486 -14.096
  120   1HH2  ARG  13          HH21      ARG  13   8.712   3.174 -11.917
  121   2HH2  ARG  13          HH22      ARG  13   9.348   2.710 -13.467
  122    H    GLY  14           HN       GLY  14  11.772  -0.503  -8.105
  123   1HA   GLY  14          HA2       GLY  14  13.449   1.066  -7.499
  124   2HA   GLY  14          HA1       GLY  14  12.581   1.368  -5.998
  125    H    SER  15           HN       SER  15  15.041   1.077  -5.440
  126    HA   SER  15           HA       SER  15  15.956  -1.634  -5.285
  127   1HB   SER  15          HB2       SER  15  17.031   0.779  -3.812
  128   2HB   SER  15          HB1       SER  15  17.880  -0.731  -4.146
  129    HG   SER  15           HG       SER  15  17.185   1.360  -5.896
  130    H    LYS  16           HN       LYS  16  14.597  -2.866  -4.120
  131    HA   LYS  16           HA       LYS  16  14.686  -2.587  -1.246
  132   1HB   LYS  16          HB2       LYS  16  12.141  -3.026  -1.152
  133   2HB   LYS  16          HB1       LYS  16  12.681  -1.385  -1.456
  134   1HG   LYS  16          HG2       LYS  16  10.760  -2.062  -2.853
  135   2HG   LYS  16          HG1       LYS  16  12.172  -1.585  -3.796
  136   1HD   LYS  16          HD2       LYS  16  12.714  -3.893  -4.237
  137   2HD   LYS  16          HD1       LYS  16  11.433  -4.442  -3.159
  138   1HE   LYS  16          HE2       LYS  16   9.748  -3.691  -4.622
  139   2HE   LYS  16          HE1       LYS  16  10.898  -2.765  -5.593
  140   1HZ   LYS  16          HZ1       LYS  16  10.304  -4.793  -6.722
  141   2HZ   LYS  16          HZ2       LYS  16  10.746  -5.725  -5.381
  142   3HZ   LYS  16          HZ3       LYS  16  11.930  -4.883  -6.249
  143    H    LYS  17           HN       LYS  17  13.129  -4.582  -0.407
  144    HA   LYS  17           HA       LYS  17  14.009  -6.897  -1.969
  145   1HB   LYS  17          HB2       LYS  17  14.643  -6.971   0.365
  146   2HB   LYS  17          HB1       LYS  17  12.979  -6.694   0.863
  147   1HG   LYS  17          HG2       LYS  17  13.646  -9.034   1.112
  148   2HG   LYS  17          HG1       LYS  17  12.315  -8.838  -0.030
  149   1HD   LYS  17          HD2       LYS  17  14.053  -8.859  -1.867
  150   2HD   LYS  17          HD1       LYS  17  15.219  -9.359  -0.639
  151   1HE   LYS  17          HE2       LYS  17  13.863 -11.326  -0.147
  152   2HE   LYS  17          HE1       LYS  17  12.683 -10.823  -1.357
  153   1HZ   LYS  17          HZ1       LYS  17  14.165 -12.497  -2.241
  154   2HZ   LYS  17          HZ2       LYS  17  15.516 -11.543  -1.881
  155   3HZ   LYS  17          HZ3       LYS  17  14.407 -11.025  -3.055
  156    H    TYR  18           HN       TYR  18  11.090  -5.667  -0.333
  157    HA   TYR  18           HA       TYR  18   9.460  -7.749  -1.412
  158   1HB   TYR  18          HB2       TYR  18   8.802  -5.242   0.121
  159   2HB   TYR  18          HB1       TYR  18   7.570  -6.368  -0.441
  160    HD1  TYR  18           HD1      TYR  18  10.437  -5.953   1.843
  161    HD2  TYR  18           HD2      TYR  18   7.207  -8.451   0.659
  162    HE1  TYR  18           HE1      TYR  18  10.758  -7.315   3.863
  163    HE2  TYR  18           HE2      TYR  18   7.517  -9.822   2.676
  164    HH   TYR  18           HH       TYR  18   9.235 -10.351   4.299
  165    H    ASN  19           HN       ASN  19   8.502  -7.860  -3.277
  166    HA   ASN  19           HA       ASN  19   8.616  -5.645  -5.130
  167   1HB   ASN  19          HB2       ASN  19   7.334  -8.374  -5.433
  168   2HB   ASN  19          HB1       ASN  19   7.596  -7.214  -6.731
  169   1HD2  ASN  19          HD21      ASN  19   8.552  -9.932  -6.486
  170   2HD2  ASN  19          HD22      ASN  19  10.284  -9.851  -6.568
  171    H    VAL  20           HN       VAL  20   6.458  -6.783  -2.804
  172    HA   VAL  20           HA       VAL  20   4.393  -4.936  -3.732
  173    HB   VAL  20           HB       VAL  20   2.620  -6.615  -3.111
  174   1HG1  VAL  20          HG11      VAL  20   3.100  -6.130  -5.443
  175   2HG1  VAL  20          HG12      VAL  20   2.726  -7.841  -5.239
  176   3HG1  VAL  20          HG13      VAL  20   4.399  -7.323  -5.444
  177   1HG2  VAL  20          HG21      VAL  20   3.214  -8.985  -3.122
  178   2HG2  VAL  20          HG22      VAL  20   4.023  -8.131  -1.807
  179   3HG2  VAL  20          HG23      VAL  20   4.919  -8.563  -3.263
  180    H    VAL  21           HN       VAL  21   3.186  -4.005  -2.070
  181    HA   VAL  21           HA       VAL  21   3.941  -4.817   0.663
  182    HB   VAL  21           HB       VAL  21   5.016  -2.667   0.033
  183   1HG1  VAL  21          HG11      VAL  21   3.646  -0.646  -0.199
  184   2HG1  VAL  21          HG12      VAL  21   2.188  -1.638  -0.171
  185   3HG1  VAL  21          HG13      VAL  21   3.343  -1.802  -1.495
  186   1HG2  VAL  21          HG21      VAL  21   4.539  -3.108   2.369
  187   2HG2  VAL  21          HG22      VAL  21   2.913  -2.452   2.183
  188   3HG2  VAL  21          HG23      VAL  21   4.313  -1.395   2.014
  189    HA   PRO  22           HA       PRO  22  -0.462  -5.227   1.259
  190   1HB   PRO  22          HB2       PRO  22  -0.416  -5.404   3.979
  191   2HB   PRO  22          HB1       PRO  22  -0.009  -6.749   2.910
  192   1HG   PRO  22          HG2       PRO  22   1.801  -4.875   4.374
  193   2HG   PRO  22          HG1       PRO  22   1.953  -6.626   4.136
  194   1HD   PRO  22          HD2       PRO  22   3.355  -4.826   2.676
  195   2HD   PRO  22          HD1       PRO  22   2.834  -6.391   2.021
  196    H    VAL  23           HN       VAL  23  -1.886  -3.646   1.203
  197    HA   VAL  23           HA       VAL  23  -1.431  -1.231   2.823
  198    HB   VAL  23           HB       VAL  23  -2.767   0.007   1.175
  199   1HG1  VAL  23          HG11      VAL  23  -0.475  -1.515  -0.053
  200   2HG1  VAL  23          HG12      VAL  23  -0.348  -0.055   0.927
  201   3HG1  VAL  23          HG13      VAL  23  -1.138   0.006  -0.650
  202   1HG2  VAL  23          HG21      VAL  23  -4.178  -1.794   0.357
  203   2HG2  VAL  23          HG22      VAL  23  -2.778  -2.581  -0.374
  204   3HG2  VAL  23          HG23      VAL  23  -3.331  -1.021  -0.982
  205    H    LYS  24           HN       LYS  24  -3.429  -0.103   3.484
  206    HA   LYS  24           HA       LYS  24  -5.783  -1.802   3.747
  207   1HB   LYS  24          HB2       LYS  24  -5.887  -1.569   6.155
  208   2HB   LYS  24          HB1       LYS  24  -4.347  -2.293   5.716
  209   1HG   LYS  24          HG2       LYS  24  -3.357   0.028   5.880
  210   2HG   LYS  24          HG1       LYS  24  -4.878   0.516   6.629
  211   1HD   LYS  24          HD2       LYS  24  -4.503  -1.399   8.266
  212   2HD   LYS  24          HD1       LYS  24  -2.858  -1.474   7.627
  213   1HE   LYS  24          HE2       LYS  24  -2.829  -0.126   9.603
  214   2HE   LYS  24          HE1       LYS  24  -2.593   0.934   8.214
  215   1HZ   LYS  24          HZ1       LYS  24  -5.153   0.526   9.677
  216   2HZ   LYS  24          HZ2       LYS  24  -4.939   1.535   8.336
  217   3HZ   LYS  24          HZ3       LYS  24  -4.147   1.889   9.790
  218    H    SER  25           HN       SER  25  -7.468  -0.414   5.141
  219    HA   SER  25           HA       SER  25  -7.466   2.246   3.880
  220   1HB   SER  25          HB2       SER  25  -9.763   0.525   4.825
  221   2HB   SER  25          HB1       SER  25  -9.933   2.146   4.153
  222    HG   SER  25           HG       SER  25  -8.623   0.050   2.775
  223    H    ASN  26           HN       ASN  26  -7.484   3.999   5.043
  224    HA   ASN  26           HA       ASN  26  -7.189   4.135   7.818
  225   1HB   ASN  26          HB2       ASN  26  -6.493   5.972   6.453
  226   2HB   ASN  26          HB1       ASN  26  -8.098   6.151   5.760
  227   1HD2  ASN  26          HD21      ASN  26  -8.211   8.304   6.296
  228   2HD2  ASN  26          HD22      ASN  26  -8.460   8.833   7.926
  229    H    LYS  27           HN       LYS  27 -10.062   4.486   5.793
  230    HA   LYS  27           HA       LYS  27 -11.735   4.298   8.205
  231   1HB   LYS  27          HB2       LYS  27 -12.339   5.792   5.638
  232   2HB   LYS  27          HB1       LYS  27 -13.424   5.647   7.013
  233   1HG   LYS  27          HG2       LYS  27 -11.923   6.934   8.388
  234   2HG   LYS  27          HG1       LYS  27 -10.726   6.980   7.089
  235   1HD   LYS  27          HD2       LYS  27 -12.380   8.176   5.679
  236   2HD   LYS  27          HD1       LYS  27 -13.479   8.217   7.058
  237   1HE   LYS  27          HE2       LYS  27 -10.712   9.417   7.022
  238   2HE   LYS  27          HE1       LYS  27 -12.201  10.321   6.743
  239   1HZ   LYS  27          HZ1       LYS  27 -12.938   9.730   8.965
  240   2HZ   LYS  27          HZ2       LYS  27 -11.442  10.531   9.029
  241   3HZ   LYS  27          HZ3       LYS  27 -11.514   8.851   9.235
  242    HA   PRO  28           HA       PRO  28 -13.539   0.669   6.389
  243   1HB   PRO  28          HB2       PRO  28 -16.186   1.675   7.260
  244   2HB   PRO  28          HB1       PRO  28 -15.354   0.180   7.695
  245   1HG   PRO  28          HG2       PRO  28 -15.582   2.191   9.440
  246   2HG   PRO  28          HG1       PRO  28 -14.113   1.198   9.361
  247   1HD   PRO  28          HD2       PRO  28 -14.609   3.942   8.271
  248   2HD   PRO  28          HD1       PRO  28 -13.169   3.297   9.086
  249    H    VAL  29           HN       VAL  29 -14.418   0.072   4.473
  250    HA   VAL  29           HA       VAL  29 -15.403   2.272   2.779
  251    HB   VAL  29           HB       VAL  29 -14.097  -0.254   1.797
  252   1HG1  VAL  29          HG11      VAL  29 -13.616   1.100  -0.183
  253   2HG1  VAL  29          HG12      VAL  29 -14.437   2.472   0.563
  254   3HG1  VAL  29          HG13      VAL  29 -15.345   1.016   0.155
  255   1HG2  VAL  29          HG21      VAL  29 -12.496   0.724   3.292
  256   2HG2  VAL  29          HG22      VAL  29 -12.737   2.320   2.577
  257   3HG2  VAL  29          HG23      VAL  29 -11.985   1.034   1.631
  258    H    GLU  30           HN       GLU  30 -17.345   2.040   1.795
  259    HA   GLU  30           HA       GLU  30 -19.135  -0.049   2.198
  260   1HB   GLU  30          HB2       GLU  30 -18.894   1.813  -0.175
  261   2HB   GLU  30          HB1       GLU  30 -20.292   0.801   0.165
  262   1HG   GLU  30          HG2       GLU  30 -19.309   2.758   2.194
  263   2HG   GLU  30          HG1       GLU  30 -20.316   3.296   0.859
  264    H    ILE  31           HN       ILE  31 -19.080  -2.101   1.564
  265    HA   ILE  31           HA       ILE  31 -16.908  -3.223   0.260
  266    HB   ILE  31           HB       ILE  31 -18.294  -4.509   1.769
  267   1HG1  ILE  31          HG12      ILE  31 -18.349  -5.689  -1.018
  268   2HG1  ILE  31          HG11      ILE  31 -16.976  -5.728   0.081
  269   1HG2  ILE  31          HG21      ILE  31 -20.431  -4.324  -0.350
  270   2HG2  ILE  31          HG22      ILE  31 -20.464  -3.581   1.249
  271   3HG2  ILE  31          HG23      ILE  31 -20.512  -5.337   1.092
  272   1HD1  ILE  31          HD11      ILE  31 -18.147  -7.850   0.056
  273   2HD1  ILE  31          HD12      ILE  31 -19.640  -7.046   0.537
  274   3HD1  ILE  31          HD13      ILE  31 -18.268  -7.088   1.643
  275    H    SER  32           HN       SER  32 -19.854  -1.988  -1.126
  276    HA   SER  32           HA       SER  32 -19.789  -3.389  -3.567
  277   1HB   SER  32          HB2       SER  32 -20.938  -0.644  -3.029
  278   2HB   SER  32          HB1       SER  32 -21.372  -1.723  -4.355
  279    HG   SER  32           HG       SER  32 -21.922  -3.261  -2.555
  280    H    LYS  33           HN       LYS  33 -17.805  -0.846  -2.395
  281    HA   LYS  33           HA       LYS  33 -17.066  -0.033  -5.117
  282   1HB   LYS  33          HB2       LYS  33 -16.362   1.216  -2.461
  283   2HB   LYS  33          HB1       LYS  33 -15.866   1.829  -4.031
  284   1HG   LYS  33          HG2       LYS  33 -18.412   1.884  -4.531
  285   2HG   LYS  33          HG1       LYS  33 -18.569   1.827  -2.773
  286   1HD   LYS  33          HD2       LYS  33 -18.581   4.126  -3.493
  287   2HD   LYS  33          HD1       LYS  33 -17.080   3.801  -2.621
  288   1HE   LYS  33          HE2       LYS  33 -16.613   5.112  -4.602
  289   2HE   LYS  33          HE1       LYS  33 -15.923   3.499  -4.773
  290   1HZ   LYS  33          HZ1       LYS  33 -18.334   4.611  -6.083
  291   2HZ   LYS  33          HZ2       LYS  33 -18.045   2.943  -6.012
  292   3HZ   LYS  33          HZ3       LYS  33 -16.947   3.949  -6.814
  293    H    TRP  34           HN       TRP  34 -16.241  -2.515  -3.467
  294    HA   TRP  34           HA       TRP  34 -13.490  -2.454  -2.997
  295   1HB   TRP  34          HB2       TRP  34 -14.952  -4.350  -2.378
  296   2HB   TRP  34          HB1       TRP  34 -15.151  -4.751  -4.077
  297    HD1  TRP  34           HD1      TRP  34 -12.670  -5.030  -1.200
  298    HE1  TRP  34           HE1      TRP  34 -10.775  -6.634  -1.877
  299    HE3  TRP  34           HE3      TRP  34 -13.854  -5.660  -6.138
  300    HZ2  TRP  34           HZ2      TRP  34  -9.900  -7.991  -4.194
  301    HZ3  TRP  34           HZ3      TRP  34 -12.438  -7.128  -7.512
  302    HH2  TRP  34           HH2      TRP  34 -10.501  -8.270  -6.559
  303    H    ILE  35           HN       ILE  35 -15.316  -2.947  -5.943
  304    HA   ILE  35           HA       ILE  35 -13.221  -3.731  -7.636
  305    HB   ILE  35           HB       ILE  35 -15.739  -2.238  -8.386
  306   1HG1  ILE  35          HG12      ILE  35 -15.242  -5.221  -8.239
  307   2HG1  ILE  35          HG11      ILE  35 -16.151  -4.296  -7.048
  308   1HG2  ILE  35          HG21      ILE  35 -15.461  -3.316 -10.563
  309   2HG2  ILE  35          HG22      ILE  35 -13.944  -4.033 -10.017
  310   3HG2  ILE  35          HG23      ILE  35 -14.086  -2.281 -10.174
  311   1HD1  ILE  35          HD11      ILE  35 -17.777  -3.698  -8.786
  312   2HD1  ILE  35          HD12      ILE  35 -17.644  -5.440  -8.554
  313   3HD1  ILE  35          HD13      ILE  35 -16.874  -4.675  -9.944
  314    H    ASP  36           HN       ASP  36 -14.629  -0.554  -6.968
  315    HA   ASP  36           HA       ASP  36 -13.226   1.026  -8.753
  316   1HB   ASP  36          HB2       ASP  36 -14.005   1.724  -5.908
  317   2HB   ASP  36          HB1       ASP  36 -13.598   2.882  -7.168
  318    H    PHE  37           HN       PHE  37 -12.378   0.270  -5.395
  319    HA   PHE  37           HA       PHE  37  -9.929   1.654  -5.374
  320   1HB   PHE  37          HB2       PHE  37 -11.034  -0.566  -3.660
  321   2HB   PHE  37          HB1       PHE  37  -9.455   0.149  -3.361
  322    HD1  PHE  37           HD2      PHE  37 -12.598   1.843  -4.416
  323    HD2  PHE  37           HD1      PHE  37  -9.727   1.239  -1.340
  324    HE1  PHE  37           HE2      PHE  37 -13.658   3.620  -3.088
  325    HE2  PHE  37           HE1      PHE  37 -10.779   3.015  -0.003
  326    HZ   PHE  37           HZ       PHE  37 -12.748   4.209  -0.877
  327    H    SER  38           HN       SER  38 -10.725  -1.718  -6.063
  328    HA   SER  38           HA       SER  38  -8.108  -2.710  -6.219
  329   1HB   SER  38          HB2       SER  38 -10.027  -4.199  -6.087
  330   2HB   SER  38          HB1       SER  38 -10.622  -3.620  -7.642
  331    HG   SER  38           HG       SER  38  -8.075  -4.840  -7.330
  332    H    ASN  39           HN       ASN  39 -10.227  -1.365  -8.745
  333    HA   ASN  39           HA       ASN  39  -8.421  -1.867 -10.869
  334   1HB   ASN  39          HB2       ASN  39 -10.771   0.013 -10.646
  335   2HB   ASN  39          HB1       ASN  39  -9.846  -0.199 -12.129
  336   1HD2  ASN  39          HD21      ASN  39 -12.643  -0.767 -11.671
  337   2HD2  ASN  39          HD22      ASN  39 -12.849  -2.456 -12.013
  338    H    VAL  40           HN       VAL  40  -8.704   0.751  -8.590
  339    HA   VAL  40           HA       VAL  40  -7.012   2.533 -10.077
  340    HB   VAL  40           HB       VAL  40  -7.844   2.600  -7.171
  341   1HG1  VAL  40          HG11      VAL  40  -7.081   4.937  -7.202
  342   2HG1  VAL  40          HG12      VAL  40  -6.450   4.702  -8.832
  343   3HG1  VAL  40          HG13      VAL  40  -5.753   3.810  -7.480
  344   1HG2  VAL  40          HG21      VAL  40  -9.706   2.860  -8.713
  345   2HG2  VAL  40          HG22      VAL  40  -8.836   4.129  -9.576
  346   3HG2  VAL  40          HG23      VAL  40  -9.354   4.390  -7.911
  347    H    LEU  41           HN       LEU  41  -6.558   0.356  -7.297
  348    HA   LEU  41           HA       LEU  41  -3.836   1.098  -6.902
  349   1HB   LEU  41          HB2       LEU  41  -5.429  -1.255  -5.915
  350   2HB   LEU  41          HB1       LEU  41  -3.770  -0.946  -5.443
  351    HG   LEU  41           HG       LEU  41  -6.134   0.849  -4.889
  352   1HD1  LEU  41          HD11      LEU  41  -5.751   0.248  -2.562
  353   2HD1  LEU  41          HD12      LEU  41  -4.434  -0.821  -3.043
  354   3HD1  LEU  41          HD13      LEU  41  -6.088  -1.186  -3.533
  355   1HD2  LEU  41          HD21      LEU  41  -4.562   2.179  -3.573
  356   2HD2  LEU  41          HD22      LEU  41  -4.100   2.141  -5.274
  357   3HD2  LEU  41          HD23      LEU  41  -3.235   1.145  -4.104
  358    H    SER  42           HN       SER  42  -5.403  -1.364  -8.843
  359    HA   SER  42           HA       SER  42  -3.072  -2.932  -9.277
  360   1HB   SER  42          HB2       SER  42  -4.402  -3.818 -11.251
  361   2HB   SER  42          HB1       SER  42  -5.182  -3.971  -9.675
  362    HG   SER  42           HG       SER  42  -6.698  -2.651 -10.299
  363    H    ARG  43           HN       ARG  43  -4.198   0.044 -10.562
  364    HA   ARG  43           HA       ARG  43  -2.255  -0.108 -12.764
  365   1HB   ARG  43          HB2       ARG  43  -4.576   1.795 -12.374
  366   2HB   ARG  43          HB1       ARG  43  -3.509   1.745 -13.775
  367   1HG   ARG  43          HG2       ARG  43  -4.279  -0.484 -14.322
  368   2HG   ARG  43          HG1       ARG  43  -5.281  -0.514 -12.873
  369   1HD   ARG  43          HD2       ARG  43  -6.560   1.402 -13.763
  370   2HD   ARG  43          HD1       ARG  43  -5.596   1.324 -15.239
  371    HE   ARG  43           HE       ARG  43  -6.570  -1.175 -15.057
  372   1HH1  ARG  43          HH11      ARG  43  -8.090   1.963 -14.876
  373   2HH1  ARG  43          HH12      ARG  43  -9.613   1.405 -15.503
  374   1HH2  ARG  43          HH21      ARG  43  -8.564  -1.928 -15.861
  375   2HH2  ARG  43          HH22      ARG  43  -9.891  -0.816 -16.059
  376    H    LEU  44           HN       LEU  44  -2.157   0.671  -9.728
  377    HA   LEU  44           HA       LEU  44  -0.611   3.147 -10.119
  378   1HB   LEU  44          HB2       LEU  44  -2.565   3.384  -8.623
  379   2HB   LEU  44          HB1       LEU  44  -1.930   2.107  -7.606
  380    HG   LEU  44           HG       LEU  44   0.049   3.532  -7.114
  381   1HD1  LEU  44          HD11      LEU  44  -0.011   4.927  -9.117
  382   2HD1  LEU  44          HD12      LEU  44  -0.034   5.905  -7.650
  383   3HD1  LEU  44          HD13      LEU  44  -1.520   5.659  -8.568
  384   1HD2  LEU  44          HD21      LEU  44  -2.638   4.737  -6.459
  385   2HD2  LEU  44          HD22      LEU  44  -1.128   5.050  -5.601
  386   3HD2  LEU  44          HD23      LEU  44  -1.835   3.436  -5.579
  387    H    TYR  45           HN       TYR  45   1.468   3.246  -9.302
  388    HA   TYR  45           HA       TYR  45   2.540   0.808  -8.059
  389   1HB   TYR  45          HB2       TYR  45   3.813   2.394 -10.304
  390   2HB   TYR  45          HB1       TYR  45   4.631   1.130  -9.390
  391    HD1  TYR  45           HD2      TYR  45   3.915  -1.214  -9.613
  392    HD2  TYR  45           HD1      TYR  45   2.239   1.856 -12.032
  393    HE1  TYR  45           HE2      TYR  45   3.033  -2.920 -11.152
  394    HE2  TYR  45           HE1      TYR  45   1.352   0.164 -13.580
  395    HH   TYR  45           HH       TYR  45   1.106  -3.069 -12.836
  396    H    VAL  46           HN       VAL  46   4.075   1.131  -6.495
  397    HA   VAL  46           HA       VAL  46   4.690   3.941  -5.860
  398    HB   VAL  46           HB       VAL  46   3.124   2.973  -4.225
  399   1HG1  VAL  46          HG11      VAL  46   3.766   0.631  -4.405
  400   2HG1  VAL  46          HG12      VAL  46   3.820   1.174  -2.729
  401   3HG1  VAL  46          HG13      VAL  46   5.316   0.988  -3.644
  402   1HG2  VAL  46          HG21      VAL  46   4.680   4.682  -3.470
  403   2HG2  VAL  46          HG22      VAL  46   5.888   3.448  -3.108
  404   3HG2  VAL  46          HG23      VAL  46   4.385   3.508  -2.188
  405    H    GLY  47           HN       GLY  47   6.799   4.401  -5.193
  406   1HA   GLY  47          HA2       GLY  47   8.704   2.177  -5.559
  407   2HA   GLY  47          HA1       GLY  47   9.005   3.793  -6.185
  408    H    VAL  48           HN       VAL  48  10.794   2.499  -4.539
  409    HA   VAL  48           HA       VAL  48  12.228   3.074  -2.874
  410    HB   VAL  48           HB       VAL  48  10.247   5.264  -2.214
  411   1HG1  VAL  48          HG11      VAL  48  11.541   4.689  -0.242
  412   2HG1  VAL  48          HG12      VAL  48  12.051   6.253  -0.873
  413   3HG1  VAL  48          HG13      VAL  48  13.041   4.822  -1.161
  414   1HG2  VAL  48          HG21      VAL  48  11.284   5.532  -4.403
  415   2HG2  VAL  48          HG22      VAL  48  12.884   5.361  -3.680
  416   3HG2  VAL  48          HG23      VAL  48  11.877   6.751  -3.276
  417    HA   PRO  49           HA       PRO  49  10.615   0.345   0.274
  418   1HB   PRO  49          HB2       PRO  49  12.710   0.864   2.037
  419   2HB   PRO  49          HB1       PRO  49  12.709  -0.386   0.789
  420   1HG   PRO  49          HG2       PRO  49  13.884   2.361   0.721
  421   2HG   PRO  49          HG1       PRO  49  14.534   0.844   0.066
  422   1HD   PRO  49          HD2       PRO  49  13.416   2.657  -1.535
  423   2HD   PRO  49          HD1       PRO  49  13.146   0.922  -1.803
  424    H    THR  50           HN       THR  50   8.911   1.083   1.356
  425    HA   THR  50           HA       THR  50   9.042   3.728   2.580
  426    HB   THR  50           HB       THR  50   6.465   3.273   2.682
  427    HG1  THR  50           HG1      THR  50   6.803   1.780   0.380
  428   1HG2  THR  50          HG21      THR  50   7.912   3.761   0.072
  429   2HG2  THR  50          HG22      THR  50   7.530   4.981   1.287
  430   3HG2  THR  50          HG23      THR  50   6.231   4.173   0.411
  431    H    LYS  51           HN       LYS  51   6.803   3.469   4.239
  432    HA   LYS  51           HA       LYS  51   7.882   1.822   6.434
  433   1HB   LYS  51          HB2       LYS  51   7.326   3.756   7.932
  434   2HB   LYS  51          HB1       LYS  51   8.618   4.095   6.787
  435   1HG   LYS  51          HG2       LYS  51   6.850   5.134   5.304
  436   2HG   LYS  51          HG1       LYS  51   5.763   5.024   6.685
  437   1HD   LYS  51          HD2       LYS  51   8.409   6.461   6.700
  438   2HD   LYS  51          HD1       LYS  51   6.847   7.239   6.444
  439   1HE   LYS  51          HE2       LYS  51   6.118   6.475   8.656
  440   2HE   LYS  51          HE1       LYS  51   7.692   5.718   8.910
  441   1HZ   LYS  51          HZ1       LYS  51   7.187   8.617   8.515
  442   2HZ   LYS  51          HZ2       LYS  51   8.718   7.912   8.685
  443   3HZ   LYS  51          HZ3       LYS  51   7.616   7.864   9.973
  444    H    SER  52           HN       SER  52   5.896   2.764   8.305
  445    HA   SER  52           HA       SER  52   3.434   1.673   7.146
  446   1HB   SER  52          HB2       SER  52   4.019   2.393  10.033
  447   2HB   SER  52          HB1       SER  52   2.585   1.562   9.433
  448    HG   SER  52           HG       SER  52   3.717  -0.239   9.138
  449    H    GLY  53           HN       GLY  53   1.656   2.913   6.759
  450   1HA   GLY  53          HA2       GLY  53   0.227   4.781   7.167
  451   2HA   GLY  53          HA1       GLY  53   1.603   5.657   7.825
  452    H    ASN  54           HN       ASN  54   1.957   3.869   4.898
  453    HA   ASN  54           HA       ASN  54   2.700   6.243   3.438
  454   1HB   ASN  54          HB2       ASN  54   2.326   3.452   2.341
  455   2HB   ASN  54          HB1       ASN  54   3.287   4.750   1.648
  456   1HD2  ASN  54          HD21      ASN  54   3.793   1.949   2.673
  457   2HD2  ASN  54          HD22      ASN  54   5.172   2.115   3.698
  458    H    VAL  55           HN       VAL  55   0.909   7.513   3.021
  459    HA   VAL  55           HA       VAL  55  -1.536   6.325   2.081
  460    HB   VAL  55           HB       VAL  55  -0.797   9.257   1.898
  461   1HG1  VAL  55          HG11      VAL  55  -2.762   8.624   0.619
  462   2HG1  VAL  55          HG12      VAL  55  -3.223   9.602   2.014
  463   3HG1  VAL  55          HG13      VAL  55  -3.461   7.855   2.045
  464   1HG2  VAL  55          HG21      VAL  55  -1.899   9.578   4.057
  465   2HG2  VAL  55          HG22      VAL  55  -0.476   8.543   4.201
  466   3HG2  VAL  55          HG23      VAL  55  -2.092   7.831   4.214
  467    H    VAL  56           HN       VAL  56  -1.072   5.223   0.200
  468    HA   VAL  56           HA       VAL  56   0.412   6.432  -1.928
  469    HB   VAL  56           HB       VAL  56  -0.417   4.468  -3.295
  470   1HG1  VAL  56          HG11      VAL  56   1.750   4.480  -2.207
  471   2HG1  VAL  56          HG12      VAL  56   1.033   2.871  -2.127
  472   3HG1  VAL  56          HG13      VAL  56   1.021   3.915  -0.704
  473   1HG2  VAL  56          HG21      VAL  56  -1.524   3.599  -0.624
  474   2HG2  VAL  56          HG22      VAL  56  -1.397   2.585  -2.062
  475   3HG2  VAL  56          HG23      VAL  56  -2.467   3.988  -2.064
  476    H    CYS  57           HN       CYS  57  -3.026   5.734  -1.395
  477    HA   CYS  57           HA       CYS  57  -3.615   7.909  -3.274
  478   1HB   CYS  57          HB2       CYS  57  -4.071   5.560  -4.200
  479   2HB   CYS  57          HB1       CYS  57  -5.372   5.471  -3.018
  480    HG   CYS  57           HG       CYS  57  -5.129   7.507  -5.740
  481    H    LYS  58           HN       LYS  58  -4.654   9.488  -2.265
  482    HA   LYS  58           HA       LYS  58  -6.121   8.872   0.212
  483   1HB   LYS  58          HB2       LYS  58  -4.275  10.491   0.412
  484   2HB   LYS  58          HB1       LYS  58  -5.020  11.496  -0.822
  485   1HG   LYS  58          HG2       LYS  58  -6.849  12.028   0.606
  486   2HG   LYS  58          HG1       LYS  58  -6.332  10.839   1.804
  487   1HD   LYS  58          HD2       LYS  58  -4.303  12.108   2.221
  488   2HD   LYS  58          HD1       LYS  58  -4.750  13.268   0.972
  489   1HE   LYS  58          HE2       LYS  58  -5.215  14.054   3.277
  490   2HE   LYS  58          HE1       LYS  58  -6.640  14.006   2.243
  491   1HZ   LYS  58          HZ1       LYS  58  -5.952  11.805   4.110
  492   2HZ   LYS  58          HZ2       LYS  58  -7.426  12.081   3.322
  493   3HZ   LYS  58          HZ3       LYS  58  -6.920  13.121   4.558
  494    H    ASN  59           HN       ASN  59  -8.245   9.605   0.483
  495    HA   ASN  59           HA       ASN  59 -10.399   9.675  -0.265
  496   1HB   ASN  59          HB2       ASN  59 -11.044  11.794  -1.345
  497   2HB   ASN  59          HB1       ASN  59  -9.962  12.056   0.014
  498   1HD2  ASN  59          HD21      ASN  59 -10.383  12.299  -3.412
  499   2HD2  ASN  59          HD22      ASN  59  -8.950  13.215  -3.729
  500    H    ILE  60           HN       ILE  60  -8.937   7.892  -1.665
  501    HA   ILE  60           HA       ILE  60  -8.926   8.038  -4.433
  502    HB   ILE  60           HB       ILE  60  -7.727   6.293  -3.365
  503   1HG1  ILE  60          HG12      ILE  60 -10.082   5.070  -4.823
  504   2HG1  ILE  60          HG11      ILE  60  -8.613   5.692  -5.567
  505   1HG2  ILE  60          HG21      ILE  60 -10.350   5.321  -2.247
  506   2HG2  ILE  60          HG22      ILE  60  -9.035   6.080  -1.349
  507   3HG2  ILE  60          HG23      ILE  60  -8.799   4.495  -2.084
  508   1HD1  ILE  60          HD11      ILE  60  -8.575   3.268  -5.445
  509   2HD1  ILE  60          HD12      ILE  60  -8.787   3.340  -3.695
  510   3HD1  ILE  60          HD13      ILE  60  -7.310   3.963  -4.430
  511    H    MET  61           HN       MET  61 -10.448   8.048  -5.922
  512    HA   MET  61           HA       MET  61 -12.421   7.848  -7.002
  513   1HB   MET  61          HB2       MET  61 -12.870   5.670  -4.957
  514   2HB   MET  61          HB1       MET  61 -13.964   5.990  -6.299
  515   1HG   MET  61          HG2       MET  61 -11.068   5.197  -6.524
  516   2HG   MET  61          HG1       MET  61 -12.459   4.146  -6.798
  517   1HE   MET  61          HE1       MET  61 -14.109   5.874  -9.918
  518   2HE   MET  61          HE2       MET  61 -14.435   6.202  -8.213
  519   3HE   MET  61          HE3       MET  61 -14.224   4.541  -8.770
  520    H    ASN  62           HN       ASN  62 -12.086   9.669  -4.720
  521    HA   ASN  62           HA       ASN  62 -13.317  11.407  -3.930
  522   1HB   ASN  62          HB2       ASN  62 -15.613  10.093  -5.396
  523   2HB   ASN  62          HB1       ASN  62 -15.658  11.699  -4.678
  524   1HD2  ASN  62          HD21      ASN  62 -12.990  12.424  -5.403
  525   2HD2  ASN  62          HD22      ASN  62 -12.986  12.686  -7.117
  526    H    THR  63           HN       THR  63 -13.192   8.640  -2.640
  527    HA   THR  63           HA       THR  63 -15.619   8.429  -1.122
  528    HB   THR  63           HB       THR  63 -14.399   6.649   0.123
  529    HG1  THR  63           HG1      THR  63 -12.290   6.673  -1.692
  530   1HG2  THR  63          HG21      THR  63 -15.643   6.124  -1.921
  531   2HG2  THR  63          HG22      THR  63 -14.208   5.108  -1.768
  532   3HG2  THR  63          HG23      THR  63 -14.207   6.475  -2.882
  533    H    GLY  64           HN       GLY  64 -12.244   9.014  -0.160
  534   1HA   GLY  64          HA2       GLY  64 -11.856  10.941   1.385
  535   2HA   GLY  64          HA1       GLY  64 -13.269  10.361   2.260
  536    H    VAL  65           HN       VAL  65 -11.761   7.702   1.122
  537    HA   VAL  65           HA       VAL  65 -10.544   7.111   3.701
  538    HB   VAL  65           HB       VAL  65 -10.924   5.389   1.228
  539   1HG1  VAL  65          HG11      VAL  65  -9.004   4.622   2.486
  540   2HG1  VAL  65          HG12      VAL  65 -10.348   3.499   2.698
  541   3HG1  VAL  65          HG13      VAL  65  -9.941   4.642   3.978
  542   1HG2  VAL  65          HG21      VAL  65 -13.030   5.948   2.294
  543   2HG2  VAL  65          HG22      VAL  65 -12.393   5.430   3.856
  544   3HG2  VAL  65          HG23      VAL  65 -12.633   4.251   2.570
  545    H    ASP  66           HN       ASP  66  -8.417   6.873   4.064
  546    HA   ASP  66           HA       ASP  66  -6.538   7.541   1.931
  547   1HB   ASP  66          HB2       ASP  66  -6.035   7.112   4.893
  548   2HB   ASP  66          HB1       ASP  66  -4.885   7.753   3.729
  549    H    ILE  67           HN       ILE  67  -5.807   5.863   0.762
  550    HA   ILE  67           HA       ILE  67  -5.712   3.200   1.898
  551    HB   ILE  67           HB       ILE  67  -4.748   4.159  -0.809
  552   1HG1  ILE  67          HG12      ILE  67  -7.153   4.462  -0.566
  553   2HG1  ILE  67          HG11      ILE  67  -6.827   3.118  -1.654
  554   1HG2  ILE  67          HG21      ILE  67  -4.789   1.778  -1.420
  555   2HG2  ILE  67          HG22      ILE  67  -5.199   1.366   0.245
  556   3HG2  ILE  67          HG23      ILE  67  -3.640   2.105  -0.121
  557   1HD1  ILE  67          HD11      ILE  67  -7.645   2.910   1.235
  558   2HD1  ILE  67          HD12      ILE  67  -7.282   1.547   0.176
  559   3HD1  ILE  67          HD13      ILE  67  -8.661   2.591  -0.172
  560    H    ILE  68           HN       ILE  68  -4.116   2.748   3.256
  561    HA   ILE  68           HA       ILE  68  -1.505   4.005   2.752
  562    HB   ILE  68           HB       ILE  68  -1.138   4.021   5.198
  563   1HG1  ILE  68          HG12      ILE  68  -4.074   3.279   5.336
  564   2HG1  ILE  68          HG11      ILE  68  -2.731   2.244   5.816
  565   1HG2  ILE  68          HG21      ILE  68  -1.888   6.023   4.053
  566   2HG2  ILE  68          HG22      ILE  68  -2.598   5.931   5.664
  567   3HG2  ILE  68          HG23      ILE  68  -3.570   5.528   4.249
  568   1HD1  ILE  68          HD11      ILE  68  -3.510   4.857   7.088
  569   2HD1  ILE  68          HD12      ILE  68  -2.137   3.857   7.562
  570   3HD1  ILE  68          HD13      ILE  68  -3.780   3.244   7.751
  571    H    CYS  69           HN       CYS  69   0.202   2.743   2.619
  572    HA   CYS  69           HA       CYS  69   0.024  -0.096   3.130
  573   1HB   CYS  69          HB2       CYS  69   2.651   1.296   2.815
  574   2HB   CYS  69          HB1       CYS  69   2.127  -0.261   2.182
  575    HG   CYS  69           HG       CYS  69   1.033   0.589  -0.057
  576    H    THR  70           HN       THR  70   1.190  -1.224   4.838
  577    HA   THR  70           HA       THR  70   1.854   0.559   7.079
  578    HB   THR  70           HB       THR  70  -0.473  -0.163   7.337
  579    HG1  THR  70           HG1      THR  70   1.376  -1.317   9.174
  580   1HG2  THR  70          HG21      THR  70  -1.028  -2.510   7.740
  581   2HG2  THR  70          HG22      THR  70   0.644  -2.965   7.413
  582   3HG2  THR  70          HG23      THR  70  -0.351  -2.286   6.126
  583    H    LYS  71           HN       LYS  71   3.307  -1.496   5.201
  584    HA   LYS  71           HA       LYS  71   4.644  -2.870   7.431
  585   1HB   LYS  71          HB2       LYS  71   3.646  -4.418   5.775
  586   2HB   LYS  71          HB1       LYS  71   4.660  -3.700   4.526
  587   1HG   LYS  71          HG2       LYS  71   6.650  -4.474   5.599
  588   2HG   LYS  71          HG1       LYS  71   5.741  -5.008   7.012
  589   1HD   LYS  71          HD2       LYS  71   4.544  -6.625   5.516
  590   2HD   LYS  71          HD1       LYS  71   5.664  -6.170   4.230
  591   1HE   LYS  71          HE2       LYS  71   7.539  -6.956   5.499
  592   2HE   LYS  71          HE1       LYS  71   6.530  -7.224   6.918
  593   1HZ   LYS  71          HZ1       LYS  71   6.417  -8.720   4.357
  594   2HZ   LYS  71          HZ2       LYS  71   5.311  -8.915   5.621
  595   3HZ   LYS  71          HZ3       LYS  71   6.945  -9.305   5.856
  596    H    ASN  72           HN       ASN  72   6.557  -2.143   7.948
  597    HA   ASN  72           HA       ASN  72   7.939  -0.162   6.462
  598   1HB   ASN  72          HB2       ASN  72   9.128  -1.921   8.623
  599   2HB   ASN  72          HB1       ASN  72   9.649  -0.309   8.143
  600   1HD2  ASN  72          HD21      ASN  72   6.787   0.492   7.897
  601   2HD2  ASN  72          HD22      ASN  72   6.230   0.744   9.515
  602    H    LEU  73           HN       LEU  73   8.938  -0.582   4.579
  603    HA   LEU  73           HA       LEU  73   9.663  -3.322   3.943
  604   1HB   LEU  73          HB2       LEU  73   9.674  -0.829   2.247
  605   2HB   LEU  73          HB1       LEU  73  10.019  -2.445   1.661
  606    HG   LEU  73           HG       LEU  73   7.385  -1.505   2.799
  607   1HD1  LEU  73          HD11      LEU  73   8.230  -2.171  -0.017
  608   2HD1  LEU  73          HD12      LEU  73   7.791  -0.579   0.605
  609   3HD1  LEU  73          HD13      LEU  73   6.575  -1.853   0.500
  610   1HD2  LEU  73          HD21      LEU  73   8.171  -4.173   1.630
  611   2HD2  LEU  73          HD22      LEU  73   6.540  -3.688   2.092
  612   3HD2  LEU  73          HD23      LEU  73   7.792  -3.846   3.323
  613    HA   PRO  74           HA       PRO  74  13.982  -2.337   4.680
  614   1HB   PRO  74          HB2       PRO  74  14.847  -4.862   4.847
  615   2HB   PRO  74          HB1       PRO  74  13.907  -4.130   6.155
  616   1HG   PRO  74          HG2       PRO  74  13.026  -6.026   4.019
  617   2HG   PRO  74          HG1       PRO  74  12.579  -5.985   5.733
  618   1HD   PRO  74          HD2       PRO  74  11.039  -4.960   3.671
  619   2HD   PRO  74          HD1       PRO  74  10.908  -4.478   5.373
  620    H    LYS  75           HN       LYS  75  15.945  -2.695   3.471
  621    HA   LYS  75           HA       LYS  75  15.430  -3.387   0.657
  622   1HB   LYS  75          HB2       LYS  75  17.781  -1.876   1.812
  623   2HB   LYS  75          HB1       LYS  75  17.335  -2.012   0.115
  624   1HG   LYS  75          HG2       LYS  75  15.365  -0.695   0.470
  625   2HG   LYS  75          HG1       LYS  75  15.645  -0.674   2.212
  626   1HD   LYS  75          HD2       LYS  75  16.342   1.433   1.297
  627   2HD   LYS  75          HD1       LYS  75  17.777   0.537   1.790
  628   1HE   LYS  75          HE2       LYS  75  18.226  -0.091  -0.493
  629   2HE   LYS  75          HE1       LYS  75  16.716   0.646  -1.027
  630   1HZ   LYS  75          HZ1       LYS  75  18.994   2.108   0.200
  631   2HZ   LYS  75          HZ2       LYS  75  17.557   2.803  -0.374
  632   3HZ   LYS  75          HZ3       LYS  75  18.637   2.070  -1.457
  633    H    ASP  76           HN       ASP  76  17.398  -4.052   3.451
  634    HA   ASP  76           HA       ASP  76  18.970  -6.013   1.923
  635   1HB   ASP  76          HB2       ASP  76  19.614  -4.690   4.565
  636   2HB   ASP  76          HB1       ASP  76  20.648  -5.828   3.708
  637    H    SER  77           HN       SER  77  18.729  -8.100   2.349
  638    HA   SER  77           HA       SER  77  17.195  -8.983   4.637
  639   1HB   SER  77          HB2       SER  77  18.705 -10.519   2.503
  640   2HB   SER  77          HB1       SER  77  17.715 -11.263   3.754
  641    HG   SER  77           HG       SER  77  15.938 -10.632   2.760
  642    H    LEU  78           HN       LEU  78  18.307  -8.543   6.499
  643    HA   LEU  78           HA       LEU  78  21.083  -8.824   6.864
  644   1HB   LEU  78          HB2       LEU  78  18.864  -9.026   8.906
  645   2HB   LEU  78          HB1       LEU  78  20.564  -8.830   9.284
  646    HG   LEU  78           HG       LEU  78  18.835  -6.826   7.829
  647   1HD1  LEU  78          HD11      LEU  78  19.989  -6.801  10.614
  648   2HD1  LEU  78          HD12      LEU  78  18.289  -6.995  10.190
  649   3HD1  LEU  78          HD13      LEU  78  19.114  -5.474   9.849
  650   1HD2  LEU  78          HD21      LEU  78  21.716  -6.645   8.713
  651   2HD2  LEU  78          HD22      LEU  78  20.763  -5.331   8.023
  652   3HD2  LEU  78          HD23      LEU  78  21.143  -6.751   7.048
  653    H    GLU  79           HN       GLU  79  22.126 -10.668   6.505
  654    HA   GLU  79           HA       GLU  79  20.874 -13.180   6.421
  655   1HB   GLU  79          HB2       GLU  79  23.825 -12.585   6.667
  656   2HB   GLU  79          HB1       GLU  79  23.114 -14.099   6.122
  657   1HG   GLU  79          HG2       GLU  79  22.055 -12.799   4.247
  658   2HG   GLU  79          HG1       GLU  79  23.057 -11.433   4.736
  659    H    HIS  80           HN       HIS  80  20.100 -14.252   8.074
  660    HA   HIS  80           HA       HIS  80  21.041 -13.817  10.751
  661   1HB   HIS  80          HB2       HIS  80  19.016 -15.798   9.684
  662   2HB   HIS  80          HB1       HIS  80  19.336 -15.507  11.388
  663    HD1  HIS  80           HD1      HIS  80  17.965 -13.730  12.483
  664    HD2  HIS  80           HD2      HIS  80  17.898 -13.448   8.334
  665    HE1  HIS  80           HE1      HIS  80  16.272 -11.948  11.945
  666    HE2  HIS  80           HE2      HIS  80  16.407 -11.653   9.446
  667    H    HIS  81           HN       HIS  81  23.259 -14.492  10.256
  668    HA   HIS  81           HA       HIS  81  23.704 -17.354  10.027
  669   1HB   HIS  81          HB2       HIS  81  25.302 -14.943   9.711
  670   2HB   HIS  81          HB1       HIS  81  26.138 -16.156  10.678
  671    HD1  HIS  81           HD1      HIS  81  27.307 -15.504   7.958
  672    HD2  HIS  81           HD2      HIS  81  24.451 -18.476   8.570
  673    HE1  HIS  81           HE1      HIS  81  27.559 -17.109   6.036
  674    HE2  HIS  81           HE2      HIS  81  25.812 -18.884   6.409
  675    H    HIS  82           HN       HIS  82  24.746 -18.623  11.673
  676    HA   HIS  82           HA       HIS  82  24.479 -17.512  14.376
  677   1HB   HIS  82          HB2       HIS  82  22.303 -18.544  13.618
  678   2HB   HIS  82          HB1       HIS  82  23.142 -20.085  13.517
  679    HD1  HIS  82           HD1      HIS  82  22.665 -21.489  15.475
  680    HD2  HIS  82           HD2      HIS  82  22.764 -17.450  16.469
  681    HE1  HIS  82           HE1      HIS  82  22.183 -21.381  17.944
  682    HE2  HIS  82           HE2      HIS  82  22.178 -18.929  18.510
  683    H    HIS  83           HN       HIS  83  26.738 -18.441  12.651
  684    HA   HIS  83           HA       HIS  83  27.818 -20.395  14.576
  685   1HB   HIS  83          HB2       HIS  83  27.212 -21.439  12.335
  686   2HB   HIS  83          HB1       HIS  83  28.478 -20.441  11.626
  687    HD1  HIS  83           HD1      HIS  83  30.898 -21.212  11.938
  688    HD2  HIS  83           HD2      HIS  83  28.136 -23.495  14.057
  689    HE1  HIS  83           HE1      HIS  83  32.168 -23.210  12.785
  690    HE2  HIS  83           HE2      HIS  83  30.431 -24.672  13.878
  691    H    HIS  84           HN       HIS  84  29.148 -19.113  15.709
  692    HA   HIS  84           HA       HIS  84  30.919 -17.791  16.245
  693   1HB   HIS  84          HB2       HIS  84  32.218 -19.188  14.666
  694   2HB   HIS  84          HB1       HIS  84  31.727 -18.146  13.338
  695    HD1  HIS  84           HD1      HIS  84  33.494 -16.567  12.685
  696    HD2  HIS  84           HD2      HIS  84  33.653 -17.458  16.746
  697    HE1  HIS  84           HE1      HIS  84  35.430 -15.249  13.596
  698    HE2  HIS  84           HE2      HIS  84  35.395 -15.660  16.078
  699    H    HIS  85           HN       HIS  85  28.365 -16.832  15.250
  700    HA   HIS  85           HA       HIS  85  29.065 -14.308  13.938
  701   1HB   HIS  85          HB2       HIS  85  27.263 -15.658  12.925
  702   2HB   HIS  85          HB1       HIS  85  26.355 -15.568  14.428
  703    HD1  HIS  85           HD1      HIS  85  27.442 -13.468  11.510
  704    HD2  HIS  85           HD2      HIS  85  24.925 -13.224  14.810
  705    HE1  HIS  85           HE1      HIS  85  26.061 -11.393  11.157
  706    HE2  HIS  85           HE2      HIS  85  24.682 -11.166  13.259
  Start of MODEL    8
    1   1H    MET   1          HT1       MET   1 -25.551  -2.726   4.065
    2   2H    MET   1          HT2       MET   1 -24.557  -3.990   4.610
    3   3H    MET   1          HT3       MET   1 -23.862  -2.597   3.941
    4    HA   MET   1           HA       MET   1 -24.774  -1.275   5.764
    5   1HB   MET   1          HB2       MET   1 -26.632  -2.795   6.322
    6   2HB   MET   1          HB1       MET   1 -25.478  -3.991   6.899
    7   1HG   MET   1          HG2       MET   1 -26.493  -2.773   8.744
    8   2HG   MET   1          HG1       MET   1 -24.757  -2.476   8.659
    9   1HE   MET   1          HE1       MET   1 -26.578  -0.662  10.421
   10   2HE   MET   1          HE2       MET   1 -26.026   0.952   9.975
   11   3HE   MET   1          HE3       MET   1 -24.858  -0.353  10.186
   12    H    HIS   2           HN       HIS   2 -23.137  -4.423   5.855
   13    HA   HIS   2           HA       HIS   2 -21.273  -3.651   7.863
   14   1HB   HIS   2          HB2       HIS   2 -21.712  -6.001   7.488
   15   2HB   HIS   2          HB1       HIS   2 -21.197  -5.875   5.811
   16    HD1  HIS   2           HD1      HIS   2 -19.794  -5.868   9.330
   17    HD2  HIS   2           HD2      HIS   2 -18.496  -6.197   5.387
   18    HE1  HIS   2           HE1      HIS   2 -17.366  -6.507   9.458
   19    HE2  HIS   2           HE2      HIS   2 -16.562  -6.562   7.071
   20    H    LYS   3           HN       LYS   3 -20.031  -1.935   7.514
   21    HA   LYS   3           HA       LYS   3 -18.631  -1.674   4.961
   22   1HB   LYS   3          HB2       LYS   3 -18.788   0.221   7.315
   23   2HB   LYS   3          HB1       LYS   3 -17.971   0.554   5.792
   24   1HG   LYS   3          HG2       LYS   3 -20.094   0.382   4.606
   25   2HG   LYS   3          HG1       LYS   3 -20.920   0.040   6.126
   26   1HD   LYS   3          HD2       LYS   3 -20.182   2.246   6.968
   27   2HD   LYS   3          HD1       LYS   3 -19.473   2.582   5.387
   28   1HE   LYS   3          HE2       LYS   3 -21.675   2.340   4.351
   29   2HE   LYS   3          HE1       LYS   3 -22.383   1.997   5.926
   30   1HZ   LYS   3          HZ1       LYS   3 -21.170   4.550   5.024
   31   2HZ   LYS   3          HZ2       LYS   3 -21.609   4.237   6.631
   32   3HZ   LYS   3          HZ3       LYS   3 -22.793   4.257   5.415
   33    H    ASP   4           HN       ASP   4 -16.473  -2.033   4.779
   34    HA   ASP   4           HA       ASP   4 -15.169  -3.093   7.202
   35   1HB   ASP   4          HB2       ASP   4 -16.132  -4.694   5.286
   36   2HB   ASP   4          HB1       ASP   4 -14.582  -4.313   4.545
   37    H    ILE   5           HN       ILE   5 -12.763  -3.398   6.823
   38    HA   ILE   5           HA       ILE   5 -11.677  -0.951   5.680
   39    HB   ILE   5           HB       ILE   5 -10.336  -3.192   7.211
   40   1HG1  ILE   5          HG12      ILE   5 -11.903  -1.855   8.559
   41   2HG1  ILE   5          HG11      ILE   5 -10.236  -1.589   9.060
   42   1HG2  ILE   5          HG21      ILE   5  -8.756  -2.132   5.707
   43   2HG2  ILE   5          HG22      ILE   5  -8.402  -1.692   7.379
   44   3HG2  ILE   5          HG23      ILE   5  -9.213  -0.542   6.316
   45   1HD1  ILE   5          HD11      ILE   5 -11.898   0.242   7.344
   46   2HD1  ILE   5          HD12      ILE   5 -10.211   0.511   7.789
   47   3HD1  ILE   5          HD13      ILE   5 -11.459   0.491   9.034
   48    H    PHE   6           HN       PHE   6 -11.566  -1.088   3.481
   49    HA   PHE   6           HA       PHE   6 -11.042  -3.421   2.020
   50   1HB   PHE   6          HB2       PHE   6 -11.972  -1.433   0.961
   51   2HB   PHE   6          HB1       PHE   6 -10.475  -0.552   1.244
   52    HD1  PHE   6           HD2      PHE   6 -11.997  -3.339  -0.637
   53    HD2  PHE   6           HD1      PHE   6  -8.644  -0.747  -0.237
   54    HE1  PHE   6           HE2      PHE   6 -11.138  -4.110  -2.812
   55    HE2  PHE   6           HE1      PHE   6  -7.786  -1.513  -2.406
   56    HZ   PHE   6           HZ       PHE   6  -9.031  -3.198  -3.696
   57    H    THR   7           HN       THR   7  -9.323  -4.638   1.973
   58    HA   THR   7           HA       THR   7  -6.672  -3.395   2.264
   59    HB   THR   7           HB       THR   7  -7.480  -6.140   3.264
   60    HG1  THR   7           HG1      THR   7  -8.340  -4.261   4.449
   61   1HG2  THR   7          HG21      THR   7  -4.936  -4.555   3.630
   62   2HG2  THR   7          HG22      THR   7  -5.125  -5.998   2.633
   63   3HG2  THR   7          HG23      THR   7  -5.294  -6.106   4.387
   64    H    SER   8           HN       SER   8  -5.250  -3.879   0.660
   65    HA   SER   8           HA       SER   8  -5.765  -6.170  -1.079
   66   1HB   SER   8          HB2       SER   8  -6.973  -4.178  -2.038
   67   2HB   SER   8          HB1       SER   8  -5.411  -3.376  -2.194
   68    HG   SER   8           HG       SER   8  -6.547  -5.060  -3.884
   69    H    VAL   9           HN       VAL   9  -3.893  -5.781  -2.999
   70    HA   VAL   9           HA       VAL   9  -1.385  -5.185  -1.576
   71    HB   VAL   9           HB       VAL   9  -1.807  -7.588  -3.375
   72   1HG1  VAL   9          HG11      VAL   9   0.481  -8.201  -2.714
   73   2HG1  VAL   9          HG12      VAL   9   0.622  -6.679  -1.835
   74   3HG1  VAL   9          HG13      VAL   9   0.428  -6.670  -3.586
   75   1HG2  VAL   9          HG21      VAL   9  -2.868  -7.926  -1.210
   76   2HG2  VAL   9          HG22      VAL   9  -1.378  -7.458  -0.389
   77   3HG2  VAL   9          HG23      VAL   9  -1.428  -8.933  -1.354
   78    H    VAL  10           HN       VAL  10  -0.166  -3.789  -2.680
   79    HA   VAL  10           HA       VAL  10  -0.697  -3.478  -5.562
   80    HB   VAL  10           HB       VAL  10   0.042  -1.165  -5.386
   81   1HG1  VAL  10          HG11      VAL  10  -2.060  -1.860  -3.347
   82   2HG1  VAL  10          HG12      VAL  10  -2.310  -1.615  -5.076
   83   3HG1  VAL  10          HG13      VAL  10  -1.808  -0.266  -4.057
   84   1HG2  VAL  10          HG21      VAL  10   1.662  -1.369  -3.587
   85   2HG2  VAL  10          HG22      VAL  10   0.368  -1.718  -2.440
   86   3HG2  VAL  10          HG23      VAL  10   0.469  -0.129  -3.197
   87    H    ARG  11           HN       ARG  11   1.196  -2.713  -6.840
   88    HA   ARG  11           HA       ARG  11   3.497  -4.334  -6.087
   89   1HB   ARG  11          HB2       ARG  11   2.625  -3.078  -8.676
   90   2HB   ARG  11          HB1       ARG  11   4.241  -3.741  -8.470
   91   1HG   ARG  11          HG2       ARG  11   3.200  -5.911  -7.848
   92   2HG   ARG  11          HG1       ARG  11   1.631  -5.217  -8.261
   93   1HD   ARG  11          HD2       ARG  11   2.321  -4.873 -10.535
   94   2HD   ARG  11          HD1       ARG  11   3.968  -5.369 -10.154
   95    HE   ARG  11           HE       ARG  11   1.978  -7.380  -9.591
   96   1HH1  ARG  11          HH11      ARG  11   4.182  -6.049 -11.966
   97   2HH1  ARG  11          HH12      ARG  11   4.179  -7.468 -12.965
   98   1HH2  ARG  11          HH21      ARG  11   1.984  -9.267 -10.887
   99   2HH2  ARG  11          HH22      ARG  11   2.931  -9.313 -12.341
  100    H    VAL  12           HN       VAL  12   5.388  -3.572  -5.497
  101    HA   VAL  12           HA       VAL  12   5.794  -0.657  -5.531
  102    HB   VAL  12           HB       VAL  12   7.275  -2.651  -3.818
  103   1HG1  VAL  12          HG11      VAL  12   8.359  -0.500  -4.086
  104   2HG1  VAL  12          HG12      VAL  12   7.766  -0.698  -2.437
  105   3HG1  VAL  12          HG13      VAL  12   6.885   0.323  -3.573
  106   1HG2  VAL  12          HG21      VAL  12   5.784  -2.041  -1.976
  107   2HG2  VAL  12          HG22      VAL  12   4.920  -2.849  -3.285
  108   3HG2  VAL  12          HG23      VAL  12   4.797  -1.099  -3.095
  109    H    ARG  13           HN       ARG  13   7.247   0.062  -6.945
  110    HA   ARG  13           HA       ARG  13   9.216  -1.830  -8.024
  111   1HB   ARG  13          HB2       ARG  13   8.380   0.903  -9.024
  112   2HB   ARG  13          HB1       ARG  13   9.555  -0.147  -9.806
  113   1HG   ARG  13          HG2       ARG  13   7.748  -1.843 -10.079
  114   2HG   ARG  13          HG1       ARG  13   6.607  -0.651  -9.454
  115   1HD   ARG  13          HD2       ARG  13   8.302  -0.401 -11.940
  116   2HD   ARG  13          HD1       ARG  13   6.556  -0.654 -11.877
  117    HE   ARG  13           HE       ARG  13   6.348   1.581 -10.967
  118   1HH1  ARG  13          HH11      ARG  13   9.439   0.763 -12.399
  119   2HH1  ARG  13          HH12      ARG  13   9.896   2.417 -12.663
  120   1HH2  ARG  13          HH21      ARG  13   6.919   3.741 -11.328
  121   2HH2  ARG  13          HH22      ARG  13   8.459   4.129 -12.044
  122    H    GLY  14           HN       GLY  14  11.452  -1.160  -8.197
  123   1HA   GLY  14          HA2       GLY  14  13.017   0.715  -7.629
  124   2HA   GLY  14          HA1       GLY  14  12.140   0.816  -6.109
  125    H    SER  15           HN       SER  15  14.821   0.522  -6.048
  126    HA   SER  15           HA       SER  15  15.564  -2.254  -5.906
  127   1HB   SER  15          HB2       SER  15  17.759  -1.177  -5.057
  128   2HB   SER  15          HB1       SER  15  17.270  -0.873  -6.727
  129    HG   SER  15           HG       SER  15  17.388   0.860  -4.553
  130    H    LYS  16           HN       LYS  16  14.170  -3.001  -4.266
  131    HA   LYS  16           HA       LYS  16  15.286  -2.670  -1.612
  132   1HB   LYS  16          HB2       LYS  16  12.833  -2.563  -0.715
  133   2HB   LYS  16          HB1       LYS  16  13.635  -1.089  -1.227
  134   1HG   LYS  16          HG2       LYS  16  11.270  -1.279  -1.959
  135   2HG   LYS  16          HG1       LYS  16  12.416  -1.054  -3.282
  136   1HD   LYS  16          HD2       LYS  16  12.342  -3.455  -3.750
  137   2HD   LYS  16          HD1       LYS  16  11.204  -3.678  -2.420
  138   1HE   LYS  16          HE2       LYS  16   9.479  -3.039  -3.661
  139   2HE   LYS  16          HE1       LYS  16  10.340  -1.628  -4.276
  140   1HZ   LYS  16          HZ1       LYS  16  11.371  -2.972  -5.947
  141   2HZ   LYS  16          HZ2       LYS  16   9.697  -3.248  -6.011
  142   3HZ   LYS  16          HZ3       LYS  16  10.719  -4.394  -5.290
  143    H    LYS  17           HN       LYS  17  13.660  -4.207  -0.125
  144    HA   LYS  17           HA       LYS  17  14.010  -6.804  -1.362
  145   1HB   LYS  17          HB2       LYS  17  14.249  -5.851   1.235
  146   2HB   LYS  17          HB1       LYS  17  12.781  -6.817   1.277
  147   1HG   LYS  17          HG2       LYS  17  15.510  -7.732   0.394
  148   2HG   LYS  17          HG1       LYS  17  14.679  -8.175   1.887
  149   1HD   LYS  17          HD2       LYS  17  12.939  -9.297   0.598
  150   2HD   LYS  17          HD1       LYS  17  13.726  -8.813  -0.907
  151   1HE   LYS  17          HE2       LYS  17  15.744 -10.089  -0.170
  152   2HE   LYS  17          HE1       LYS  17  14.805 -10.687   1.198
  153   1HZ   LYS  17          HZ1       LYS  17  14.182 -11.111  -1.675
  154   2HZ   LYS  17          HZ2       LYS  17  13.222 -11.645  -0.385
  155   3HZ   LYS  17          HZ3       LYS  17  14.780 -12.277  -0.599
  156    H    TYR  18           HN       TYR  18  11.327  -5.195   0.364
  157    HA   TYR  18           HA       TYR  18   9.418  -7.129  -0.499
  158   1HB   TYR  18          HB2       TYR  18   9.495  -4.926   1.342
  159   2HB   TYR  18          HB1       TYR  18   8.067  -4.786   0.323
  160    HD1  TYR  18           HD2      TYR  18   6.606  -6.925   0.108
  161    HD2  TYR  18           HD1      TYR  18   9.440  -6.302   3.219
  162    HE1  TYR  18           HE2      TYR  18   5.435  -8.583   1.494
  163    HE2  TYR  18           HE1      TYR  18   8.277  -7.959   4.617
  164    HH   TYR  18           HH       TYR  18   5.923 -10.081   3.388
  165    H    ASN  19           HN       ASN  19   8.770  -7.285  -2.533
  166    HA   ASN  19           HA       ASN  19   8.828  -4.928  -4.250
  167   1HB   ASN  19          HB2       ASN  19   8.396  -7.856  -4.853
  168   2HB   ASN  19          HB1       ASN  19   8.337  -6.591  -6.076
  169   1HD2  ASN  19          HD21      ASN  19  10.121  -8.863  -5.849
  170   2HD2  ASN  19          HD22      ASN  19  11.725  -8.215  -5.778
  171    H    VAL  20           HN       VAL  20   6.556  -6.689  -2.449
  172    HA   VAL  20           HA       VAL  20   4.397  -5.167  -3.720
  173    HB   VAL  20           HB       VAL  20   2.850  -7.131  -3.359
  174   1HG1  VAL  20          HG11      VAL  20   3.606  -6.520  -5.579
  175   2HG1  VAL  20          HG12      VAL  20   3.507  -8.276  -5.431
  176   3HG1  VAL  20          HG13      VAL  20   5.075  -7.471  -5.364
  177   1HG2  VAL  20          HG21      VAL  20   4.257  -8.420  -1.834
  178   2HG2  VAL  20          HG22      VAL  20   5.442  -8.658  -3.117
  179   3HG2  VAL  20          HG23      VAL  20   3.835  -9.367  -3.259
  180    H    VAL  21           HN       VAL  21   3.162  -4.112  -2.269
  181    HA   VAL  21           HA       VAL  21   3.413  -4.975   0.535
  182    HB   VAL  21           HB       VAL  21   4.587  -2.853   0.158
  183   1HG1  VAL  21          HG11      VAL  21   3.269  -1.980  -1.700
  184   2HG1  VAL  21          HG12      VAL  21   3.350  -0.812  -0.382
  185   3HG1  VAL  21          HG13      VAL  21   1.887  -1.765  -0.628
  186   1HG2  VAL  21          HG21      VAL  21   3.468  -3.379   2.305
  187   2HG2  VAL  21          HG22      VAL  21   2.077  -2.437   1.769
  188   3HG2  VAL  21          HG23      VAL  21   3.640  -1.651   2.000
  189    HA   PRO  22           HA       PRO  22  -1.070  -5.213   0.520
  190   1HB   PRO  22          HB2       PRO  22  -1.291  -5.665   3.202
  191   2HB   PRO  22          HB1       PRO  22  -0.920  -6.932   2.028
  192   1HG   PRO  22          HG2       PRO  22   0.921  -5.417   3.830
  193   2HG   PRO  22          HG1       PRO  22   0.930  -7.139   3.408
  194   1HD   PRO  22          HD2       PRO  22   2.621  -5.353   2.278
  195   2HD   PRO  22          HD1       PRO  22   2.013  -6.777   1.410
  196    H    VAL  23           HN       VAL  23  -2.337  -3.521   0.554
  197    HA   VAL  23           HA       VAL  23  -1.731  -1.278   2.360
  198    HB   VAL  23           HB       VAL  23  -2.848   0.180   0.687
  199   1HG1  VAL  23          HG11      VAL  23  -0.524  -1.414  -0.385
  200   2HG1  VAL  23          HG12      VAL  23  -0.420  -0.028   0.700
  201   3HG1  VAL  23          HG13      VAL  23  -1.025   0.182  -0.945
  202   1HG2  VAL  23          HG21      VAL  23  -4.250  -1.508  -0.385
  203   2HG2  VAL  23          HG22      VAL  23  -2.812  -2.290  -1.045
  204   3HG2  VAL  23          HG23      VAL  23  -3.253  -0.664  -1.570
  205    H    LYS  24           HN       LYS  24  -3.613  -0.021   3.039
  206    HA   LYS  24           HA       LYS  24  -6.107  -1.541   3.121
  207   1HB   LYS  24          HB2       LYS  24  -6.204  -1.264   5.591
  208   2HB   LYS  24          HB1       LYS  24  -4.890  -2.309   5.064
  209   1HG   LYS  24          HG2       LYS  24  -3.418  -0.220   5.198
  210   2HG   LYS  24          HG1       LYS  24  -4.743   0.490   6.121
  211   1HD   LYS  24          HD2       LYS  24  -3.309  -2.072   6.810
  212   2HD   LYS  24          HD1       LYS  24  -3.011  -0.505   7.561
  213   1HE   LYS  24          HE2       LYS  24  -5.339  -0.461   8.344
  214   2HE   LYS  24          HE1       LYS  24  -5.598  -2.053   7.628
  215   1HZ   LYS  24          HZ1       LYS  24  -3.906  -2.954   9.094
  216   2HZ   LYS  24          HZ2       LYS  24  -5.128  -2.203   9.997
  217   3HZ   LYS  24          HZ3       LYS  24  -3.639  -1.422   9.771
  218    H    SER  25           HN       SER  25  -7.777  -0.206   4.421
  219    HA   SER  25           HA       SER  25  -7.569   2.592   3.519
  220   1HB   SER  25          HB2       SER  25 -10.068   1.019   4.168
  221   2HB   SER  25          HB1       SER  25  -9.978   2.598   3.386
  222    HG   SER  25           HG       SER  25  -8.648   0.392   2.256
  223    H    ASN  26           HN       ASN  26  -7.491   4.152   5.009
  224    HA   ASN  26           HA       ASN  26  -7.386   3.560   7.769
  225   1HB   ASN  26          HB2       ASN  26  -7.218   5.970   8.114
  226   2HB   ASN  26          HB1       ASN  26  -6.196   5.473   6.771
  227   1HD2  ASN  26          HD21      ASN  26  -7.274   8.082   7.404
  228   2HD2  ASN  26          HD22      ASN  26  -8.167   8.576   6.003
  229    H    LYS  27           HN       LYS  27  -9.959   4.602   5.667
  230    HA   LYS  27           HA       LYS  27 -11.790   4.655   7.974
  231   1HB   LYS  27          HB2       LYS  27 -12.178   5.841   5.214
  232   2HB   LYS  27          HB1       LYS  27 -13.311   5.955   6.554
  233   1HG   LYS  27          HG2       LYS  27 -11.726   7.278   7.822
  234   2HG   LYS  27          HG1       LYS  27 -10.528   7.105   6.540
  235   1HD   LYS  27          HD2       LYS  27 -12.128   8.241   4.994
  236   2HD   LYS  27          HD1       LYS  27 -13.176   8.540   6.380
  237   1HE   LYS  27          HE2       LYS  27 -10.313   9.462   6.198
  238   2HE   LYS  27          HE1       LYS  27 -11.695  10.455   5.746
  239   1HZ   LYS  27          HZ1       LYS  27 -10.773  10.781   8.049
  240   2HZ   LYS  27          HZ2       LYS  27 -11.424   9.266   8.445
  241   3HZ   LYS  27          HZ3       LYS  27 -12.446  10.524   7.950
  242    HA   PRO  28           HA       PRO  28 -13.474   0.843   6.433
  243   1HB   PRO  28          HB2       PRO  28 -15.997   1.649   7.726
  244   2HB   PRO  28          HB1       PRO  28 -14.962   0.257   8.058
  245   1HG   PRO  28          HG2       PRO  28 -15.129   2.329   9.760
  246   2HG   PRO  28          HG1       PRO  28 -13.615   1.437   9.515
  247   1HD   PRO  28          HD2       PRO  28 -14.454   4.093   8.408
  248   2HD   PRO  28          HD1       PRO  28 -12.872   3.582   9.039
  249    H    VAL  29           HN       VAL  29 -14.050   0.630   4.406
  250    HA   VAL  29           HA       VAL  29 -15.726   2.657   3.149
  251    HB   VAL  29           HB       VAL  29 -15.000   1.616   1.020
  252   1HG1  VAL  29          HG11      VAL  29 -13.728   3.473   1.936
  253   2HG1  VAL  29          HG12      VAL  29 -12.665   2.333   1.112
  254   3HG1  VAL  29          HG13      VAL  29 -12.744   2.348   2.875
  255   1HG2  VAL  29          HG21      VAL  29 -14.692  -0.666   1.847
  256   2HG2  VAL  29          HG22      VAL  29 -13.278  -0.135   2.759
  257   3HG2  VAL  29          HG23      VAL  29 -13.267  -0.068   0.997
  258    H    GLU  30           HN       GLU  30 -17.338   1.958   1.568
  259    HA   GLU  30           HA       GLU  30 -19.012  -0.106   2.653
  260   1HB   GLU  30          HB2       GLU  30 -19.346   1.661   0.222
  261   2HB   GLU  30          HB1       GLU  30 -20.576   0.570   0.848
  262   1HG   GLU  30          HG2       GLU  30 -20.550   1.821   2.978
  263   2HG   GLU  30          HG1       GLU  30 -19.401   2.951   2.266
  264    H    ILE  31           HN       ILE  31 -19.636  -1.999   1.628
  265    HA   ILE  31           HA       ILE  31 -17.578  -3.262   0.123
  266    HB   ILE  31           HB       ILE  31 -19.154  -5.206   0.044
  267   1HG1  ILE  31          HG12      ILE  31 -20.903  -3.346   1.674
  268   2HG1  ILE  31          HG11      ILE  31 -21.271  -3.973   0.071
  269   1HG2  ILE  31          HG21      ILE  31 -19.010  -5.654   2.459
  270   2HG2  ILE  31          HG22      ILE  31 -18.618  -3.959   2.737
  271   3HG2  ILE  31          HG23      ILE  31 -17.515  -4.978   1.813
  272   1HD1  ILE  31          HD11      ILE  31 -21.355  -6.236   0.983
  273   2HD1  ILE  31          HD12      ILE  31 -22.502  -5.161   1.783
  274   3HD1  ILE  31          HD13      ILE  31 -20.994  -5.596   2.587
  275    H    SER  32           HN       SER  32 -18.493  -4.766  -1.777
  276    HA   SER  32           HA       SER  32 -19.041  -4.868  -3.966
  277   1HB   SER  32          HB2       SER  32 -20.911  -2.598  -3.268
  278   2HB   SER  32          HB1       SER  32 -20.859  -3.378  -4.851
  279    HG   SER  32           HG       SER  32 -21.296  -5.375  -3.752
  280    H    LYS  33           HN       LYS  33 -17.972  -1.825  -2.668
  281    HA   LYS  33           HA       LYS  33 -17.131  -0.797  -5.244
  282   1HB   LYS  33          HB2       LYS  33 -17.775   0.433  -2.922
  283   2HB   LYS  33          HB1       LYS  33 -16.027   0.368  -2.753
  284   1HG   LYS  33          HG2       LYS  33 -15.931   1.408  -5.082
  285   2HG   LYS  33          HG1       LYS  33 -17.648   1.755  -4.864
  286   1HD   LYS  33          HD2       LYS  33 -16.976   2.849  -2.667
  287   2HD   LYS  33          HD1       LYS  33 -15.317   2.754  -3.253
  288   1HE   LYS  33          HE2       LYS  33 -17.620   4.284  -4.443
  289   2HE   LYS  33          HE1       LYS  33 -16.125   4.927  -3.768
  290   1HZ   LYS  33          HZ1       LYS  33 -14.946   3.744  -5.625
  291   2HZ   LYS  33          HZ2       LYS  33 -15.937   5.031  -6.105
  292   3HZ   LYS  33          HZ3       LYS  33 -16.468   3.437  -6.311
  293    H    TRP  34           HN       TRP  34 -16.074  -3.303  -3.592
  294    HA   TRP  34           HA       TRP  34 -13.335  -2.881  -3.145
  295   1HB   TRP  34          HB2       TRP  34 -13.166  -5.398  -3.300
  296   2HB   TRP  34          HB1       TRP  34 -14.344  -4.796  -2.140
  297    HD1  TRP  34           HD1      TRP  34 -16.910  -5.268  -2.640
  298    HE1  TRP  34           HE1      TRP  34 -18.100  -6.913  -4.219
  299    HE3  TRP  34           HE3      TRP  34 -12.953  -6.549  -5.616
  300    HZ2  TRP  34           HZ2      TRP  34 -17.455  -8.535  -6.423
  301    HZ3  TRP  34           HZ3      TRP  34 -13.328  -8.158  -7.441
  302    HH2  TRP  34           HH2      TRP  34 -15.533  -9.131  -7.834
  303    H    ILE  35           HN       ILE  35 -15.120  -3.776  -6.023
  304    HA   ILE  35           HA       ILE  35 -12.853  -4.469  -7.592
  305    HB   ILE  35           HB       ILE  35 -15.086  -5.258  -8.176
  306   1HG1  ILE  35          HG12      ILE  35 -13.961  -3.436 -10.311
  307   2HG1  ILE  35          HG11      ILE  35 -13.373  -5.054  -9.945
  308   1HG2  ILE  35          HG21      ILE  35 -16.747  -3.739  -9.174
  309   2HG2  ILE  35          HG22      ILE  35 -15.712  -2.373  -8.758
  310   3HG2  ILE  35          HG23      ILE  35 -16.413  -3.367  -7.482
  311   1HD1  ILE  35          HD11      ILE  35 -16.116  -4.360 -10.967
  312   2HD1  ILE  35          HD12      ILE  35 -15.529  -5.985 -10.606
  313   3HD1  ILE  35          HD13      ILE  35 -14.794  -5.049 -11.909
  314    H    ASP  36           HN       ASP  36 -14.507  -1.520  -6.857
  315    HA   ASP  36           HA       ASP  36 -13.481   0.094  -8.933
  316   1HB   ASP  36          HB2       ASP  36 -15.435   0.744  -7.635
  317   2HB   ASP  36          HB1       ASP  36 -14.469   0.812  -6.167
  318    H    PHE  37           HN       PHE  37 -12.523  -0.135  -5.508
  319    HA   PHE  37           HA       PHE  37 -10.294   1.560  -5.771
  320   1HB   PHE  37          HB2       PHE  37 -10.920  -0.531  -3.686
  321   2HB   PHE  37          HB1       PHE  37  -9.585   0.610  -3.569
  322    HD1  PHE  37           HD1      PHE  37 -10.706   3.116  -4.435
  323    HD2  PHE  37           HD2      PHE  37 -12.489   0.034  -2.100
  324    HE1  PHE  37           HE1      PHE  37 -12.189   4.771  -3.380
  325    HE2  PHE  37           HE2      PHE  37 -13.976   1.684  -1.051
  326    HZ   PHE  37           HZ       PHE  37 -13.829   4.058  -1.692
  327    H    SER  38           HN       SER  38 -10.625  -1.946  -6.090
  328    HA   SER  38           HA       SER  38  -7.842  -2.468  -6.133
  329   1HB   SER  38          HB2       SER  38  -8.526  -4.644  -7.222
  330   2HB   SER  38          HB1       SER  38  -9.297  -4.306  -5.673
  331    HG   SER  38           HG       SER  38 -11.176  -4.029  -6.638
  332    H    ASN  39           HN       ASN  39 -10.198  -1.725  -8.665
  333    HA   ASN  39           HA       ASN  39  -8.609  -2.045 -10.924
  334   1HB   ASN  39          HB2       ASN  39 -10.844  -0.172 -10.234
  335   2HB   ASN  39          HB1       ASN  39  -9.955   0.074 -11.731
  336   1HD2  ASN  39          HD21      ASN  39 -12.733  -0.690 -11.205
  337   2HD2  ASN  39          HD22      ASN  39 -12.986  -2.156 -12.085
  338    H    VAL  40           HN       VAL  40  -8.952   0.793  -8.830
  339    HA   VAL  40           HA       VAL  40  -7.122   2.429 -10.204
  340    HB   VAL  40           HB       VAL  40  -7.835   2.534  -7.267
  341   1HG1  VAL  40          HG11      VAL  40  -5.888   3.882  -7.783
  342   2HG1  VAL  40          HG12      VAL  40  -7.276   4.924  -7.467
  343   3HG1  VAL  40          HG13      VAL  40  -6.741   4.644  -9.124
  344   1HG2  VAL  40          HG21      VAL  40  -9.829   2.563  -8.676
  345   2HG2  VAL  40          HG22      VAL  40  -9.150   3.889  -9.619
  346   3HG2  VAL  40          HG23      VAL  40  -9.562   4.135  -7.921
  347    H    LEU  41           HN       LEU  41  -6.703   0.326  -7.375
  348    HA   LEU  41           HA       LEU  41  -4.023   1.127  -6.893
  349   1HB   LEU  41          HB2       LEU  41  -5.590  -1.247  -5.913
  350   2HB   LEU  41          HB1       LEU  41  -3.981  -0.836  -5.352
  351    HG   LEU  41           HG       LEU  41  -6.478   0.821  -5.005
  352   1HD1  LEU  41          HD11      LEU  41  -6.085   0.388  -2.618
  353   2HD1  LEU  41          HD12      LEU  41  -4.733  -0.664  -3.047
  354   3HD1  LEU  41          HD13      LEU  41  -6.376  -1.094  -3.527
  355   1HD2  LEU  41          HD21      LEU  41  -4.543   2.261  -5.379
  356   2HD2  LEU  41          HD22      LEU  41  -3.648   1.397  -4.128
  357   3HD2  LEU  41          HD23      LEU  41  -5.074   2.339  -3.699
  358    H    SER  42           HN       SER  42  -5.397  -1.696  -8.574
  359    HA   SER  42           HA       SER  42  -2.904  -3.024  -8.859
  360   1HB   SER  42          HB2       SER  42  -5.433  -3.302 -10.502
  361   2HB   SER  42          HB1       SER  42  -4.073  -4.426 -10.520
  362    HG   SER  42           HG       SER  42  -6.125  -4.544  -8.955
  363    H    ARG  43           HN       ARG  43  -4.330  -0.375 -10.510
  364    HA   ARG  43           HA       ARG  43  -2.404  -0.606 -12.714
  365   1HB   ARG  43          HB2       ARG  43  -4.697   1.340 -12.369
  366   2HB   ARG  43          HB1       ARG  43  -3.694   1.168 -13.803
  367   1HG   ARG  43          HG2       ARG  43  -4.542  -1.083 -14.146
  368   2HG   ARG  43          HG1       ARG  43  -5.518  -0.946 -12.682
  369   1HD   ARG  43          HD2       ARG  43  -6.959  -0.519 -14.520
  370   2HD   ARG  43          HD1       ARG  43  -6.649   1.026 -13.733
  371    HE   ARG  43           HE       ARG  43  -4.770   0.759 -15.764
  372   1HH1  ARG  43          HH11      ARG  43  -8.232   1.102 -15.411
  373   2HH1  ARG  43          HH12      ARG  43  -8.463   1.741 -17.008
  374   1HH2  ARG  43          HH21      ARG  43  -5.044   1.644 -17.837
  375   2HH2  ARG  43          HH22      ARG  43  -6.640   2.072 -18.392
  376    H    LEU  44           HN       LEU  44  -2.187   0.335  -9.741
  377    HA   LEU  44           HA       LEU  44  -0.763   2.847 -10.314
  378   1HB   LEU  44          HB2       LEU  44  -2.710   3.172  -8.863
  379   2HB   LEU  44          HB1       LEU  44  -2.100   1.957  -7.756
  380    HG   LEU  44           HG       LEU  44  -0.145   3.407  -7.286
  381   1HD1  LEU  44          HD11      LEU  44  -0.090   4.646  -9.385
  382   2HD1  LEU  44          HD12      LEU  44  -0.179   5.741  -8.006
  383   3HD1  LEU  44          HD13      LEU  44  -1.619   5.424  -8.974
  384   1HD2  LEU  44          HD21      LEU  44  -1.349   5.047  -5.934
  385   2HD2  LEU  44          HD22      LEU  44  -2.101   3.455  -5.828
  386   3HD2  LEU  44          HD23      LEU  44  -2.827   4.709  -6.834
  387    H    TYR  45           HN       TYR  45   1.363   2.636 -10.211
  388    HA   TYR  45           HA       TYR  45   2.489   0.527  -8.505
  389   1HB   TYR  45          HB2       TYR  45   3.730   1.909 -10.897
  390   2HB   TYR  45          HB1       TYR  45   4.472   0.618  -9.956
  391    HD1  TYR  45           HD2      TYR  45   3.622  -1.683 -10.121
  392    HD2  TYR  45           HD1      TYR  45   2.001   1.446 -12.504
  393    HE1  TYR  45           HE2      TYR  45   2.556  -3.351 -11.578
  394    HE2  TYR  45           HE1      TYR  45   0.928  -0.213 -13.966
  395    HH   TYR  45           HH       TYR  45   0.582  -3.438 -13.140
  396    H    VAL  46           HN       VAL  46   3.713   1.091  -6.821
  397    HA   VAL  46           HA       VAL  46   4.435   3.935  -6.566
  398    HB   VAL  46           HB       VAL  46   2.849   3.157  -4.859
  399   1HG1  VAL  46          HG11      VAL  46   5.007   1.207  -4.076
  400   2HG1  VAL  46          HG12      VAL  46   3.435   0.813  -4.771
  401   3HG1  VAL  46          HG13      VAL  46   3.534   1.526  -3.161
  402   1HG2  VAL  46          HG21      VAL  46   5.603   3.752  -3.791
  403   2HG2  VAL  46          HG22      VAL  46   4.112   3.855  -2.855
  404   3HG2  VAL  46          HG23      VAL  46   4.361   4.923  -4.236
  405    H    GLY  47           HN       GLY  47   6.535   4.499  -6.057
  406   1HA   GLY  47          HA2       GLY  47   8.454   2.263  -5.936
  407   2HA   GLY  47          HA1       GLY  47   8.725   3.655  -6.960
  408    H    VAL  48           HN       VAL  48   8.144   2.787  -3.604
  409    HA   VAL  48           HA       VAL  48  10.466   4.171  -2.724
  410    HB   VAL  48           HB       VAL  48   9.076   6.148  -2.974
  411   1HG1  VAL  48          HG11      VAL  48   6.872   5.157  -2.839
  412   2HG1  VAL  48          HG12      VAL  48   7.023   6.465  -1.666
  413   3HG1  VAL  48          HG13      VAL  48   7.116   4.787  -1.133
  414   1HG2  VAL  48          HG21      VAL  48  10.639   6.109  -1.113
  415   2HG2  VAL  48          HG22      VAL  48   9.404   5.400  -0.072
  416   3HG2  VAL  48          HG23      VAL  48   9.196   7.034  -0.699
  417    HA   PRO  49           HA       PRO  49   9.720   1.016   0.388
  418   1HB   PRO  49          HB2       PRO  49  12.265   1.979   1.486
  419   2HB   PRO  49          HB1       PRO  49  11.851   0.378   0.865
  420   1HG   PRO  49          HG2       PRO  49  13.515   2.023  -0.461
  421   2HG   PRO  49          HG1       PRO  49  12.402   0.930  -1.307
  422   1HD   PRO  49          HD2       PRO  49  12.125   3.869  -0.769
  423   2HD   PRO  49          HD1       PRO  49  11.781   2.964  -2.259
  424    H    THR  50           HN       THR  50   8.269   1.555   1.880
  425    HA   THR  50           HA       THR  50   8.789   3.891   3.595
  426    HB   THR  50           HB       THR  50   6.153   3.733   3.733
  427    HG1  THR  50           HG1      THR  50   5.385   3.204   1.568
  428   1HG2  THR  50          HG21      THR  50   7.634   5.005   1.424
  429   2HG2  THR  50          HG22      THR  50   7.421   5.707   3.028
  430   3HG2  THR  50          HG23      THR  50   6.022   5.453   1.984
  431    H    LYS  51           HN       LYS  51   7.451   3.835   5.648
  432    HA   LYS  51           HA       LYS  51   7.558   1.135   6.796
  433   1HB   LYS  51          HB2       LYS  51   7.540   3.830   8.173
  434   2HB   LYS  51          HB1       LYS  51   7.619   2.274   8.992
  435   1HG   LYS  51          HG2       LYS  51   9.749   1.809   7.830
  436   2HG   LYS  51          HG1       LYS  51   9.680   3.421   7.117
  437   1HD   LYS  51          HD2       LYS  51   9.779   2.814  10.072
  438   2HD   LYS  51          HD1       LYS  51  11.146   3.340   9.090
  439   1HE   LYS  51          HE2       LYS  51   9.951   5.426   8.576
  440   2HE   LYS  51          HE1       LYS  51   8.615   4.903   9.600
  441   1HZ   LYS  51          HZ1       LYS  51  11.396   5.503  10.462
  442   2HZ   LYS  51          HZ2       LYS  51  10.222   4.812  11.468
  443   3HZ   LYS  51          HZ3       LYS  51   9.991   6.372  10.844
  444    H    SER  52           HN       SER  52   5.883   1.046   8.785
  445    HA   SER  52           HA       SER  52   3.403   0.680   7.528
  446   1HB   SER  52          HB2       SER  52   4.220  -0.573   9.535
  447   2HB   SER  52          HB1       SER  52   3.901   0.862  10.508
  448    HG   SER  52           HG       SER  52   1.928   0.168  10.636
  449    H    GLY  53           HN       GLY  53   1.607   1.901   7.342
  450   1HA   GLY  53          HA2       GLY  53   0.055   3.543   7.987
  451   2HA   GLY  53          HA1       GLY  53   1.264   4.227   9.066
  452    H    ASN  54           HN       ASN  54   2.044   3.442   5.768
  453    HA   ASN  54           HA       ASN  54   2.431   6.322   5.283
  454   1HB   ASN  54          HB2       ASN  54   3.947   5.737   3.517
  455   2HB   ASN  54          HB1       ASN  54   4.361   4.759   4.918
  456   1HD2  ASN  54          HD21      ASN  54   4.095   2.554   4.837
  457   2HD2  ASN  54          HD22      ASN  54   3.756   1.713   3.363
  458    H    VAL  55           HN       VAL  55   1.328   7.435   3.761
  459    HA   VAL  55           HA       VAL  55  -0.967   6.032   2.610
  460    HB   VAL  55           HB       VAL  55  -0.439   8.997   2.463
  461   1HG1  VAL  55          HG11      VAL  55  -2.880   9.118   2.284
  462   2HG1  VAL  55          HG12      VAL  55  -2.964   7.357   2.364
  463   3HG1  VAL  55          HG13      VAL  55  -2.169   8.142   0.999
  464   1HG2  VAL  55          HG21      VAL  55  -1.795   9.270   4.484
  465   2HG2  VAL  55          HG22      VAL  55  -0.311   8.374   4.814
  466   3HG2  VAL  55          HG23      VAL  55  -1.848   7.518   4.685
  467    H    VAL  56           HN       VAL  56  -0.969   5.419   0.524
  468    HA   VAL  56           HA       VAL  56   1.011   6.592  -1.286
  469    HB   VAL  56           HB       VAL  56   0.234   4.775  -2.879
  470   1HG1  VAL  56          HG11      VAL  56   2.321   4.614  -1.654
  471   2HG1  VAL  56          HG12      VAL  56   1.544   3.033  -1.748
  472   3HG1  VAL  56          HG13      VAL  56   1.471   3.964  -0.251
  473   1HG2  VAL  56          HG21      VAL  56  -1.911   4.271  -1.848
  474   2HG2  VAL  56          HG22      VAL  56  -1.094   3.736  -0.377
  475   3HG2  VAL  56          HG23      VAL  56  -0.885   2.836  -1.880
  476    H    CYS  57           HN       CYS  57  -2.479   6.159  -0.957
  477    HA   CYS  57           HA       CYS  57  -2.813   8.189  -3.056
  478   1HB   CYS  57          HB2       CYS  57  -3.443   5.883  -3.844
  479   2HB   CYS  57          HB1       CYS  57  -4.694   5.862  -2.606
  480    HG   CYS  57           HG       CYS  57  -4.700   8.449  -4.788
  481    H    LYS  58           HN       LYS  58  -3.790   9.933  -2.333
  482    HA   LYS  58           HA       LYS  58  -5.252   9.774   0.219
  483   1HB   LYS  58          HB2       LYS  58  -4.005  12.190  -1.114
  484   2HB   LYS  58          HB1       LYS  58  -4.722  12.139   0.490
  485   1HG   LYS  58          HG2       LYS  58  -2.977  10.737   1.307
  486   2HG   LYS  58          HG1       LYS  58  -2.325  10.514  -0.318
  487   1HD   LYS  58          HD2       LYS  58  -1.848  12.939  -0.416
  488   2HD   LYS  58          HD1       LYS  58  -2.406  13.090   1.250
  489   1HE   LYS  58          HE2       LYS  58  -0.160  11.285   0.383
  490   2HE   LYS  58          HE1       LYS  58   0.074  12.926   0.980
  491   1HZ   LYS  58          HZ1       LYS  58  -1.342  10.847   2.544
  492   2HZ   LYS  58          HZ2       LYS  58  -0.738  12.331   3.093
  493   3HZ   LYS  58          HZ3       LYS  58   0.331  11.094   2.651
  494    H    ASN  59           HN       ASN  59  -7.380  10.209   0.244
  495    HA   ASN  59           HA       ASN  59  -9.495  10.695  -0.486
  496   1HB   ASN  59          HB2       ASN  59  -8.376  13.011  -0.537
  497   2HB   ASN  59          HB1       ASN  59  -8.212  12.779  -2.272
  498   1HD2  ASN  59          HD21      ASN  59 -10.394  13.364   0.348
  499   2HD2  ASN  59          HD22      ASN  59 -11.768  13.786  -0.620
  500    H    ILE  60           HN       ILE  60  -8.472   8.536  -1.598
  501    HA   ILE  60           HA       ILE  60  -8.140   8.467  -4.376
  502    HB   ILE  60           HB       ILE  60  -7.380   6.634  -3.016
  503   1HG1  ILE  60          HG12      ILE  60  -9.629   5.698  -4.811
  504   2HG1  ILE  60          HG11      ILE  60  -8.014   6.140  -5.351
  505   1HG2  ILE  60          HG21      ILE  60 -10.276   6.122  -2.359
  506   2HG2  ILE  60          HG22      ILE  60  -9.034   6.707  -1.252
  507   3HG2  ILE  60          HG23      ILE  60  -8.926   5.076  -1.914
  508   1HD1  ILE  60          HD11      ILE  60  -8.694   3.858  -3.510
  509   2HD1  ILE  60          HD12      ILE  60  -7.076   4.301  -4.053
  510   3HD1  ILE  60          HD13      ILE  60  -8.270   3.731  -5.218
  511    H    MET  61           HN       MET  61  -9.497   8.595  -6.011
  512    HA   MET  61           HA       MET  61 -11.377   8.688  -7.273
  513   1HB   MET  61          HB2       MET  61 -12.468   6.855  -5.128
  514   2HB   MET  61          HB1       MET  61 -13.287   7.210  -6.644
  515   1HG   MET  61          HG2       MET  61 -10.581   5.914  -6.398
  516   2HG   MET  61          HG1       MET  61 -12.098   5.063  -6.679
  517   1HE   MET  61          HE1       MET  61 -13.121   6.121 -10.229
  518   2HE   MET  61          HE2       MET  61 -13.696   6.760  -8.689
  519   3HE   MET  61          HE3       MET  61 -13.407   5.030  -8.873
  520    H    ASN  62           HN       ASN  62 -10.887  10.533  -4.974
  521    HA   ASN  62           HA       ASN  62 -11.838  12.248  -3.858
  522   1HB   ASN  62          HB2       ASN  62 -12.584  12.882  -6.140
  523   2HB   ASN  62          HB1       ASN  62 -14.077  11.986  -5.879
  524   1HD2  ASN  62          HD21      ASN  62 -12.415  13.920  -3.451
  525   2HD2  ASN  62          HD22      ASN  62 -13.660  15.120  -3.297
  526    H    THR  63           HN       THR  63 -12.087  10.908  -2.032
  527    HA   THR  63           HA       THR  63 -14.884  10.362  -1.340
  528    HB   THR  63           HB       THR  63 -14.153   8.227  -0.238
  529    HG1  THR  63           HG1      THR  63 -11.930   8.022  -1.892
  530   1HG2  THR  63          HG21      THR  63 -15.288   8.202  -2.414
  531   2HG2  THR  63          HG22      THR  63 -14.104   6.900  -2.289
  532   3HG2  THR  63          HG23      THR  63 -13.726   8.348  -3.223
  533    H    GLY  64           HN       GLY  64 -11.568  10.229  -0.089
  534   1HA   GLY  64          HA2       GLY  64 -11.114  11.886   1.766
  535   2HA   GLY  64          HA1       GLY  64 -12.568  11.216   2.499
  536    H    VAL  65           HN       VAL  65 -11.471   8.634   1.048
  537    HA   VAL  65           HA       VAL  65 -10.207   7.577   3.407
  538    HB   VAL  65           HB       VAL  65 -10.753   6.297   0.720
  539   1HG1  VAL  65          HG11      VAL  65 -10.286   4.165   1.821
  540   2HG1  VAL  65          HG12      VAL  65  -9.829   5.023   3.293
  541   3HG1  VAL  65          HG13      VAL  65  -8.868   5.213   1.827
  542   1HG2  VAL  65          HG21      VAL  65 -12.158   6.028   3.372
  543   2HG2  VAL  65          HG22      VAL  65 -12.540   5.123   1.908
  544   3HG2  VAL  65          HG23      VAL  65 -12.775   6.873   1.950
  545    H    ASP  66           HN       ASP  66  -8.130   7.320   3.771
  546    HA   ASP  66           HA       ASP  66  -6.213   7.969   1.646
  547   1HB   ASP  66          HB2       ASP  66  -5.807   7.807   4.648
  548   2HB   ASP  66          HB1       ASP  66  -4.580   8.268   3.474
  549    H    ILE  67           HN       ILE  67  -5.397   6.256   0.631
  550    HA   ILE  67           HA       ILE  67  -5.568   3.624   1.811
  551    HB   ILE  67           HB       ILE  67  -4.313   4.469  -0.811
  552   1HG1  ILE  67          HG12      ILE  67  -6.699   4.964  -0.777
  553   2HG1  ILE  67          HG11      ILE  67  -6.400   3.570  -1.812
  554   1HG2  ILE  67          HG21      ILE  67  -3.436   2.342   0.002
  555   2HG2  ILE  67          HG22      ILE  67  -4.466   2.099  -1.408
  556   3HG2  ILE  67          HG23      ILE  67  -5.079   1.733   0.204
  557   1HD1  ILE  67          HD11      ILE  67  -8.389   3.252  -0.458
  558   2HD1  ILE  67          HD12      ILE  67  -7.442   3.484   1.014
  559   3HD1  ILE  67          HD13      ILE  67  -7.142   2.085  -0.018
  560    H    ILE  68           HN       ILE  68  -4.115   2.872   3.164
  561    HA   ILE  68           HA       ILE  68  -1.391   3.994   3.052
  562    HB   ILE  68           HB       ILE  68  -1.288   3.618   5.514
  563   1HG1  ILE  68          HG12      ILE  68  -4.264   3.165   5.203
  564   2HG1  ILE  68          HG11      ILE  68  -3.081   1.965   5.717
  565   1HG2  ILE  68          HG21      ILE  68  -3.442   5.498   4.558
  566   2HG2  ILE  68          HG22      ILE  68  -1.709   5.831   4.587
  567   3HG2  ILE  68          HG23      ILE  68  -2.590   5.604   6.098
  568   1HD1  ILE  68          HD11      ILE  68  -2.633   3.237   7.726
  569   2HD1  ILE  68          HD12      ILE  68  -4.357   2.883   7.589
  570   3HD1  ILE  68          HD13      ILE  68  -3.750   4.494   7.196
  571    H    CYS  69           HN       CYS  69   0.311   2.664   3.208
  572    HA   CYS  69           HA       CYS  69  -0.206  -0.210   3.145
  573   1HB   CYS  69          HB2       CYS  69   2.544   0.952   2.992
  574   2HB   CYS  69          HB1       CYS  69   1.872  -0.449   2.167
  575    HG   CYS  69           HG       CYS  69   2.069   2.712   1.168
  576    H    THR  70           HN       THR  70   0.781  -1.650   4.661
  577    HA   THR  70           HA       THR  70   1.414  -0.270   7.186
  578    HB   THR  70           HB       THR  70  -0.839  -1.240   7.220
  579    HG1  THR  70           HG1      THR  70   1.168  -2.027   8.933
  580   1HG2  THR  70          HG21      THR  70   0.533  -3.881   6.702
  581   2HG2  THR  70          HG22      THR  70  -0.547  -3.030   5.595
  582   3HG2  THR  70          HG23      THR  70  -1.170  -3.677   7.114
  583    H    LYS  71           HN       LYS  71   2.986  -1.870   4.932
  584    HA   LYS  71           HA       LYS  71   4.476  -3.635   6.733
  585   1HB   LYS  71          HB2       LYS  71   4.601  -3.206   3.754
  586   2HB   LYS  71          HB1       LYS  71   5.814  -4.127   4.621
  587   1HG   LYS  71          HG2       LYS  71   2.891  -4.806   4.702
  588   2HG   LYS  71          HG1       LYS  71   4.005  -5.463   3.502
  589   1HD   LYS  71          HD2       LYS  71   5.418  -6.258   5.445
  590   2HD   LYS  71          HD1       LYS  71   4.060  -5.836   6.490
  591   1HE   LYS  71          HE2       LYS  71   2.619  -7.346   5.206
  592   2HE   LYS  71          HE1       LYS  71   3.987  -7.770   4.181
  593   1HZ   LYS  71          HZ1       LYS  71   3.807  -8.268   7.106
  594   2HZ   LYS  71          HZ2       LYS  71   5.105  -8.705   6.103
  595   3HZ   LYS  71          HZ3       LYS  71   3.592  -9.433   5.896
  596    H    ASN  72           HN       ASN  72   6.765  -3.416   6.948
  597    HA   ASN  72           HA       ASN  72   7.668  -0.640   6.562
  598   1HB   ASN  72          HB2       ASN  72   8.684  -2.755   8.479
  599   2HB   ASN  72          HB1       ASN  72   9.406  -1.165   8.280
  600   1HD2  ASN  72          HD21      ASN  72   5.964  -1.963   8.358
  601   2HD2  ASN  72          HD22      ASN  72   5.608  -1.086   9.804
  602    H    LEU  73           HN       LEU  73   8.681  -0.499   4.664
  603    HA   LEU  73           HA       LEU  73  10.213  -2.772   3.681
  604   1HB   LEU  73          HB2       LEU  73   9.342  -0.159   2.511
  605   2HB   LEU  73          HB1       LEU  73  10.644  -1.054   1.757
  606    HG   LEU  73           HG       LEU  73   9.108  -2.994   1.492
  607   1HD1  LEU  73          HD11      LEU  73   6.703  -2.646   1.751
  608   2HD1  LEU  73          HD12      LEU  73   7.007  -1.054   2.445
  609   3HD1  LEU  73          HD13      LEU  73   7.544  -2.503   3.293
  610   1HD2  LEU  73          HD21      LEU  73   9.479  -1.457  -0.343
  611   2HD2  LEU  73          HD22      LEU  73   8.208  -0.396   0.261
  612   3HD2  LEU  73          HD23      LEU  73   7.803  -2.004  -0.336
  613    HA   PRO  74           HA       PRO  74  14.052  -1.209   5.274
  614   1HB   PRO  74          HB2       PRO  74  15.702  -2.838   3.847
  615   2HB   PRO  74          HB1       PRO  74  14.814  -3.371   5.278
  616   1HG   PRO  74          HG2       PRO  74  14.181  -3.792   2.388
  617   2HG   PRO  74          HG1       PRO  74  14.015  -4.915   3.751
  618   1HD   PRO  74          HD2       PRO  74  11.917  -3.552   2.688
  619   2HD   PRO  74          HD1       PRO  74  11.995  -4.033   4.392
  620    H    LYS  75           HN       LYS  75  14.395   0.811   4.536
  621    HA   LYS  75           HA       LYS  75  14.698   1.477   1.790
  622   1HB   LYS  75          HB2       LYS  75  13.822   3.077   3.418
  623   2HB   LYS  75          HB1       LYS  75  15.348   3.048   4.284
  624   1HG   LYS  75          HG2       LYS  75  15.246   5.057   3.016
  625   2HG   LYS  75          HG1       LYS  75  16.448   4.005   2.272
  626   1HD   LYS  75          HD2       LYS  75  13.706   3.764   1.216
  627   2HD   LYS  75          HD1       LYS  75  14.510   5.303   0.906
  628   1HE   LYS  75          HE2       LYS  75  15.651   2.589   0.256
  629   2HE   LYS  75          HE1       LYS  75  14.836   3.640  -0.900
  630   1HZ   LYS  75          HZ1       LYS  75  16.555   5.325  -0.458
  631   2HZ   LYS  75          HZ2       LYS  75  17.198   3.895  -1.101
  632   3HZ   LYS  75          HZ3       LYS  75  17.362   4.230   0.556
  633    H    ASP  76           HN       ASP  76  17.045   2.124   4.335
  634    HA   ASP  76           HA       ASP  76  19.143   0.979   2.618
  635   1HB   ASP  76          HB2       ASP  76  19.207   3.680   3.971
  636   2HB   ASP  76          HB1       ASP  76  20.642   2.884   3.336
  637    H    SER  77           HN       SER  77  17.628   0.754   5.442
  638    HA   SER  77           HA       SER  77  18.004  -0.069   7.492
  639   1HB   SER  77          HB2       SER  77  19.704  -1.837   7.742
  640   2HB   SER  77          HB1       SER  77  18.723  -2.044   6.297
  641    HG   SER  77           HG       SER  77  20.609  -0.795   5.288
  642    H    LEU  78           HN       LEU  78  21.445   0.096   6.824
  643    HA   LEU  78           HA       LEU  78  21.693   2.421   8.575
  644   1HB   LEU  78          HB2       LEU  78  23.091  -0.220   8.991
  645   2HB   LEU  78          HB1       LEU  78  23.653   1.280   9.703
  646    HG   LEU  78           HG       LEU  78  20.944   0.050  10.229
  647   1HD1  LEU  78          HD11      LEU  78  22.746  -1.332  11.126
  648   2HD1  LEU  78          HD12      LEU  78  21.856  -0.528  12.419
  649   3HD1  LEU  78          HD13      LEU  78  23.436   0.080  11.927
  650   1HD2  LEU  78          HD21      LEU  78  22.391   2.356  11.530
  651   2HD2  LEU  78          HD22      LEU  78  20.841   1.692  12.045
  652   3HD2  LEU  78          HD23      LEU  78  20.984   2.479  10.473
  653    H    GLU  79           HN       GLU  79  23.454   3.704   8.147
  654    HA   GLU  79           HA       GLU  79  25.294   2.784   6.043
  655   1HB   GLU  79          HB2       GLU  79  23.683   4.575   5.290
  656   2HB   GLU  79          HB1       GLU  79  24.416   5.647   6.474
  657   1HG   GLU  79          HG2       GLU  79  26.519   5.566   5.341
  658   2HG   GLU  79          HG1       GLU  79  25.934   4.311   4.252
  659    H    HIS  80           HN       HIS  80  27.494   3.504   6.295
  660    HA   HIS  80           HA       HIS  80  28.346   3.010   8.900
  661   1HB   HIS  80          HB2       HIS  80  29.562   2.881   6.540
  662   2HB   HIS  80          HB1       HIS  80  30.198   4.440   7.058
  663    HD1  HIS  80           HD1      HIS  80  31.411   1.294   6.870
  664    HD2  HIS  80           HD2      HIS  80  30.942   3.829  10.135
  665    HE1  HIS  80           HE1      HIS  80  33.038   0.473   8.609
  666    HE2  HIS  80           HE2      HIS  80  32.806   2.075  10.543
  667    H    HIS  81           HN       HIS  81  29.116   6.032   7.164
  668    HA   HIS  81           HA       HIS  81  29.469   8.154   7.865
  669   1HB   HIS  81          HB2       HIS  81  27.533   7.378  10.056
  670   2HB   HIS  81          HB1       HIS  81  28.135   9.014   9.815
  671    HD1  HIS  81           HD1      HIS  81  25.242   8.944   9.640
  672    HD2  HIS  81           HD2      HIS  81  27.594   7.935   6.362
  673    HE1  HIS  81           HE1      HIS  81  23.754   9.206   7.627
  674    HE2  HIS  81           HE2      HIS  81  25.146   8.399   5.681
  675    H    HIS  82           HN       HIS  82  29.141   6.617  11.047
  676    HA   HIS  82           HA       HIS  82  31.933   6.415  11.533
  677   1HB   HIS  82          HB2       HIS  82  31.650   8.894  11.763
  678   2HB   HIS  82          HB1       HIS  82  30.495   8.607  13.058
  679    HD1  HIS  82           HD1      HIS  82  31.454   8.557  15.361
  680    HD2  HIS  82           HD2      HIS  82  34.329   7.835  12.438
  681    HE1  HIS  82           HE1      HIS  82  33.653   8.436  16.581
  682    HE2  HIS  82           HE2      HIS  82  35.362   7.873  14.814
  683    H    HIS  83           HN       HIS  83  29.247   7.342  13.650
  684    HA   HIS  83           HA       HIS  83  28.518   4.711  14.390
  685   1HB   HIS  83          HB2       HIS  83  30.778   5.003  15.563
  686   2HB   HIS  83          HB1       HIS  83  29.996   6.229  16.553
  687    HD1  HIS  83           HD1      HIS  83  28.775   5.430  18.577
  688    HD2  HIS  83           HD2      HIS  83  29.628   2.351  15.911
  689    HE1  HIS  83           HE1      HIS  83  28.110   3.305  19.755
  690    HE2  HIS  83           HE2      HIS  83  28.484   1.471  18.063
  691    H    HIS  84           HN       HIS  84  26.586   4.759  15.566
  692    HA   HIS  84           HA       HIS  84  25.103   7.157  15.360
  693   1HB   HIS  84          HB2       HIS  84  24.120   4.865  15.282
  694   2HB   HIS  84          HB1       HIS  84  24.413   4.719  17.012
  695    HD1  HIS  84           HD1      HIS  84  22.700   5.744  18.573
  696    HD2  HIS  84           HD2      HIS  84  22.121   6.811  14.591
  697    HE1  HIS  84           HE1      HIS  84  20.479   6.924  18.500
  698    HE2  HIS  84           HE2      HIS  84  20.096   7.463  16.062
  699    H    HIS  85           HN       HIS  85  25.383   8.878  16.569
  700    HA   HIS  85           HA       HIS  85  25.955   8.546  19.433
  701   1HB   HIS  85          HB2       HIS  85  27.716   9.747  18.195
  702   2HB   HIS  85          HB1       HIS  85  26.526  10.903  17.615
  703    HD1  HIS  85           HD1      HIS  85  26.481  13.007  18.888
  704    HD2  HIS  85           HD2      HIS  85  27.820   9.831  21.210
  705    HE1  HIS  85           HE1      HIS  85  27.088  14.003  21.110
  706    HE2  HIS  85           HE2      HIS  85  28.159  12.112  22.384
  Start of MODEL    9
    1   1H    MET   1          HT1       MET   1 -26.076  -3.254   1.245
    2   2H    MET   1          HT2       MET   1 -25.692  -1.945   2.251
    3   3H    MET   1          HT3       MET   1 -25.696  -3.519   2.877
    4    HA   MET   1           HA       MET   1 -23.855  -4.127   1.451
    5   1HB   MET   1          HB2       MET   1 -23.806  -1.179   0.758
    6   2HB   MET   1          HB1       MET   1 -22.649  -2.389   0.225
    7   1HG   MET   1          HG2       MET   1 -25.562  -2.256  -0.509
    8   2HG   MET   1          HG1       MET   1 -24.199  -1.850  -1.549
    9   1HE   MET   1          HE1       MET   1 -22.089  -4.064  -1.017
   10   2HE   MET   1          HE2       MET   1 -22.580  -3.622  -2.652
   11   3HE   MET   1          HE3       MET   1 -22.536  -5.318  -2.174
   12    H    HIS   2           HN       HIS   2 -22.237  -4.454   2.820
   13    HA   HIS   2           HA       HIS   2 -22.049  -2.878   5.223
   14   1HB   HIS   2          HB2       HIS   2 -20.387  -5.200   4.223
   15   2HB   HIS   2          HB1       HIS   2 -20.188  -4.451   5.801
   16    HD1  HIS   2           HD1      HIS   2 -21.491  -5.494   7.648
   17    HD2  HIS   2           HD2      HIS   2 -23.083  -6.378   3.907
   18    HE1  HIS   2           HE1      HIS   2 -23.351  -7.136   8.067
   19    HE2  HIS   2           HE2      HIS   2 -24.182  -7.782   5.779
   20    H    LYS   3           HN       LYS   3 -20.024  -1.971   6.015
   21    HA   LYS   3           HA       LYS   3 -18.176  -1.152   3.874
   22   1HB   LYS   3          HB2       LYS   3 -18.990   0.509   6.271
   23   2HB   LYS   3          HB1       LYS   3 -17.823   0.977   5.043
   24   1HG   LYS   3          HG2       LYS   3 -19.738   0.722   3.376
   25   2HG   LYS   3          HG1       LYS   3 -20.795   0.688   4.785
   26   1HD   LYS   3          HD2       LYS   3 -19.885   2.862   5.492
   27   2HD   LYS   3          HD1       LYS   3 -18.882   2.894   4.041
   28   1HE   LYS   3          HE2       LYS   3 -20.795   4.221   3.583
   29   2HE   LYS   3          HE1       LYS   3 -20.990   2.709   2.696
   30   1HZ   LYS   3          HZ1       LYS   3 -22.376   1.946   4.646
   31   2HZ   LYS   3          HZ2       LYS   3 -23.051   3.161   3.678
   32   3HZ   LYS   3          HZ3       LYS   3 -22.367   3.561   5.180
   33    H    ASP   4           HN       ASP   4 -16.181  -1.860   4.195
   34    HA   ASP   4           HA       ASP   4 -15.346  -2.487   6.941
   35   1HB   ASP   4          HB2       ASP   4 -16.269  -4.534   5.829
   36   2HB   ASP   4          HB1       ASP   4 -15.007  -4.388   4.612
   37    H    ILE   5           HN       ILE   5 -13.060  -2.679   7.213
   38    HA   ILE   5           HA       ILE   5 -11.522  -0.798   5.799
   39    HB   ILE   5           HB       ILE   5 -10.611  -3.044   7.608
   40   1HG1  ILE   5          HG12      ILE   5 -12.135  -1.453   8.700
   41   2HG1  ILE   5          HG11      ILE   5 -10.504  -1.320   9.347
   42   1HG2  ILE   5          HG21      ILE   5  -8.787  -2.268   6.196
   43   2HG2  ILE   5          HG22      ILE   5  -8.540  -1.764   7.868
   44   3HG2  ILE   5          HG23      ILE   5  -9.113  -0.601   6.674
   45   1HD1  ILE   5          HD11      ILE   5 -11.510   0.865   9.051
   46   2HD1  ILE   5          HD12      ILE   5 -11.767   0.532   7.338
   47   3HD1  ILE   5          HD13      ILE   5 -10.127   0.666   7.974
   48    H    PHE   6           HN       PHE   6 -10.934  -1.019   3.761
   49    HA   PHE   6           HA       PHE   6 -10.759  -3.593   2.504
   50   1HB   PHE   6          HB2       PHE   6 -11.624  -1.613   1.315
   51   2HB   PHE   6          HB1       PHE   6 -10.039  -0.858   1.433
   52    HD1  PHE   6           HD1      PHE   6 -11.766  -3.853   0.072
   53    HD2  PHE   6           HD2      PHE   6  -8.470  -1.178  -0.250
   54    HE1  PHE   6           HE1      PHE   6 -11.130  -4.898  -2.063
   55    HE2  PHE   6           HE2      PHE   6  -7.829  -2.219  -2.384
   56    HZ   PHE   6           HZ       PHE   6  -9.159  -4.081  -3.292
   57    H    THR   7           HN       THR   7  -9.084  -4.837   3.038
   58    HA   THR   7           HA       THR   7  -6.403  -3.634   2.893
   59    HB   THR   7           HB       THR   7  -5.596  -5.624   4.130
   60    HG1  THR   7           HG1      THR   7  -8.156  -6.483   3.655
   61   1HG2  THR   7          HG21      THR   7  -7.838  -4.144   5.507
   62   2HG2  THR   7          HG22      THR   7  -6.169  -3.597   5.362
   63   3HG2  THR   7          HG23      THR   7  -6.545  -5.034   6.312
   64    H    SER   8           HN       SER   8  -4.986  -4.373   1.373
   65    HA   SER   8           HA       SER   8  -5.531  -6.800  -0.109
   66   1HB   SER   8          HB2       SER   8  -6.976  -5.009  -1.169
   67   2HB   SER   8          HB1       SER   8  -5.492  -4.157  -1.590
   68    HG   SER   8           HG       SER   8  -6.693  -6.139  -2.903
   69    H    VAL   9           HN       VAL   9  -3.872  -6.364  -2.268
   70    HA   VAL   9           HA       VAL   9  -1.318  -5.567  -1.043
   71    HB   VAL   9           HB       VAL   9  -1.406  -8.011  -1.155
   72   1HG1  VAL   9          HG11      VAL   9  -2.979  -8.286  -2.988
   73   2HG1  VAL   9          HG12      VAL   9  -1.494  -9.182  -3.306
   74   3HG1  VAL   9          HG13      VAL   9  -1.790  -7.648  -4.123
   75   1HG2  VAL   9          HG21      VAL   9   0.654  -8.394  -2.439
   76   2HG2  VAL   9          HG22      VAL   9   0.747  -6.938  -1.445
   77   3HG2  VAL   9          HG23      VAL   9   0.472  -6.806  -3.182
   78    H    VAL  10           HN       VAL  10  -0.109  -4.191  -2.221
   79    HA   VAL  10           HA       VAL  10  -1.018  -3.648  -4.973
   80    HB   VAL  10           HB       VAL  10  -1.363  -1.778  -3.342
   81   1HG1  VAL  10          HG11      VAL  10   1.649  -1.738  -3.274
   82   2HG1  VAL  10          HG12      VAL  10   0.565  -2.079  -1.926
   83   3HG1  VAL  10          HG13      VAL  10   0.601  -0.468  -2.643
   84   1HG2  VAL  10          HG21      VAL  10  -1.191  -1.331  -5.722
   85   2HG2  VAL  10          HG22      VAL  10   0.565  -1.227  -5.593
   86   3HG2  VAL  10          HG23      VAL  10  -0.450  -0.029  -4.791
   87    H    ARG  11           HN       ARG  11   0.555  -3.279  -6.566
   88    HA   ARG  11           HA       ARG  11   3.092  -4.571  -6.014
   89   1HB   ARG  11          HB2       ARG  11   1.957  -3.546  -8.626
   90   2HB   ARG  11          HB1       ARG  11   3.434  -4.488  -8.448
   91   1HG   ARG  11          HG2       ARG  11   2.003  -6.278  -7.372
   92   2HG   ARG  11          HG1       ARG  11   0.607  -5.365  -7.947
   93   1HD   ARG  11          HD2       ARG  11   2.822  -6.435  -9.684
   94   2HD   ARG  11          HD1       ARG  11   1.259  -7.207  -9.453
   95    HE   ARG  11           HE       ARG  11   1.827  -4.811 -11.009
   96   1HH1  ARG  11          HH11      ARG  11  -0.583  -6.977  -9.669
   97   2HH1  ARG  11          HH12      ARG  11  -1.793  -6.558 -10.837
   98   1HH2  ARG  11          HH21      ARG  11   0.237  -4.273 -12.551
   99   2HH2  ARG  11          HH22      ARG  11  -1.335  -5.025 -12.475
  100    H    VAL  12           HN       VAL  12   4.784  -3.474  -5.418
  101    HA   VAL  12           HA       VAL  12   4.522  -0.600  -5.223
  102    HB   VAL  12           HB       VAL  12   6.811  -2.276  -4.203
  103   1HG1  VAL  12          HG11      VAL  12   6.946  -0.535  -2.488
  104   2HG1  VAL  12          HG12      VAL  12   5.612   0.318  -3.263
  105   3HG1  VAL  12          HG13      VAL  12   7.146   0.125  -4.112
  106   1HG2  VAL  12          HG21      VAL  12   4.738  -3.307  -3.452
  107   2HG2  VAL  12          HG22      VAL  12   4.179  -1.753  -2.835
  108   3HG2  VAL  12          HG23      VAL  12   5.582  -2.537  -2.109
  109    H    ARG  13           HN       ARG  13   5.785   0.899  -6.166
  110    HA   ARG  13           HA       ARG  13   7.643  -0.023  -8.257
  111   1HB   ARG  13          HB2       ARG  13   5.592   1.458  -8.765
  112   2HB   ARG  13          HB1       ARG  13   6.482   2.747  -7.974
  113   1HG   ARG  13          HG2       ARG  13   6.865   3.031 -10.262
  114   2HG   ARG  13          HG1       ARG  13   8.339   2.288  -9.636
  115   1HD   ARG  13          HD2       ARG  13   7.612   0.116 -10.429
  116   2HD   ARG  13          HD1       ARG  13   6.083   0.798 -10.965
  117    HE   ARG  13           HE       ARG  13   7.307   2.055 -12.642
  118   1HH1  ARG  13          HH11      ARG  13   9.074  -0.517 -11.050
  119   2HH1  ARG  13          HH12      ARG  13  10.147  -0.797 -12.389
  120   1HH2  ARG  13          HH21      ARG  13   8.723   1.725 -14.405
  121   2HH2  ARG  13          HH22      ARG  13   9.923   0.465 -14.313
  122    H    GLY  14           HN       GLY  14   9.790   0.579  -8.154
  123   1HA   GLY  14          HA2       GLY  14  11.291   2.502  -7.595
  124   2HA   GLY  14          HA1       GLY  14  10.518   2.493  -6.015
  125    H    SER  15           HN       SER  15  13.021   2.370  -5.661
  126    HA   SER  15           HA       SER  15  14.142  -0.266  -5.992
  127   1HB   SER  15          HB2       SER  15  15.507   1.831  -6.180
  128   2HB   SER  15          HB1       SER  15  15.285   2.076  -4.448
  129    HG   SER  15           HG       SER  15  16.386  -0.290  -5.559
  130    H    LYS  16           HN       LYS  16  13.517  -1.848  -4.715
  131    HA   LYS  16           HA       LYS  16  13.786  -1.684  -1.884
  132   1HB   LYS  16          HB2       LYS  16  11.314  -2.473  -1.559
  133   2HB   LYS  16          HB1       LYS  16  11.681  -0.759  -1.664
  134   1HG   LYS  16          HG2       LYS  16   9.711  -1.232  -2.946
  135   2HG   LYS  16          HG1       LYS  16  11.021  -0.791  -4.042
  136   1HD   LYS  16          HD2       LYS  16  11.335  -3.046  -4.704
  137   2HD   LYS  16          HD1       LYS  16  10.290  -3.646  -3.416
  138   1HE   LYS  16          HE2       LYS  16   9.001  -3.765  -5.372
  139   2HE   LYS  16          HE1       LYS  16   8.430  -2.329  -4.525
  140   1HZ   LYS  16          HZ1       LYS  16   8.663  -1.739  -6.772
  141   2HZ   LYS  16          HZ2       LYS  16  10.188  -2.464  -6.903
  142   3HZ   LYS  16          HZ3       LYS  16  10.002  -1.049  -5.991
  143    H    LYS  17           HN       LYS  17  13.066  -3.851  -0.861
  144    HA   LYS  17           HA       LYS  17  14.018  -5.925  -2.688
  145   1HB   LYS  17          HB2       LYS  17  15.101  -5.514  -0.429
  146   2HB   LYS  17          HB1       LYS  17  13.643  -6.174   0.297
  147   1HG   LYS  17          HG2       LYS  17  14.021  -8.308  -0.708
  148   2HG   LYS  17          HG1       LYS  17  15.351  -7.674  -1.676
  149   1HD   LYS  17          HD2       LYS  17  16.591  -7.198   0.415
  150   2HD   LYS  17          HD1       LYS  17  15.279  -7.947   1.328
  151   1HE   LYS  17          HE2       LYS  17  15.666 -10.060   0.181
  152   2HE   LYS  17          HE1       LYS  17  16.936  -9.316  -0.789
  153   1HZ   LYS  17          HZ1       LYS  17  17.791 -10.618   1.102
  154   2HZ   LYS  17          HZ2       LYS  17  17.009  -9.560   2.173
  155   3HZ   LYS  17          HZ3       LYS  17  18.253  -8.988   1.178
  156    H    TYR  18           HN       TYR  18  11.147  -4.906  -1.109
  157    HA   TYR  18           HA       TYR  18   9.832  -7.463  -1.736
  158   1HB   TYR  18          HB2       TYR  18   8.893  -5.211   0.057
  159   2HB   TYR  18          HB1       TYR  18   8.008  -6.700  -0.254
  160    HD1  TYR  18           HD2      TYR  18   9.245  -8.911   0.370
  161    HD2  TYR  18           HD1      TYR  18  10.314  -5.081   1.877
  162    HE1  TYR  18           HE2      TYR  18  10.383  -9.982   2.271
  163    HE2  TYR  18           HE1      TYR  18  11.454  -6.138   3.779
  164    HH   TYR  18           HH       TYR  18  12.196  -9.428   3.896
  165    H    ASN  19           HN       ASN  19   8.868  -7.454  -3.656
  166    HA   ASN  19           HA       ASN  19   8.399  -4.991  -5.043
  167   1HB   ASN  19          HB2       ASN  19   8.035  -7.881  -5.784
  168   2HB   ASN  19          HB1       ASN  19   7.484  -6.584  -6.841
  169   1HD2  ASN  19          HD21      ASN  19   9.565  -8.589  -7.258
  170   2HD2  ASN  19          HD22      ASN  19  11.010  -7.704  -7.589
  171    H    VAL  20           HN       VAL  20   6.469  -7.037  -3.097
  172    HA   VAL  20           HA       VAL  20   4.123  -5.428  -3.824
  173    HB   VAL  20           HB       VAL  20   2.673  -7.418  -3.330
  174   1HG1  VAL  20          HG11      VAL  20   3.085  -6.706  -5.619
  175   2HG1  VAL  20          HG12      VAL  20   2.987  -8.464  -5.527
  176   3HG1  VAL  20          HG13      VAL  20   4.559  -7.676  -5.670
  177   1HG2  VAL  20          HG21      VAL  20   3.691  -9.655  -3.533
  178   2HG2  VAL  20          HG22      VAL  20   4.243  -8.787  -2.101
  179   3HG2  VAL  20          HG23      VAL  20   5.290  -8.910  -3.517
  180    H    VAL  21           HN       VAL  21   2.914  -4.690  -2.126
  181    HA   VAL  21           HA       VAL  21   3.629  -5.658   0.553
  182    HB   VAL  21           HB       VAL  21   4.879  -3.535  -0.092
  183   1HG1  VAL  21          HG11      VAL  21   3.681  -1.420   0.094
  184   2HG1  VAL  21          HG12      VAL  21   2.156  -2.292   0.258
  185   3HG1  VAL  21          HG13      VAL  21   3.070  -2.388  -1.248
  186   1HG2  VAL  21          HG21      VAL  21   4.663  -4.280   2.207
  187   2HG2  VAL  21          HG22      VAL  21   3.111  -3.453   2.343
  188   3HG2  VAL  21          HG23      VAL  21   4.590  -2.523   2.105
  189    HA   PRO  22           HA       PRO  22  -0.803  -5.556   1.077
  190   1HB   PRO  22          HB2       PRO  22  -0.890  -5.861   3.772
  191   2HB   PRO  22          HB1       PRO  22  -0.539  -7.190   2.662
  192   1HG   PRO  22          HG2       PRO  22   1.335  -5.551   4.310
  193   2HG   PRO  22          HG1       PRO  22   1.367  -7.290   3.968
  194   1HD   PRO  22          HD2       PRO  22   2.952  -5.468   2.693
  195   2HD   PRO  22          HD1       PRO  22   2.435  -6.999   1.960
  196    H    VAL  23           HN       VAL  23  -2.156  -3.915   1.184
  197    HA   VAL  23           HA       VAL  23  -1.449  -1.580   2.839
  198    HB   VAL  23           HB       VAL  23  -2.668  -0.182   1.183
  199   1HG1  VAL  23          HG11      VAL  23  -0.362  -1.769   0.060
  200   2HG1  VAL  23          HG12      VAL  23  -0.245  -0.346   1.096
  201   3HG1  VAL  23          HG13      VAL  23  -0.917  -0.201  -0.529
  202   1HG2  VAL  23          HG21      VAL  23  -2.704  -2.720  -0.452
  203   2HG2  VAL  23          HG22      VAL  23  -3.132  -1.117  -1.050
  204   3HG2  VAL  23          HG23      VAL  23  -4.106  -1.878   0.207
  205    H    LYS  24           HN       LYS  24  -3.320  -0.274   3.499
  206    HA   LYS  24           HA       LYS  24  -5.863  -1.700   3.630
  207   1HB   LYS  24          HB2       LYS  24  -6.023  -1.302   6.076
  208   2HB   LYS  24          HB1       LYS  24  -4.726  -2.415   5.655
  209   1HG   LYS  24          HG2       LYS  24  -3.093  -0.628   5.910
  210   2HG   LYS  24          HG1       LYS  24  -4.384   0.508   6.298
  211   1HD   LYS  24          HD2       LYS  24  -3.705  -1.965   7.889
  212   2HD   LYS  24          HD1       LYS  24  -3.207  -0.322   8.300
  213   1HE   LYS  24          HE2       LYS  24  -5.607   0.316   8.402
  214   2HE   LYS  24          HE1       LYS  24  -6.030  -1.376   8.143
  215   1HZ   LYS  24          HZ1       LYS  24  -6.089  -0.816  10.482
  216   2HZ   LYS  24          HZ2       LYS  24  -4.471  -0.303  10.435
  217   3HZ   LYS  24          HZ3       LYS  24  -4.852  -1.937  10.187
  218    H    SER  25           HN       SER  25  -7.550  -0.235   4.677
  219    HA   SER  25           HA       SER  25  -7.048   2.550   3.880
  220   1HB   SER  25          HB2       SER  25  -9.524   2.717   3.721
  221   2HB   SER  25          HB1       SER  25  -8.857   1.496   2.638
  222    HG   SER  25           HG       SER  25 -10.477   1.213   4.871
  223    H    ASN  26           HN       ASN  26  -6.974   4.078   5.440
  224    HA   ASN  26           HA       ASN  26  -7.401   3.308   8.175
  225   1HB   ASN  26          HB2       ASN  26  -6.939   5.766   8.656
  226   2HB   ASN  26          HB1       ASN  26  -5.646   4.850   7.895
  227   1HD2  ASN  26          HD21      ASN  26  -8.013   7.367   7.488
  228   2HD2  ASN  26          HD22      ASN  26  -7.360   8.001   6.006
  229    H    LYS  27           HN       LYS  27  -9.524   4.101   5.818
  230    HA   LYS  27           HA       LYS  27 -11.554   4.651   7.864
  231   1HB   LYS  27          HB2       LYS  27 -11.563   5.851   5.081
  232   2HB   LYS  27          HB1       LYS  27 -12.815   6.054   6.297
  233   1HG   LYS  27          HG2       LYS  27 -10.965   7.081   7.744
  234   2HG   LYS  27          HG1       LYS  27 -10.044   7.186   6.243
  235   1HD   LYS  27          HD2       LYS  27 -12.718   8.455   6.828
  236   2HD   LYS  27          HD1       LYS  27 -11.172   9.281   6.632
  237   1HE   LYS  27          HE2       LYS  27 -11.083   8.448   4.297
  238   2HE   LYS  27          HE1       LYS  27 -12.692   7.761   4.515
  239   1HZ   LYS  27          HZ1       LYS  27 -13.465  10.049   5.062
  240   2HZ   LYS  27          HZ2       LYS  27 -12.930   9.864   3.465
  241   3HZ   LYS  27          HZ3       LYS  27 -11.934  10.630   4.607
  242    HA   PRO  28           HA       PRO  28 -13.359   0.941   6.284
  243   1HB   PRO  28          HB2       PRO  28 -16.024   1.522   6.715
  244   2HB   PRO  28          HB1       PRO  28 -14.915   0.920   7.950
  245   1HG   PRO  28          HG2       PRO  28 -15.811   3.720   7.408
  246   2HG   PRO  28          HG1       PRO  28 -15.556   2.904   8.962
  247   1HD   PRO  28          HD2       PRO  28 -13.765   4.641   7.962
  248   2HD   PRO  28          HD1       PRO  28 -13.261   3.210   8.883
  249    H    VAL  29           HN       VAL  29 -13.992   0.214   4.365
  250    HA   VAL  29           HA       VAL  29 -14.776   2.216   2.367
  251    HB   VAL  29           HB       VAL  29 -13.538  -0.501   1.909
  252   1HG1  VAL  29          HG11      VAL  29 -13.900   1.861   0.068
  253   2HG1  VAL  29          HG12      VAL  29 -14.791   0.340   0.004
  254   3HG1  VAL  29          HG13      VAL  29 -13.061   0.362  -0.332
  255   1HG2  VAL  29          HG21      VAL  29 -11.447   0.717   1.486
  256   2HG2  VAL  29          HG22      VAL  29 -11.999   0.887   3.155
  257   3HG2  VAL  29          HG23      VAL  29 -12.227   2.211   2.006
  258    H    GLU  30           HN       GLU  30 -16.694   2.079   1.420
  259    HA   GLU  30           HA       GLU  30 -18.649   0.174   2.048
  260   1HB   GLU  30          HB2       GLU  30 -18.927   2.498   1.007
  261   2HB   GLU  30          HB1       GLU  30 -18.524   1.742  -0.528
  262   1HG   GLU  30          HG2       GLU  30 -20.442   0.194  -0.188
  263   2HG   GLU  30          HG1       GLU  30 -20.877   1.142   1.232
  264    H    ILE  31           HN       ILE  31 -18.878  -1.888   1.410
  265    HA   ILE  31           HA       ILE  31 -16.800  -3.155   0.025
  266    HB   ILE  31           HB       ILE  31 -18.244  -4.239   1.725
  267   1HG1  ILE  31          HG12      ILE  31 -18.375  -6.449   0.595
  268   2HG1  ILE  31          HG11      ILE  31 -18.066  -5.652  -0.945
  269   1HG2  ILE  31          HG21      ILE  31 -20.260  -4.300  -0.509
  270   2HG2  ILE  31          HG22      ILE  31 -20.403  -3.449   1.030
  271   3HG2  ILE  31          HG23      ILE  31 -20.391  -5.213   0.994
  272   1HD1  ILE  31          HD11      ILE  31 -15.883  -4.923  -0.123
  273   2HD1  ILE  31          HD12      ILE  31 -16.051  -6.677  -0.074
  274   3HD1  ILE  31          HD13      ILE  31 -16.194  -5.736   1.411
  275    H    SER  32           HN       SER  32 -19.685  -1.682  -1.204
  276    HA   SER  32           HA       SER  32 -19.838  -3.135  -3.644
  277   1HB   SER  32          HB2       SER  32 -20.971  -0.661  -4.143
  278   2HB   SER  32          HB1       SER  32 -21.813  -2.066  -3.481
  279    HG   SER  32           HG       SER  32 -21.201   0.288  -2.283
  280    H    LYS  33           HN       LYS  33 -17.592  -0.906  -2.506
  281    HA   LYS  33           HA       LYS  33 -16.904   0.012  -5.213
  282   1HB   LYS  33          HB2       LYS  33 -16.139   1.070  -2.491
  283   2HB   LYS  33          HB1       LYS  33 -15.477   1.686  -3.997
  284   1HG   LYS  33          HG2       LYS  33 -17.734   2.337  -4.707
  285   2HG   LYS  33          HG1       LYS  33 -18.374   1.751  -3.169
  286   1HD   LYS  33          HD2       LYS  33 -17.140   3.390  -1.946
  287   2HD   LYS  33          HD1       LYS  33 -16.241   3.869  -3.387
  288   1HE   LYS  33          HE2       LYS  33 -17.912   5.521  -2.972
  289   2HE   LYS  33          HE1       LYS  33 -18.391   4.609  -4.398
  290   1HZ   LYS  33          HZ1       LYS  33 -19.743   3.227  -2.686
  291   2HZ   LYS  33          HZ2       LYS  33 -20.331   4.720  -3.220
  292   3HZ   LYS  33          HZ3       LYS  33 -19.583   4.607  -1.708
  293    H    TRP  34           HN       TRP  34 -16.119  -2.497  -3.305
  294    HA   TRP  34           HA       TRP  34 -13.356  -2.312  -2.884
  295   1HB   TRP  34          HB2       TRP  34 -13.413  -4.560  -2.252
  296   2HB   TRP  34          HB1       TRP  34 -15.059  -4.026  -1.946
  297    HD1  TRP  34           HD1      TRP  34 -16.859  -4.688  -4.047
  298    HE1  TRP  34           HE1      TRP  34 -16.969  -6.884  -5.393
  299    HE3  TRP  34           HE3      TRP  34 -12.154  -6.439  -3.094
  300    HZ2  TRP  34           HZ2      TRP  34 -15.274  -9.073  -5.955
  301    HZ3  TRP  34           HZ3      TRP  34 -11.478  -8.596  -4.068
  302    HH2  TRP  34           HH2      TRP  34 -13.005  -9.884  -5.468
  303    H    ILE  35           HN       ILE  35 -15.171  -3.201  -5.718
  304    HA   ILE  35           HA       ILE  35 -12.973  -4.472  -7.055
  305    HB   ILE  35           HB       ILE  35 -15.312  -5.114  -7.488
  306   1HG1  ILE  35          HG12      ILE  35 -13.895  -4.020  -9.927
  307   2HG1  ILE  35          HG11      ILE  35 -13.546  -5.563  -9.157
  308   1HG2  ILE  35          HG21      ILE  35 -15.540  -2.417  -8.806
  309   2HG2  ILE  35          HG22      ILE  35 -16.374  -2.942  -7.345
  310   3HG2  ILE  35          HG23      ILE  35 -16.744  -3.702  -8.893
  311   1HD1  ILE  35          HD11      ILE  35 -16.161  -4.810 -10.437
  312   2HD1  ILE  35          HD12      ILE  35 -15.759  -6.371  -9.719
  313   3HD1  ILE  35          HD13      ILE  35 -14.910  -5.818 -11.163
  314    H    ASP  36           HN       ASP  36 -14.321  -1.275  -6.891
  315    HA   ASP  36           HA       ASP  36 -12.932  -0.309  -9.220
  316   1HB   ASP  36          HB2       ASP  36 -15.129   0.609  -8.166
  317   2HB   ASP  36          HB1       ASP  36 -14.056   1.468  -7.065
  318    H    PHE  37           HN       PHE  37 -12.551  -0.060  -5.705
  319    HA   PHE  37           HA       PHE  37 -10.260   1.520  -5.606
  320   1HB   PHE  37          HB2       PHE  37 -11.382  -0.594  -3.807
  321   2HB   PHE  37          HB1       PHE  37  -9.780   0.052  -3.476
  322    HD1  PHE  37           HD2      PHE  37 -13.356   0.874  -3.702
  323    HD2  PHE  37           HD1      PHE  37  -9.483   2.237  -2.593
  324    HE1  PHE  37           HE2      PHE  37 -14.370   2.782  -2.525
  325    HE2  PHE  37           HE1      PHE  37 -10.489   4.145  -1.411
  326    HZ   PHE  37           HZ       PHE  37 -12.935   4.420  -1.377
  327    H    SER  38           HN       SER  38 -10.518  -2.013  -5.890
  328    HA   SER  38           HA       SER  38  -7.737  -2.494  -5.828
  329   1HB   SER  38          HB2       SER  38  -8.463  -4.723  -6.916
  330   2HB   SER  38          HB1       SER  38  -9.077  -4.345  -5.305
  331    HG   SER  38           HG       SER  38 -11.043  -4.057  -6.093
  332    H    ASN  39           HN       ASN  39 -10.005  -1.916  -8.473
  333    HA   ASN  39           HA       ASN  39  -8.262  -2.425 -10.614
  334   1HB   ASN  39          HB2       ASN  39 -10.797  -0.960 -10.252
  335   2HB   ASN  39          HB1       ASN  39  -9.805  -0.402 -11.596
  336   1HD2  ASN  39          HD21      ASN  39 -11.645  -3.044 -10.287
  337   2HD2  ASN  39          HD22      ASN  39 -11.706  -3.975 -11.747
  338    H    VAL  40           HN       VAL  40  -8.852   0.533  -8.755
  339    HA   VAL  40           HA       VAL  40  -7.125   2.209 -10.222
  340    HB   VAL  40           HB       VAL  40  -7.851   2.407  -7.289
  341   1HG1  VAL  40          HG11      VAL  40  -6.784   4.490  -9.195
  342   2HG1  VAL  40          HG12      VAL  40  -5.915   3.774  -7.837
  343   3HG1  VAL  40          HG13      VAL  40  -7.324   4.792  -7.542
  344   1HG2  VAL  40          HG21      VAL  40  -9.833   2.364  -8.690
  345   2HG2  VAL  40          HG22      VAL  40  -9.156   3.626  -9.718
  346   3HG2  VAL  40          HG23      VAL  40  -9.577   3.985  -8.045
  347    H    LEU  41           HN       LEU  41  -6.574   0.184  -7.364
  348    HA   LEU  41           HA       LEU  41  -3.878   0.954  -6.963
  349   1HB   LEU  41          HB2       LEU  41  -5.323  -1.573  -6.155
  350   2HB   LEU  41          HB1       LEU  41  -3.729  -1.113  -5.587
  351    HG   LEU  41           HG       LEU  41  -6.268   0.447  -5.083
  352   1HD1  LEU  41          HD11      LEU  41  -6.007  -0.319  -2.766
  353   2HD1  LEU  41          HD12      LEU  41  -4.655  -1.336  -3.264
  354   3HD1  LEU  41          HD13      LEU  41  -6.275  -1.661  -3.880
  355   1HD2  LEU  41          HD21      LEU  41  -4.883   1.717  -3.503
  356   2HD2  LEU  41          HD22      LEU  41  -4.306   1.881  -5.162
  357   3HD2  LEU  41          HD23      LEU  41  -3.463   0.816  -4.036
  358    H    SER  42           HN       SER  42  -5.361  -1.212  -9.198
  359    HA   SER  42           HA       SER  42  -2.950  -2.684  -9.769
  360   1HB   SER  42          HB2       SER  42  -5.550  -2.543 -11.311
  361   2HB   SER  42          HB1       SER  42  -4.264  -3.724 -11.555
  362    HG   SER  42           HG       SER  42  -5.787  -3.379  -9.175
  363    H    ARG  43           HN       ARG  43  -4.155   0.342 -10.567
  364    HA   ARG  43           HA       ARG  43  -2.552   0.511 -13.027
  365   1HB   ARG  43          HB2       ARG  43  -4.793   2.204 -11.938
  366   2HB   ARG  43          HB1       ARG  43  -3.757   2.759 -13.245
  367   1HG   ARG  43          HG2       ARG  43  -5.403   0.240 -13.332
  368   2HG   ARG  43          HG1       ARG  43  -5.900   1.794 -14.006
  369   1HD   ARG  43          HD2       ARG  43  -3.602   0.047 -14.858
  370   2HD   ARG  43          HD1       ARG  43  -5.009   0.527 -15.801
  371    HE   ARG  43           HE       ARG  43  -2.577   1.992 -15.464
  372   1HH1  ARG  43          HH11      ARG  43  -6.036   2.390 -15.985
  373   2HH1  ARG  43          HH12      ARG  43  -5.858   3.948 -16.738
  374   1HH2  ARG  43          HH21      ARG  43  -2.365   4.035 -16.472
  375   2HH2  ARG  43          HH22      ARG  43  -3.788   4.863 -17.027
  376    H    LEU  44           HN       LEU  44  -2.804   1.583  -9.758
  377    HA   LEU  44           HA       LEU  44  -1.063   3.857 -10.089
  378   1HB   LEU  44          HB2       LEU  44  -2.915   3.800  -8.432
  379   2HB   LEU  44          HB1       LEU  44  -2.062   2.539  -7.563
  380    HG   LEU  44           HG       LEU  44  -0.189   4.129  -7.176
  381   1HD1  LEU  44          HD11      LEU  44  -0.555   5.603  -9.068
  382   2HD1  LEU  44          HD12      LEU  44  -0.586   6.514  -7.558
  383   3HD1  LEU  44          HD13      LEU  44  -2.094   6.125  -8.386
  384   1HD2  LEU  44          HD21      LEU  44  -1.379   5.481  -5.495
  385   2HD2  LEU  44          HD22      LEU  44  -1.854   3.784  -5.460
  386   3HD2  LEU  44          HD23      LEU  44  -2.915   4.981  -6.205
  387    H    TYR  45           HN       TYR  45   0.911   3.131 -10.797
  388    HA   TYR  45           HA       TYR  45   2.286   1.128  -9.169
  389   1HB   TYR  45          HB2       TYR  45   3.084   2.360 -11.819
  390   2HB   TYR  45          HB1       TYR  45   3.991   1.115 -10.963
  391    HD1  TYR  45           HD2      TYR  45   2.610  -1.040 -10.365
  392    HD2  TYR  45           HD1      TYR  45   1.569   1.706 -13.439
  393    HE1  TYR  45           HE2      TYR  45   1.231  -2.773 -11.437
  394    HE2  TYR  45           HE1      TYR  45   0.187  -0.014 -14.519
  395    HH   TYR  45           HH       TYR  45  -0.937  -2.617 -13.064
  396    H    VAL  46           HN       VAL  46   2.752   2.290  -7.358
  397    HA   VAL  46           HA       VAL  46   4.949   4.198  -7.621
  398    HB   VAL  46           HB       VAL  46   3.978   5.656  -5.853
  399   1HG1  VAL  46          HG11      VAL  46   2.381   6.838  -7.292
  400   2HG1  VAL  46          HG12      VAL  46   2.341   5.444  -8.372
  401   3HG1  VAL  46          HG13      VAL  46   3.837   6.355  -8.163
  402   1HG2  VAL  46          HG21      VAL  46   1.575   5.549  -5.389
  403   2HG2  VAL  46          HG22      VAL  46   2.412   4.089  -4.867
  404   3HG2  VAL  46          HG23      VAL  46   1.460   4.075  -6.350
  405    H    GLY  47           HN       GLY  47   5.844   4.653  -5.329
  406   1HA   GLY  47          HA2       GLY  47   5.342   3.284  -3.056
  407   2HA   GLY  47          HA1       GLY  47   6.199   2.093  -4.024
  408    H    VAL  48           HN       VAL  48   7.327   2.682  -1.750
  409    HA   VAL  48           HA       VAL  48   9.897   3.542  -2.330
  410    HB   VAL  48           HB       VAL  48   8.868   5.795  -2.558
  411   1HG1  VAL  48          HG11      VAL  48   8.138   5.463   0.348
  412   2HG1  VAL  48          HG12      VAL  48   7.019   5.573  -1.010
  413   3HG1  VAL  48          HG13      VAL  48   8.016   6.961  -0.575
  414   1HG2  VAL  48          HG21      VAL  48  10.687   5.516  -0.169
  415   2HG2  VAL  48          HG22      VAL  48  10.400   7.004  -1.072
  416   3HG2  VAL  48          HG23      VAL  48  11.187   5.633  -1.855
  417    HA   PRO  49           HA       PRO  49  10.614   1.335   1.533
  418   1HB   PRO  49          HB2       PRO  49  12.607   3.559   1.810
  419   2HB   PRO  49          HB1       PRO  49  12.803   1.832   2.139
  420   1HG   PRO  49          HG2       PRO  49  13.724   2.912  -0.121
  421   2HG   PRO  49          HG1       PRO  49  13.013   1.290  -0.098
  422   1HD   PRO  49          HD2       PRO  49  11.927   3.805  -1.213
  423   2HD   PRO  49          HD1       PRO  49  11.557   2.125  -1.644
  424    H    THR  50           HN       THR  50   8.948   1.675   2.891
  425    HA   THR  50           HA       THR  50   8.817   4.227   4.335
  426    HB   THR  50           HB       THR  50   6.247   3.711   4.328
  427    HG1  THR  50           HG1      THR  50   6.895   2.635   1.790
  428   1HG2  THR  50          HG21      THR  50   7.660   4.797   1.888
  429   2HG2  THR  50          HG22      THR  50   7.283   5.707   3.351
  430   3HG2  THR  50          HG23      THR  50   5.981   5.100   2.328
  431    H    LYS  51           HN       LYS  51   7.375   4.018   6.325
  432    HA   LYS  51           HA       LYS  51   7.873   1.397   7.577
  433   1HB   LYS  51          HB2       LYS  51   8.364   4.113   8.813
  434   2HB   LYS  51          HB1       LYS  51   8.577   2.564   9.623
  435   1HG   LYS  51          HG2       LYS  51  10.368   1.969   8.149
  436   2HG   LYS  51          HG1       LYS  51  10.078   3.392   7.150
  437   1HD   LYS  51          HD2       LYS  51  10.665   4.823   9.073
  438   2HD   LYS  51          HD1       LYS  51  11.036   3.372  10.009
  439   1HE   LYS  51          HE2       LYS  51  12.785   2.771   8.457
  440   2HE   LYS  51          HE1       LYS  51  12.370   4.127   7.412
  441   1HZ   LYS  51          HZ1       LYS  51  14.278   4.675   8.731
  442   2HZ   LYS  51          HZ2       LYS  51  13.464   4.288  10.167
  443   3HZ   LYS  51          HZ3       LYS  51  12.972   5.625   9.247
  444    H    SER  52           HN       SER  52   5.496   1.504   6.721
  445    HA   SER  52           HA       SER  52   3.368   1.078   7.351
  446   1HB   SER  52          HB2       SER  52   4.392   0.168   9.418
  447   2HB   SER  52          HB1       SER  52   4.247   1.759  10.163
  448    HG   SER  52           HG       SER  52   2.310  -0.156   9.661
  449    H    GLY  53           HN       GLY  53   1.398   2.095   7.669
  450   1HA   GLY  53          HA2       GLY  53  -0.103   3.812   7.858
  451   2HA   GLY  53          HA1       GLY  53   1.058   4.611   8.904
  452    H    ASN  54           HN       ASN  54   1.932   3.718   5.661
  453    HA   ASN  54           HA       ASN  54   2.217   6.575   5.074
  454   1HB   ASN  54          HB2       ASN  54   3.701   5.856   3.228
  455   2HB   ASN  54          HB1       ASN  54   4.254   5.298   4.802
  456   1HD2  ASN  54          HD21      ASN  54   4.155   3.106   5.290
  457   2HD2  ASN  54          HD22      ASN  54   3.956   1.903   4.067
  458    H    VAL  55           HN       VAL  55   1.035   7.591   3.618
  459    HA   VAL  55           HA       VAL  55  -1.224   6.202   2.504
  460    HB   VAL  55           HB       VAL  55  -0.413   9.097   2.173
  461   1HG1  VAL  55          HG11      VAL  55  -2.751   9.462   1.573
  462   2HG1  VAL  55          HG12      VAL  55  -3.063   7.732   1.709
  463   3HG1  VAL  55          HG13      VAL  55  -1.977   8.336   0.457
  464   1HG2  VAL  55          HG21      VAL  55  -2.071   9.542   3.933
  465   2HG2  VAL  55          HG22      VAL  55  -0.731   8.552   4.513
  466   3HG2  VAL  55          HG23      VAL  55  -2.286   7.805   4.148
  467    H    VAL  56           HN       VAL  56  -1.063   5.096   0.700
  468    HA   VAL  56           HA       VAL  56   0.884   5.698  -1.344
  469    HB   VAL  56           HB       VAL  56  -1.394   3.707  -1.391
  470   1HG1  VAL  56          HG11      VAL  56   1.092   3.891  -3.086
  471   2HG1  VAL  56          HG12      VAL  56  -0.558   4.219  -3.613
  472   3HG1  VAL  56          HG13      VAL  56  -0.096   2.586  -3.138
  473   1HG2  VAL  56          HG21      VAL  56   1.493   3.308  -0.615
  474   2HG2  VAL  56          HG22      VAL  56   0.289   2.031  -0.787
  475   3HG2  VAL  56          HG23      VAL  56   0.105   3.253   0.471
  476    H    CYS  57           HN       CYS  57  -2.666   5.649  -1.128
  477    HA   CYS  57           HA       CYS  57  -2.733   7.782  -3.152
  478   1HB   CYS  57          HB2       CYS  57  -3.434   5.584  -4.141
  479   2HB   CYS  57          HB1       CYS  57  -4.752   5.529  -2.973
  480    HG   CYS  57           HG       CYS  57  -5.434   8.289  -4.111
  481    H    LYS  58           HN       LYS  58  -3.728   9.541  -2.412
  482    HA   LYS  58           HA       LYS  58  -5.347   9.268   0.021
  483   1HB   LYS  58          HB2       LYS  58  -3.298  10.647   0.200
  484   2HB   LYS  58          HB1       LYS  58  -3.923  11.709  -1.054
  485   1HG   LYS  58          HG2       LYS  58  -5.701  12.442   0.338
  486   2HG   LYS  58          HG1       LYS  58  -5.340  11.209   1.546
  487   1HD   LYS  58          HD2       LYS  58  -3.091  12.312   1.830
  488   2HD   LYS  58          HD1       LYS  58  -3.703  13.630   0.827
  489   1HE   LYS  58          HE2       LYS  58  -3.958  14.164   3.188
  490   2HE   LYS  58          HE1       LYS  58  -5.534  13.983   2.418
  491   1HZ   LYS  58          HZ1       LYS  58  -5.537  12.873   4.535
  492   2HZ   LYS  58          HZ2       LYS  58  -4.161  11.975   4.128
  493   3HZ   LYS  58          HZ3       LYS  58  -5.621  11.696   3.310
  494    H    ASN  59           HN       ASN  59  -7.404   9.921   0.079
  495    HA   ASN  59           HA       ASN  59  -9.444  10.709  -0.536
  496   1HB   ASN  59          HB2       ASN  59  -8.005  12.847  -0.829
  497   2HB   ASN  59          HB1       ASN  59  -8.128  12.526  -2.554
  498   1HD2  ASN  59          HD21      ASN  59  -9.823  13.470   0.317
  499   2HD2  ASN  59          HD22      ASN  59 -11.277  14.000  -0.460
  500    H    ILE  60           HN       ILE  60  -8.281   8.439  -1.873
  501    HA   ILE  60           HA       ILE  60  -8.698   8.465  -4.648
  502    HB   ILE  60           HB       ILE  60  -7.425   6.694  -3.620
  503   1HG1  ILE  60          HG12      ILE  60  -9.965   5.589  -4.835
  504   2HG1  ILE  60          HG11      ILE  60  -8.571   6.177  -5.734
  505   1HG2  ILE  60          HG21      ILE  60  -8.487   4.945  -2.259
  506   2HG2  ILE  60          HG22      ILE  60  -9.985   5.876  -2.266
  507   3HG2  ILE  60          HG23      ILE  60  -8.543   6.533  -1.494
  508   1HD1  ILE  60          HD11      ILE  60  -8.612   3.750  -5.639
  509   2HD1  ILE  60          HD12      ILE  60  -8.598   3.809  -3.877
  510   3HD1  ILE  60          HD13      ILE  60  -7.207   4.392  -4.790
  511    H    MET  61           HN       MET  61 -10.443   8.222  -5.906
  512    HA   MET  61           HA       MET  61 -12.588   8.129  -6.600
  513   1HB   MET  61          HB2       MET  61 -12.895   6.391  -4.151
  514   2HB   MET  61          HB1       MET  61 -14.155   6.621  -5.354
  515   1HG   MET  61          HG2       MET  61 -12.629   5.711  -7.072
  516   2HG   MET  61          HG1       MET  61 -11.442   5.405  -5.807
  517   1HE   MET  61          HE1       MET  61 -15.319   5.053  -5.389
  518   2HE   MET  61          HE2       MET  61 -15.585   3.379  -5.873
  519   3HE   MET  61          HE3       MET  61 -15.081   4.572  -7.069
  520    H    ASN  62           HN       ASN  62 -11.649  10.096  -4.440
  521    HA   ASN  62           HA       ASN  62 -12.471  12.056  -3.681
  522   1HB   ASN  62          HB2       ASN  62 -15.036  11.164  -4.999
  523   2HB   ASN  62          HB1       ASN  62 -14.808  12.741  -4.253
  524   1HD2  ASN  62          HD21      ASN  62 -13.404  14.227  -5.221
  525   2HD2  ASN  62          HD22      ASN  62 -12.942  14.082  -6.884
  526    H    THR  63           HN       THR  63 -13.428   9.116  -2.520
  527    HA   THR  63           HA       THR  63 -15.354  10.041  -0.588
  528    HB   THR  63           HB       THR  63 -15.463   7.734  -1.420
  529    HG1  THR  63           HG1      THR  63 -16.057   8.404   0.848
  530   1HG2  THR  63          HG21      THR  63 -13.094   7.269  -1.710
  531   2HG2  THR  63          HG22      THR  63 -13.825   6.062  -0.651
  532   3HG2  THR  63          HG23      THR  63 -12.843   7.356   0.034
  533    H    GLY  64           HN       GLY  64 -12.034  10.238  -0.851
  534   1HA   GLY  64          HA2       GLY  64 -10.620  11.383   0.588
  535   2HA   GLY  64          HA1       GLY  64 -11.866  11.317   1.823
  536    H    VAL  65           HN       VAL  65 -11.510   8.240   0.658
  537    HA   VAL  65           HA       VAL  65 -10.188   7.309   2.984
  538    HB   VAL  65           HB       VAL  65 -11.022   5.976   0.419
  539   1HG1  VAL  65          HG11      VAL  65  -9.424   4.691   2.636
  540   2HG1  VAL  65          HG12      VAL  65  -8.882   4.944   0.976
  541   3HG1  VAL  65          HG13      VAL  65 -10.209   3.831   1.311
  542   1HG2  VAL  65          HG21      VAL  65 -11.695   5.430   3.306
  543   2HG2  VAL  65          HG22      VAL  65 -12.449   4.697   1.889
  544   3HG2  VAL  65          HG23      VAL  65 -12.668   6.418   2.215
  545    H    ASP  66           HN       ASP  66  -8.112   7.130   3.415
  546    HA   ASP  66           HA       ASP  66  -6.182   7.489   1.249
  547   1HB   ASP  66          HB2       ASP  66  -5.459   7.277   4.162
  548   2HB   ASP  66          HB1       ASP  66  -4.587   8.090   2.870
  549    H    ILE  67           HN       ILE  67  -5.292   5.723   0.404
  550    HA   ILE  67           HA       ILE  67  -5.532   3.189   1.808
  551    HB   ILE  67           HB       ILE  67  -4.337   3.806  -0.909
  552   1HG1  ILE  67          HG12      ILE  67  -6.751   4.208  -0.843
  553   2HG1  ILE  67          HG11      ILE  67  -6.395   2.769  -1.796
  554   1HG2  ILE  67          HG21      ILE  67  -4.919   1.161   0.415
  555   2HG2  ILE  67          HG22      ILE  67  -3.333   1.812  -0.000
  556   3HG2  ILE  67          HG23      ILE  67  -4.466   1.364  -1.277
  557   1HD1  ILE  67          HD11      ILE  67  -8.336   2.416  -0.396
  558   2HD1  ILE  67          HD12      ILE  67  -7.397   2.813   1.044
  559   3HD1  ILE  67          HD13      ILE  67  -7.014   1.367   0.111
  560    H    ILE  68           HN       ILE  68  -4.080   2.797   3.341
  561    HA   ILE  68           HA       ILE  68  -1.388   3.926   3.010
  562    HB   ILE  68           HB       ILE  68  -1.196   3.775   5.482
  563   1HG1  ILE  68          HG12      ILE  68  -4.161   3.173   5.366
  564   2HG1  ILE  68          HG11      ILE  68  -2.913   2.021   5.830
  565   1HG2  ILE  68          HG21      ILE  68  -1.812   5.857   4.350
  566   2HG2  ILE  68          HG22      ILE  68  -2.553   5.728   5.946
  567   3HG2  ILE  68          HG23      ILE  68  -3.516   5.425   4.499
  568   1HD1  ILE  68          HD11      ILE  68  -2.351   3.402   7.753
  569   2HD1  ILE  68          HD12      ILE  68  -4.053   2.939   7.768
  570   3HD1  ILE  68          HD13      ILE  68  -3.585   4.569   7.281
  571    H    CYS  69           HN       CYS  69   0.332   2.665   3.003
  572    HA   CYS  69           HA       CYS  69   0.064  -0.198   3.256
  573   1HB   CYS  69          HB2       CYS  69   1.595   0.523   1.591
  574   2HB   CYS  69          HB1       CYS  69   2.371   1.659   2.686
  575    HG   CYS  69           HG       CYS  69   4.236  -0.286   2.271
  576    H    THR  70           HN       THR  70   0.679  -1.426   5.003
  577    HA   THR  70           HA       THR  70   1.435   0.134   7.383
  578    HB   THR  70           HB       THR  70  -0.831  -0.870   7.488
  579    HG1  THR  70           HG1      THR  70  -0.400  -2.048   9.537
  580   1HG2  THR  70          HG21      THR  70  -0.444  -2.863   6.137
  581   2HG2  THR  70          HG22      THR  70  -1.070  -3.304   7.726
  582   3HG2  THR  70          HG23      THR  70   0.645  -3.502   7.368
  583    H    LYS  71           HN       LYS  71   2.644  -2.056   5.207
  584    HA   LYS  71           HA       LYS  71   4.313  -3.428   7.182
  585   1HB   LYS  71          HB2       LYS  71   3.284  -4.835   5.451
  586   2HB   LYS  71          HB1       LYS  71   4.057  -3.872   4.199
  587   1HG   LYS  71          HG2       LYS  71   6.260  -4.566   5.105
  588   2HG   LYS  71          HG1       LYS  71   5.415  -5.630   6.230
  589   1HD   LYS  71          HD2       LYS  71   4.461  -6.875   4.391
  590   2HD   LYS  71          HD1       LYS  71   5.185  -5.765   3.227
  591   1HE   LYS  71          HE2       LYS  71   6.524  -7.743   3.319
  592   2HE   LYS  71          HE1       LYS  71   7.423  -6.427   4.070
  593   1HZ   LYS  71          HZ1       LYS  71   5.939  -8.580   5.482
  594   2HZ   LYS  71          HZ2       LYS  71   6.723  -7.284   6.246
  595   3HZ   LYS  71          HZ3       LYS  71   7.625  -8.423   5.373
  596    H    ASN  72           HN       ASN  72   6.492  -3.134   7.304
  597    HA   ASN  72           HA       ASN  72   7.429  -0.627   6.172
  598   1HB   ASN  72          HB2       ASN  72   8.695  -2.522   8.170
  599   2HB   ASN  72          HB1       ASN  72   9.424  -1.011   7.640
  600   1HD2  ASN  72          HD21      ASN  72   5.989  -1.478   8.227
  601   2HD2  ASN  72          HD22      ASN  72   5.894  -0.429   9.596
  602    H    LEU  73           HN       LEU  73   8.798  -0.434   4.527
  603    HA   LEU  73           HA       LEU  73   9.805  -2.928   3.330
  604   1HB   LEU  73          HB2       LEU  73   9.172  -0.293   2.004
  605   2HB   LEU  73          HB1       LEU  73   9.807  -1.710   1.188
  606    HG   LEU  73           HG       LEU  73   7.112  -1.540   2.547
  607   1HD1  LEU  73          HD11      LEU  73   7.216  -0.195   0.516
  608   2HD1  LEU  73          HD12      LEU  73   6.211  -1.624   0.281
  609   3HD1  LEU  73          HD13      LEU  73   7.846  -1.579  -0.378
  610   1HD2  LEU  73          HD21      LEU  73   8.033  -3.787   2.635
  611   2HD2  LEU  73          HD22      LEU  73   8.379  -3.734   0.907
  612   3HD2  LEU  73          HD23      LEU  73   6.708  -3.711   1.472
  613    HA   PRO  74           HA       PRO  74  13.748  -0.880   4.163
  614   1HB   PRO  74          HB2       PRO  74  15.113  -3.064   4.853
  615   2HB   PRO  74          HB1       PRO  74  13.944  -2.336   5.962
  616   1HG   PRO  74          HG2       PRO  74  13.693  -4.779   4.277
  617   2HG   PRO  74          HG1       PRO  74  13.033  -4.456   5.889
  618   1HD   PRO  74          HD2       PRO  74  11.655  -4.249   3.442
  619   2HD   PRO  74          HD1       PRO  74  11.109  -3.626   5.012
  620    H    LYS  75           HN       LYS  75  16.005  -1.469   3.330
  621    HA   LYS  75           HA       LYS  75  15.827  -2.713   0.668
  622   1HB   LYS  75          HB2       LYS  75  17.557  -0.382   1.529
  623   2HB   LYS  75          HB1       LYS  75  17.651  -1.179  -0.035
  624   1HG   LYS  75          HG2       LYS  75  15.358  -0.488  -0.522
  625   2HG   LYS  75          HG1       LYS  75  15.270   0.311   1.049
  626   1HD   LYS  75          HD2       LYS  75  15.778   2.057  -0.401
  627   2HD   LYS  75          HD1       LYS  75  17.353   1.615   0.250
  628   1HE   LYS  75          HE2       LYS  75  16.238   0.697  -2.399
  629   2HE   LYS  75          HE1       LYS  75  17.393   2.009  -2.185
  630   1HZ   LYS  75          HZ1       LYS  75  18.656   0.151  -2.782
  631   2HZ   LYS  75          HZ2       LYS  75  17.807  -0.890  -1.749
  632   3HZ   LYS  75          HZ3       LYS  75  18.866   0.265  -1.101
  633    H    ASP  76           HN       ASP  76  17.861  -3.670  -0.085
  634    HA   ASP  76           HA       ASP  76  19.346  -4.831   2.179
  635   1HB   ASP  76          HB2       ASP  76  17.930  -6.298   0.581
  636   2HB   ASP  76          HB1       ASP  76  19.208  -6.014  -0.592
  637    H    SER  77           HN       SER  77  21.422  -5.913   0.485
  638    HA   SER  77           HA       SER  77  23.433  -5.411  -0.415
  639   1HB   SER  77          HB2       SER  77  22.135  -2.815  -1.279
  640   2HB   SER  77          HB1       SER  77  23.664  -3.458  -1.884
  641    HG   SER  77           HG       SER  77  22.290  -5.396  -2.420
  642    H    LEU  78           HN       LEU  78  22.490  -4.448   2.304
  643    HA   LEU  78           HA       LEU  78  24.393  -2.324   2.851
  644   1HB   LEU  78          HB2       LEU  78  22.612  -3.910   4.710
  645   2HB   LEU  78          HB1       LEU  78  23.600  -2.541   5.179
  646    HG   LEU  78           HG       LEU  78  21.263  -2.449   3.270
  647   1HD1  LEU  78          HD11      LEU  78  20.606  -2.796   5.598
  648   2HD1  LEU  78          HD12      LEU  78  20.151  -1.191   5.029
  649   3HD1  LEU  78          HD13      LEU  78  21.557  -1.390   6.075
  650   1HD2  LEU  78          HD21      LEU  78  22.981  -0.220   4.355
  651   2HD2  LEU  78          HD22      LEU  78  21.560  -0.032   3.327
  652   3HD2  LEU  78          HD23      LEU  78  23.006  -0.823   2.698
  653    H    GLU  79           HN       GLU  79  26.308  -2.599   3.952
  654    HA   GLU  79           HA       GLU  79  27.446  -5.233   3.640
  655   1HB   GLU  79          HB2       GLU  79  29.588  -4.116   4.270
  656   2HB   GLU  79          HB1       GLU  79  28.795  -3.424   2.867
  657   1HG   GLU  79          HG2       GLU  79  28.481  -2.250   5.607
  658   2HG   GLU  79          HG1       GLU  79  29.823  -1.825   4.546
  659    H    HIS  80           HN       HIS  80  25.518  -5.176   5.682
  660    HA   HIS  80           HA       HIS  80  26.865  -5.139   8.218
  661   1HB   HIS  80          HB2       HIS  80  24.364  -4.822   7.898
  662   2HB   HIS  80          HB1       HIS  80  24.268  -6.551   7.581
  663    HD1  HIS  80           HD1      HIS  80  24.040  -8.044   9.582
  664    HD2  HIS  80           HD2      HIS  80  25.350  -4.224  10.586
  665    HE1  HIS  80           HE1      HIS  80  24.065  -7.972  12.092
  666    HE2  HIS  80           HE2      HIS  80  25.092  -5.743  12.665
  667    H    HIS  81           HN       HIS  81  26.266  -7.431   5.690
  668    HA   HIS  81           HA       HIS  81  27.578  -9.543   7.247
  669   1HB   HIS  81          HB2       HIS  81  25.511 -10.281   6.256
  670   2HB   HIS  81          HB1       HIS  81  25.967  -9.625   4.688
  671    HD1  HIS  81           HD1      HIS  81  26.483 -11.468   3.130
  672    HD2  HIS  81           HD2      HIS  81  27.759 -12.321   7.003
  673    HE1  HIS  81           HE1      HIS  81  27.584 -13.721   3.003
  674    HE2  HIS  81           HE2      HIS  81  28.272 -14.260   5.361
  675    H    HIS  82           HN       HIS  82  29.719  -9.498   7.058
  676    HA   HIS  82           HA       HIS  82  30.937  -8.569   4.565
  677   1HB   HIS  82          HB2       HIS  82  32.182  -9.254   7.239
  678   2HB   HIS  82          HB1       HIS  82  33.074  -8.672   5.839
  679    HD1  HIS  82           HD1      HIS  82  32.328  -6.187   4.998
  680    HD2  HIS  82           HD2      HIS  82  31.225  -7.304   8.856
  681    HE1  HIS  82           HE1      HIS  82  31.833  -4.037   6.222
  682    HE2  HIS  82           HE2      HIS  82  31.267  -4.730   8.581
  683    H    HIS  83           HN       HIS  83  30.691 -10.238   3.142
  684    HA   HIS  83           HA       HIS  83  31.787 -12.849   3.883
  685   1HB   HIS  83          HB2       HIS  83  29.631 -12.804   2.690
  686   2HB   HIS  83          HB1       HIS  83  30.389 -11.958   1.345
  687    HD1  HIS  83           HD1      HIS  83  30.163 -15.340   2.964
  688    HD2  HIS  83           HD2      HIS  83  31.812 -13.571  -0.420
  689    HE1  HIS  83           HE1      HIS  83  30.889 -17.241   1.487
  690    HE2  HIS  83           HE2      HIS  83  31.636 -16.138  -0.646
  691    H    HIS  84           HN       HIS  84  32.009 -10.859   0.930
  692    HA   HIS  84           HA       HIS  84  34.943 -10.988   1.172
  693   1HB   HIS  84          HB2       HIS  84  33.986 -12.522  -0.628
  694   2HB   HIS  84          HB1       HIS  84  33.467 -11.063  -1.468
  695    HD1  HIS  84           HD1      HIS  84  36.701 -12.510  -0.071
  696    HD2  HIS  84           HD2      HIS  84  35.337 -10.135  -3.205
  697    HE1  HIS  84           HE1      HIS  84  38.720 -12.043  -1.501
  698    HE2  HIS  84           HE2      HIS  84  37.849 -10.703  -3.454
  699    H    HIS  85           HN       HIS  85  33.018  -9.089   2.062
  700    HA   HIS  85           HA       HIS  85  34.123  -6.709   0.818
  701   1HB   HIS  85          HB2       HIS  85  31.927  -7.121  -0.319
  702   2HB   HIS  85          HB1       HIS  85  31.137  -7.050   1.250
  703    HD1  HIS  85           HD1      HIS  85  31.425  -5.057  -1.543
  704    HD2  HIS  85           HD2      HIS  85  32.099  -4.314   2.493
  705    HE1  HIS  85           HE1      HIS  85  31.237  -2.559  -1.268
  706    HE2  HIS  85           HE2      HIS  85  31.478  -2.156   1.211
  Start of MODEL   10
    1   1H    MET   1          HT1       MET   1 -23.793   2.075   2.716
    2   2H    MET   1          HT2       MET   1 -23.758   2.130   4.414
    3   3H    MET   1          HT3       MET   1 -25.172   2.561   3.580
    4    HA   MET   1           HA       MET   1 -25.389   0.383   4.547
    5   1HB   MET   1          HB2       MET   1 -26.505   0.928   2.401
    6   2HB   MET   1          HB1       MET   1 -25.117   0.283   1.536
    7   1HG   MET   1          HG2       MET   1 -25.538  -1.917   2.529
    8   2HG   MET   1          HG1       MET   1 -26.952  -1.261   3.354
    9   1HE   MET   1          HE1       MET   1 -28.609  -3.501   0.627
   10   2HE   MET   1          HE2       MET   1 -28.539  -3.098   2.343
   11   3HE   MET   1          HE3       MET   1 -27.146  -3.835   1.555
   12    H    HIS   2           HN       HIS   2 -23.772  -0.569   5.667
   13    HA   HIS   2           HA       HIS   2 -22.129  -2.030   6.167
   14   1HB   HIS   2          HB2       HIS   2 -22.885  -3.034   3.439
   15   2HB   HIS   2          HB1       HIS   2 -21.593  -3.792   4.363
   16    HD1  HIS   2           HD1      HIS   2 -22.334  -5.667   5.787
   17    HD2  HIS   2           HD2      HIS   2 -25.407  -2.965   5.060
   18    HE1  HIS   2           HE1      HIS   2 -24.368  -6.635   6.908
   19    HE2  HIS   2           HE2      HIS   2 -26.170  -4.904   6.595
   20    H    LYS   3           HN       LYS   3 -20.473  -0.638   6.462
   21    HA   LYS   3           HA       LYS   3 -18.598  -0.221   4.236
   22   1HB   LYS   3          HB2       LYS   3 -18.460   0.879   7.052
   23   2HB   LYS   3          HB1       LYS   3 -17.526   1.406   5.661
   24   1HG   LYS   3          HG2       LYS   3 -20.497   1.607   5.573
   25   2HG   LYS   3          HG1       LYS   3 -19.578   2.785   6.509
   26   1HD   LYS   3          HD2       LYS   3 -18.219   3.212   4.434
   27   2HD   LYS   3          HD1       LYS   3 -19.379   2.206   3.557
   28   1HE   LYS   3          HE2       LYS   3 -21.188   3.695   4.236
   29   2HE   LYS   3          HE1       LYS   3 -20.046   4.691   5.131
   30   1HZ   LYS   3          HZ1       LYS   3 -18.882   5.000   2.918
   31   2HZ   LYS   3          HZ2       LYS   3 -20.370   5.781   3.112
   32   3HZ   LYS   3          HZ3       LYS   3 -20.280   4.357   2.196
   33    H    ASP   4           HN       ASP   4 -16.785  -1.468   4.091
   34    HA   ASP   4           HA       ASP   4 -15.916  -2.932   6.498
   35   1HB   ASP   4          HB2       ASP   4 -17.265  -4.407   4.984
   36   2HB   ASP   4          HB1       ASP   4 -16.067  -4.131   3.722
   37    H    ILE   5           HN       ILE   5 -13.761  -2.959   6.832
   38    HA   ILE   5           HA       ILE   5 -12.042  -1.223   5.482
   39    HB   ILE   5           HB       ILE   5 -11.398  -3.588   7.246
   40   1HG1  ILE   5          HG12      ILE   5 -12.651  -1.759   8.323
   41   2HG1  ILE   5          HG11      ILE   5 -11.021  -1.906   8.970
   42   1HG2  ILE   5          HG21      ILE   5  -9.155  -2.637   7.501
   43   2HG2  ILE   5          HG22      ILE   5  -9.538  -1.417   6.286
   44   3HG2  ILE   5          HG23      ILE   5  -9.475  -3.121   5.835
   45   1HD1  ILE   5          HD11      ILE   5 -11.934   0.127   6.950
   46   2HD1  ILE   5          HD12      ILE   5 -10.306  -0.016   7.612
   47   3HD1  ILE   5          HD13      ILE   5 -11.652   0.419   8.666
   48    H    PHE   6           HN       PHE   6 -10.909  -1.367   3.687
   49    HA   PHE   6           HA       PHE   6 -10.827  -3.934   2.260
   50   1HB   PHE   6          HB2       PHE   6 -11.910  -2.115   1.057
   51   2HB   PHE   6          HB1       PHE   6 -10.506  -1.083   1.292
   52    HD1  PHE   6           HD2      PHE   6 -11.614  -4.226  -0.349
   53    HD2  PHE   6           HD1      PHE   6  -8.801  -1.035  -0.288
   54    HE1  PHE   6           HE2      PHE   6 -10.705  -4.992  -2.503
   55    HE2  PHE   6           HE1      PHE   6  -7.890  -1.793  -2.442
   56    HZ   PHE   6           HZ       PHE   6  -8.843  -3.772  -3.550
   57    H    THR   7           HN       THR   7  -9.002  -5.023   2.449
   58    HA   THR   7           HA       THR   7  -6.444  -3.548   2.520
   59    HB   THR   7           HB       THR   7  -6.935  -6.283   3.719
   60    HG1  THR   7           HG1      THR   7  -8.152  -4.461   4.707
   61   1HG2  THR   7          HG21      THR   7  -4.723  -4.261   4.111
   62   2HG2  THR   7          HG22      THR   7  -4.600  -5.770   3.207
   63   3HG2  THR   7          HG23      THR   7  -4.861  -5.805   4.950
   64    H    SER   8           HN       SER   8  -4.857  -4.222   1.102
   65    HA   SER   8           HA       SER   8  -5.055  -6.723  -0.321
   66   1HB   SER   8          HB2       SER   8  -5.477  -4.104  -1.783
   67   2HB   SER   8          HB1       SER   8  -5.091  -5.628  -2.582
   68    HG   SER   8           HG       SER   8  -7.196  -5.783  -0.819
   69    H    VAL   9           HN       VAL   9  -3.278  -6.664  -2.175
   70    HA   VAL   9           HA       VAL   9  -0.968  -5.154  -1.156
   71    HB   VAL   9           HB       VAL   9   0.468  -6.912  -2.206
   72   1HG1  VAL   9          HG11      VAL   9   0.130  -8.568  -0.421
   73   2HG1  VAL   9          HG12      VAL   9  -1.425  -7.824  -0.045
   74   3HG1  VAL   9          HG13      VAL   9   0.069  -6.912   0.180
   75   1HG2  VAL   9          HG21      VAL   9  -2.131  -8.428  -2.448
   76   2HG2  VAL   9          HG22      VAL   9  -0.519  -9.092  -2.721
   77   3HG2  VAL   9          HG23      VAL   9  -1.146  -7.835  -3.786
   78    H    VAL  10           HN       VAL  10   0.018  -3.793  -2.499
   79    HA   VAL  10           HA       VAL  10  -0.929  -3.734  -5.288
   80    HB   VAL  10           HB       VAL  10  -1.515  -1.759  -3.861
   81   1HG1  VAL  10          HG11      VAL  10   0.228  -0.135  -3.314
   82   2HG1  VAL  10          HG12      VAL  10   1.454  -1.273  -3.875
   83   3HG1  VAL  10          HG13      VAL  10   0.460  -1.667  -2.473
   84   1HG2  VAL  10          HG21      VAL  10  -1.433  -1.526  -6.265
   85   2HG2  VAL  10          HG22      VAL  10   0.301  -1.203  -6.198
   86   3HG2  VAL  10          HG23      VAL  10  -0.840  -0.057  -5.491
   87    H    ARG  11           HN       ARG  11   0.643  -3.112  -6.929
   88    HA   ARG  11           HA       ARG  11   3.106  -4.496  -6.602
   89   1HB   ARG  11          HB2       ARG  11   2.265  -2.629  -8.827
   90   2HB   ARG  11          HB1       ARG  11   3.601  -3.774  -8.881
   91   1HG   ARG  11          HG2       ARG  11   0.684  -4.468  -8.606
   92   2HG   ARG  11          HG1       ARG  11   1.661  -4.631 -10.065
   93   1HD   ARG  11          HD2       ARG  11   2.906  -6.386  -9.184
   94   2HD   ARG  11          HD1       ARG  11   2.470  -5.987  -7.521
   95    HE   ARG  11           HE       ARG  11   0.110  -6.675  -8.359
   96   1HH1  ARG  11          HH11      ARG  11   3.151  -8.160  -9.285
   97   2HH1  ARG  11          HH12      ARG  11   2.450  -9.738  -9.513
   98   1HH2  ARG  11          HH21      ARG  11  -0.810  -8.742  -8.648
   99   2HH2  ARG  11          HH22      ARG  11   0.201 -10.070  -9.159
  100    H    VAL  12           HN       VAL  12   4.983  -3.799  -5.883
  101    HA   VAL  12           HA       VAL  12   5.231  -0.929  -5.317
  102    HB   VAL  12           HB       VAL  12   5.181  -2.314  -3.310
  103   1HG1  VAL  12          HG11      VAL  12   6.001  -4.395  -4.223
  104   2HG1  VAL  12          HG12      VAL  12   6.975  -3.912  -2.835
  105   3HG1  VAL  12          HG13      VAL  12   7.594  -3.685  -4.471
  106   1HG2  VAL  12          HG21      VAL  12   7.929  -1.233  -3.866
  107   2HG2  VAL  12          HG22      VAL  12   7.286  -1.635  -2.274
  108   3HG2  VAL  12          HG23      VAL  12   6.560  -0.329  -3.215
  109    H    ARG  13           HN       ARG  13   6.911   0.210  -6.035
  110    HA   ARG  13           HA       ARG  13   9.126  -1.202  -7.379
  111   1HB   ARG  13          HB2       ARG  13   7.889   1.440  -8.194
  112   2HB   ARG  13          HB1       ARG  13   9.214   0.618  -9.008
  113   1HG   ARG  13          HG2       ARG  13   7.776  -1.153  -9.710
  114   2HG   ARG  13          HG1       ARG  13   6.449  -0.534  -8.724
  115   1HD   ARG  13          HD2       ARG  13   6.118   0.052 -11.054
  116   2HD   ARG  13          HD1       ARG  13   6.400   1.500 -10.089
  117    HE   ARG  13           HE       ARG  13   8.549   0.241 -11.671
  118   1HH1  ARG  13          HH11      ARG  13   6.710   3.051 -10.672
  119   2HH1  ARG  13          HH12      ARG  13   7.630   4.162 -11.641
  120   1HH2  ARG  13          HH21      ARG  13   9.750   1.706 -12.968
  121   2HH2  ARG  13          HH22      ARG  13   9.339   3.391 -12.957
  122    H    GLY  14           HN       GLY  14  10.988   0.589  -7.722
  123   1HA   GLY  14          HA2       GLY  14  11.906   2.652  -6.811
  124   2HA   GLY  14          HA1       GLY  14  11.103   2.276  -5.297
  125    H    SER  15           HN       SER  15  13.174   2.637  -4.306
  126    HA   SER  15           HA       SER  15  15.373   0.880  -4.970
  127   1HB   SER  15          HB2       SER  15  15.288   2.716  -2.592
  128   2HB   SER  15          HB1       SER  15  16.671   2.244  -3.577
  129    HG   SER  15           HG       SER  15  16.056   3.628  -5.146
  130    H    LYS  16           HN       LYS  16  12.729  -0.011  -3.602
  131    HA   LYS  16           HA       LYS  16  13.641  -0.997  -1.051
  132   1HB   LYS  16          HB2       LYS  16  11.392  -2.182  -1.053
  133   2HB   LYS  16          HB1       LYS  16  11.351  -0.428  -1.079
  134   1HG   LYS  16          HG2       LYS  16   9.667  -1.350  -2.552
  135   2HG   LYS  16          HG1       LYS  16  10.879  -0.473  -3.481
  136   1HD   LYS  16          HD2       LYS  16  11.931  -2.564  -4.130
  137   2HD   LYS  16          HD1       LYS  16  10.802  -3.472  -3.122
  138   1HE   LYS  16          HE2       LYS  16   8.999  -2.998  -4.520
  139   2HE   LYS  16          HE1       LYS  16   9.844  -1.674  -5.320
  140   1HZ   LYS  16          HZ1       LYS  16  10.493  -4.563  -5.575
  141   2HZ   LYS  16          HZ2       LYS  16  11.334  -3.299  -6.329
  142   3HZ   LYS  16          HZ3       LYS  16   9.718  -3.611  -6.743
  143    H    LYS  17           HN       LYS  17  13.023  -3.426  -0.632
  144    HA   LYS  17           HA       LYS  17  13.969  -5.065  -2.877
  145   1HB   LYS  17          HB2       LYS  17  14.654  -5.414   0.052
  146   2HB   LYS  17          HB1       LYS  17  15.097  -6.536  -1.231
  147   1HG   LYS  17          HG2       LYS  17  16.431  -4.824  -2.310
  148   2HG   LYS  17          HG1       LYS  17  15.936  -3.646  -1.096
  149   1HD   LYS  17          HD2       LYS  17  17.047  -5.008   0.634
  150   2HD   LYS  17          HD1       LYS  17  17.579  -6.133  -0.621
  151   1HE   LYS  17          HE2       LYS  17  18.811  -4.340  -1.720
  152   2HE   LYS  17          HE1       LYS  17  18.264  -3.197  -0.498
  153   1HZ   LYS  17          HZ1       LYS  17  19.457  -4.507   1.173
  154   2HZ   LYS  17          HZ2       LYS  17  20.492  -3.908  -0.029
  155   3HZ   LYS  17          HZ3       LYS  17  20.027  -5.543  -0.044
  156    H    TYR  18           HN       TYR  18  11.644  -5.058  -3.222
  157    HA   TYR  18           HA       TYR  18  10.360  -7.374  -2.075
  158   1HB   TYR  18          HB2       TYR  18   9.298  -4.586  -1.674
  159   2HB   TYR  18          HB1       TYR  18   8.201  -5.955  -1.780
  160    HD1  TYR  18           HD2      TYR  18   8.483  -7.837  -0.098
  161    HD2  TYR  18           HD1      TYR  18  10.345  -4.040   0.356
  162    HE1  TYR  18           HE2      TYR  18   8.751  -8.267   2.306
  163    HE2  TYR  18           HE1      TYR  18  10.618  -4.458   2.765
  164    HH   TYR  18           HH       TYR  18  10.146  -7.530   4.174
  165    H    ASN  19           HN       ASN  19   8.058  -7.543  -3.218
  166    HA   ASN  19           HA       ASN  19   8.252  -6.396  -5.928
  167   1HB   ASN  19          HB2       ASN  19   8.820  -8.740  -6.100
  168   2HB   ASN  19          HB1       ASN  19   7.412  -9.200  -5.153
  169   1HD2  ASN  19          HD21      ASN  19   8.541  -8.030  -8.239
  170   2HD2  ASN  19          HD22      ASN  19   7.101  -8.404  -9.125
  171    H    VAL  20           HN       VAL  20   6.323  -7.079  -3.181
  172    HA   VAL  20           HA       VAL  20   4.121  -5.551  -4.300
  173    HB   VAL  20           HB       VAL  20   2.431  -7.125  -3.312
  174   1HG1  VAL  20          HG11      VAL  20   2.433  -8.698  -5.177
  175   2HG1  VAL  20          HG12      VAL  20   4.105  -8.273  -5.542
  176   3HG1  VAL  20          HG13      VAL  20   2.829  -7.067  -5.719
  177   1HG2  VAL  20          HG21      VAL  20   4.773  -9.021  -3.189
  178   2HG2  VAL  20          HG22      VAL  20   3.084  -9.458  -2.927
  179   3HG2  VAL  20          HG23      VAL  20   3.894  -8.356  -1.812
  180    H    VAL  21           HN       VAL  21   2.866  -4.521  -2.658
  181    HA   VAL  21           HA       VAL  21   4.004  -4.764   0.037
  182    HB   VAL  21           HB       VAL  21   5.054  -2.849  -1.099
  183   1HG1  VAL  21          HG11      VAL  21   2.263  -1.740  -1.263
  184   2HG1  VAL  21          HG12      VAL  21   3.295  -2.209  -2.615
  185   3HG1  VAL  21          HG13      VAL  21   3.742  -0.839  -1.598
  186   1HG2  VAL  21          HG21      VAL  21   4.810  -2.800   1.304
  187   2HG2  VAL  21          HG22      VAL  21   3.203  -2.092   1.148
  188   3HG2  VAL  21          HG23      VAL  21   4.623  -1.178   0.638
  189    HA   PRO  22           HA       PRO  22  -0.289  -5.044   1.164
  190   1HB   PRO  22          HB2       PRO  22   0.613  -4.521   3.903
  191   2HB   PRO  22          HB1       PRO  22  -0.131  -5.972   3.231
  192   1HG   PRO  22          HG2       PRO  22   2.464  -5.872   3.973
  193   2HG   PRO  22          HG1       PRO  22   1.886  -6.891   2.643
  194   1HD   PRO  22          HD2       PRO  22   3.306  -4.263   2.546
  195   2HD   PRO  22          HD1       PRO  22   3.484  -5.683   1.496
  196    H    VAL  23           HN       VAL  23  -1.831  -3.564   1.208
  197    HA   VAL  23           HA       VAL  23  -1.353  -0.975   2.512
  198    HB   VAL  23           HB       VAL  23  -2.569   0.180   0.720
  199   1HG1  VAL  23          HG11      VAL  23  -0.855   0.045  -1.032
  200   2HG1  VAL  23          HG12      VAL  23  -0.220  -1.418  -0.279
  201   3HG1  VAL  23          HG13      VAL  23  -0.152   0.118   0.585
  202   1HG2  VAL  23          HG21      VAL  23  -3.966  -1.625  -0.091
  203   2HG2  VAL  23          HG22      VAL  23  -2.546  -2.495  -0.678
  204   3HG2  VAL  23          HG23      VAL  23  -3.014  -0.964  -1.419
  205    H    LYS  24           HN       LYS  24  -3.269   0.066   3.279
  206    HA   LYS  24           HA       LYS  24  -5.701  -1.562   3.300
  207   1HB   LYS  24          HB2       LYS  24  -5.922  -1.275   5.756
  208   2HB   LYS  24          HB1       LYS  24  -4.545  -2.270   5.300
  209   1HG   LYS  24          HG2       LYS  24  -3.037  -0.414   5.675
  210   2HG   LYS  24          HG1       LYS  24  -4.399   0.644   6.043
  211   1HD   LYS  24          HD2       LYS  24  -3.609  -1.812   7.610
  212   2HD   LYS  24          HD1       LYS  24  -3.270  -0.145   8.077
  213   1HE   LYS  24          HE2       LYS  24  -5.750   0.262   8.030
  214   2HE   LYS  24          HE1       LYS  24  -5.960  -1.477   7.823
  215   1HZ   LYS  24          HZ1       LYS  24  -6.175  -0.952  10.122
  216   2HZ   LYS  24          HZ2       LYS  24  -4.716  -0.087  10.130
  217   3HZ   LYS  24          HZ3       LYS  24  -4.702  -1.769   9.922
  218    H    SER  25           HN       SER  25  -7.462  -0.310   4.544
  219    HA   SER  25           HA       SER  25  -7.381   2.493   3.658
  220   1HB   SER  25          HB2       SER  25  -9.991   2.086   3.921
  221   2HB   SER  25          HB1       SER  25  -9.131   1.589   2.463
  222    HG   SER  25           HG       SER  25  -9.052  -0.501   3.239
  223    H    ASN  26           HN       ASN  26  -7.619   4.066   5.111
  224    HA   ASN  26           HA       ASN  26  -7.561   3.439   7.894
  225   1HB   ASN  26          HB2       ASN  26  -7.459   5.853   8.247
  226   2HB   ASN  26          HB1       ASN  26  -6.348   5.373   6.972
  227   1HD2  ASN  26          HD21      ASN  26  -7.554   7.966   7.540
  228   2HD2  ASN  26          HD22      ASN  26  -8.353   8.437   6.082
  229    H    LYS  27           HN       LYS  27 -10.025   4.264   5.631
  230    HA   LYS  27           HA       LYS  27 -12.003   4.291   7.811
  231   1HB   LYS  27          HB2       LYS  27 -12.186   5.749   5.163
  232   2HB   LYS  27          HB1       LYS  27 -13.387   5.783   6.447
  233   1HG   LYS  27          HG2       LYS  27 -11.929   6.979   7.887
  234   2HG   LYS  27          HG1       LYS  27 -10.562   6.744   6.796
  235   1HD   LYS  27          HD2       LYS  27 -11.821   8.073   5.082
  236   2HD   LYS  27          HD1       LYS  27 -13.012   8.438   6.334
  237   1HE   LYS  27          HE2       LYS  27 -11.325   9.514   7.683
  238   2HE   LYS  27          HE1       LYS  27 -10.066   9.050   6.540
  239   1HZ   LYS  27          HZ1       LYS  27 -12.252  11.014   6.131
  240   2HZ   LYS  27          HZ2       LYS  27 -11.314  10.404   4.858
  241   3HZ   LYS  27          HZ3       LYS  27 -10.581  11.288   6.099
  242    HA   PRO  28           HA       PRO  28 -13.498   0.504   6.096
  243   1HB   PRO  28          HB2       PRO  28 -16.140   1.628   6.914
  244   2HB   PRO  28          HB1       PRO  28 -15.432   0.046   7.262
  245   1HG   PRO  28          HG2       PRO  28 -15.498   1.937   9.127
  246   2HG   PRO  28          HG1       PRO  28 -14.086   0.877   8.959
  247   1HD   PRO  28          HD2       PRO  28 -14.426   3.726   8.147
  248   2HD   PRO  28          HD1       PRO  28 -12.986   2.890   8.761
  249    H    VAL  29           HN       VAL  29 -14.078  -0.094   4.119
  250    HA   VAL  29           HA       VAL  29 -15.029   1.975   2.292
  251    HB   VAL  29           HB       VAL  29 -13.959  -0.778   1.671
  252   1HG1  VAL  29          HG11      VAL  29 -14.389   1.628  -0.095
  253   2HG1  VAL  29          HG12      VAL  29 -15.328   0.135  -0.115
  254   3HG1  VAL  29          HG13      VAL  29 -13.630   0.114  -0.588
  255   1HG2  VAL  29          HG21      VAL  29 -12.280   0.535   2.818
  256   2HG2  VAL  29          HG22      VAL  29 -12.541   1.881   1.705
  257   3HG2  VAL  29          HG23      VAL  29 -11.859   0.365   1.113
  258    H    GLU  30           HN       GLU  30 -17.051   2.011   1.590
  259    HA   GLU  30           HA       GLU  30 -18.986   0.160   2.453
  260   1HB   GLU  30          HB2       GLU  30 -19.263   2.613   1.709
  261   2HB   GLU  30          HB1       GLU  30 -19.332   1.967   0.075
  262   1HG   GLU  30          HG2       GLU  30 -21.312   0.786   0.512
  263   2HG   GLU  30          HG1       GLU  30 -21.143   0.995   2.254
  264    H    ILE  31           HN       ILE  31 -19.857  -1.619   1.504
  265    HA   ILE  31           HA       ILE  31 -18.205  -2.954  -0.398
  266    HB   ILE  31           HB       ILE  31 -19.927  -4.785  -0.235
  267   1HG1  ILE  31          HG12      ILE  31 -21.076  -3.587   2.188
  268   2HG1  ILE  31          HG11      ILE  31 -21.567  -2.792   0.692
  269   1HG2  ILE  31          HG21      ILE  31 -17.917  -4.785   1.117
  270   2HG2  ILE  31          HG22      ILE  31 -19.282  -5.387   2.058
  271   3HG2  ILE  31          HG23      ILE  31 -18.693  -3.744   2.310
  272   1HD1  ILE  31          HD11      ILE  31 -21.819  -5.719   1.297
  273   2HD1  ILE  31          HD12      ILE  31 -22.314  -4.914  -0.193
  274   3HD1  ILE  31          HD13      ILE  31 -23.122  -4.531   1.329
  275    H    SER  32           HN       SER  32 -18.621  -1.164  -1.924
  276    HA   SER  32           HA       SER  32 -20.262  -2.198  -4.055
  277   1HB   SER  32          HB2       SER  32 -21.249   0.129  -4.475
  278   2HB   SER  32          HB1       SER  32 -21.931  -0.793  -3.135
  279    HG   SER  32           HG       SER  32 -21.552   1.144  -2.258
  280    H    LYS  33           HN       LYS  33 -17.880   0.125  -2.899
  281    HA   LYS  33           HA       LYS  33 -16.902   0.603  -5.599
  282   1HB   LYS  33          HB2       LYS  33 -15.982   1.675  -2.920
  283   2HB   LYS  33          HB1       LYS  33 -15.233   2.082  -4.453
  284   1HG   LYS  33          HG2       LYS  33 -16.621   3.892  -3.935
  285   2HG   LYS  33          HG1       LYS  33 -17.503   2.976  -5.157
  286   1HD   LYS  33          HD2       LYS  33 -18.916   1.997  -3.477
  287   2HD   LYS  33          HD1       LYS  33 -17.960   2.725  -2.186
  288   1HE   LYS  33          HE2       LYS  33 -20.073   3.924  -2.617
  289   2HE   LYS  33          HE1       LYS  33 -18.649   4.934  -2.857
  290   1HZ   LYS  33          HZ1       LYS  33 -20.031   3.546  -5.083
  291   2HZ   LYS  33          HZ2       LYS  33 -18.878   4.785  -5.187
  292   3HZ   LYS  33          HZ3       LYS  33 -20.428   5.119  -4.588
  293    H    TRP  34           HN       TRP  34 -16.696  -1.835  -3.562
  294    HA   TRP  34           HA       TRP  34 -14.075  -2.353  -2.897
  295   1HB   TRP  34          HB2       TRP  34 -16.092  -3.657  -2.202
  296   2HB   TRP  34          HB1       TRP  34 -16.125  -4.389  -3.801
  297    HD1  TRP  34           HD1      TRP  34 -14.194  -6.186  -4.361
  298    HE1  TRP  34           HE1      TRP  34 -12.710  -7.624  -2.822
  299    HE3  TRP  34           HE3      TRP  34 -14.892  -3.640   0.011
  300    HZ2  TRP  34           HZ2      TRP  34 -11.941  -7.658  -0.102
  301    HZ3  TRP  34           HZ3      TRP  34 -13.750  -4.438   2.040
  302    HH2  TRP  34           HH2      TRP  34 -12.306  -6.408   1.980
  303    H    ILE  35           HN       ILE  35 -15.771  -3.313  -5.870
  304    HA   ILE  35           HA       ILE  35 -13.462  -4.618  -6.953
  305    HB   ILE  35           HB       ILE  35 -16.000  -3.775  -8.370
  306   1HG1  ILE  35          HG12      ILE  35 -15.257  -6.435  -7.130
  307   2HG1  ILE  35          HG11      ILE  35 -16.417  -5.294  -6.461
  308   1HG2  ILE  35          HG21      ILE  35 -14.163  -4.208  -9.911
  309   2HG2  ILE  35          HG22      ILE  35 -15.385  -5.475 -10.025
  310   3HG2  ILE  35          HG23      ILE  35 -13.882  -5.776  -9.152
  311   1HD1  ILE  35          HD11      ILE  35 -16.673  -6.732  -9.093
  312   2HD1  ILE  35          HD12      ILE  35 -17.839  -5.593  -8.421
  313   3HD1  ILE  35          HD13      ILE  35 -17.529  -7.125  -7.604
  314    H    ASP  36           HN       ASP  36 -15.032  -1.497  -7.350
  315    HA   ASP  36           HA       ASP  36 -13.539  -0.576  -9.544
  316   1HB   ASP  36          HB2       ASP  36 -15.631   0.418  -8.139
  317   2HB   ASP  36          HB1       ASP  36 -14.330   1.436  -7.525
  318    H    PHE  37           HN       PHE  37 -12.947  -0.462  -6.072
  319    HA   PHE  37           HA       PHE  37 -10.614   1.088  -6.082
  320   1HB   PHE  37          HB2       PHE  37 -11.703  -1.010  -4.243
  321   2HB   PHE  37          HB1       PHE  37 -10.063  -0.422  -4.003
  322    HD1  PHE  37           HD1      PHE  37 -12.581   1.857  -5.318
  323    HD2  PHE  37           HD2      PHE  37 -10.679   0.397  -1.804
  324    HE1  PHE  37           HE1      PHE  37 -13.453   3.778  -4.054
  325    HE2  PHE  37           HE2      PHE  37 -11.553   2.309  -0.531
  326    HZ   PHE  37           HZ       PHE  37 -12.944   3.997  -1.653
  327    H    SER  38           HN       SER  38 -10.980  -2.467  -6.248
  328    HA   SER  38           HA       SER  38  -8.224  -2.958  -6.531
  329   1HB   SER  38          HB2       SER  38  -8.991  -5.174  -7.537
  330   2HB   SER  38          HB1       SER  38  -9.530  -4.806  -5.901
  331    HG   SER  38           HG       SER  38 -11.255  -3.904  -7.832
  332    H    ASN  39           HN       ASN  39 -10.605  -1.933  -8.854
  333    HA   ASN  39           HA       ASN  39  -9.145  -2.518 -11.212
  334   1HB   ASN  39          HB2       ASN  39 -11.172  -0.342 -10.652
  335   2HB   ASN  39          HB1       ASN  39 -10.500  -0.669 -12.244
  336   1HD2  ASN  39          HD21      ASN  39 -13.240  -0.778 -11.306
  337   2HD2  ASN  39          HD22      ASN  39 -13.799  -2.382 -11.626
  338    H    VAL  40           HN       VAL  40  -9.384   0.407  -9.218
  339    HA   VAL  40           HA       VAL  40  -7.520   1.945 -10.671
  340    HB   VAL  40           HB       VAL  40  -8.194   2.195  -7.730
  341   1HG1  VAL  40          HG11      VAL  40  -6.245   3.497  -8.315
  342   2HG1  VAL  40          HG12      VAL  40  -7.620   4.577  -8.072
  343   3HG1  VAL  40          HG13      VAL  40  -7.083   4.185  -9.706
  344   1HG2  VAL  40          HG21      VAL  40 -10.226   2.215  -9.057
  345   2HG2  VAL  40          HG22      VAL  40  -9.536   3.433 -10.130
  346   3HG2  VAL  40          HG23      VAL  40  -9.882   3.834  -8.448
  347    H    LEU  41           HN       LEU  41  -7.163  -0.189  -7.864
  348    HA   LEU  41           HA       LEU  41  -4.447   0.335  -7.364
  349   1HB   LEU  41          HB2       LEU  41  -6.154  -2.071  -6.785
  350   2HB   LEU  41          HB1       LEU  41  -4.482  -1.955  -6.269
  351    HG   LEU  41           HG       LEU  41  -6.753  -0.156  -5.418
  352   1HD1  LEU  41          HD11      LEU  41  -5.109  -2.202  -3.938
  353   2HD1  LEU  41          HD12      LEU  41  -6.816  -2.326  -4.359
  354   3HD1  LEU  41          HD13      LEU  41  -6.279  -1.110  -3.199
  355   1HD2  LEU  41          HD21      LEU  41  -4.665   1.108  -5.634
  356   2HD2  LEU  41          HD22      LEU  41  -3.841  -0.080  -4.626
  357   3HD2  LEU  41          HD23      LEU  41  -5.130   0.912  -3.944
  358    H    SER  42           HN       SER  42  -5.979  -1.738  -9.722
  359    HA   SER  42           HA       SER  42  -3.642  -3.263 -10.310
  360   1HB   SER  42          HB2       SER  42  -6.129  -2.808 -11.973
  361   2HB   SER  42          HB1       SER  42  -4.895  -4.029 -12.292
  362    HG   SER  42           HG       SER  42  -6.679  -3.855 -10.094
  363    H    ARG  43           HN       ARG  43  -4.540  -0.085 -10.983
  364    HA   ARG  43           HA       ARG  43  -2.626   0.071 -13.211
  365   1HB   ARG  43          HB2       ARG  43  -4.785   2.002 -12.352
  366   2HB   ARG  43          HB1       ARG  43  -3.611   2.328 -13.619
  367   1HG   ARG  43          HG2       ARG  43  -4.462   0.360 -14.853
  368   2HG   ARG  43          HG1       ARG  43  -5.702   0.165 -13.612
  369   1HD   ARG  43          HD2       ARG  43  -6.634   2.313 -14.133
  370   2HD   ARG  43          HD1       ARG  43  -5.314   2.661 -15.249
  371    HE   ARG  43           HE       ARG  43  -7.339   0.555 -15.693
  372   1HH1  ARG  43          HH11      ARG  43  -5.169   3.050 -16.859
  373   2HH1  ARG  43          HH12      ARG  43  -5.653   2.875 -18.527
  374   1HH2  ARG  43          HH21      ARG  43  -7.973   0.313 -17.877
  375   2HH2  ARG  43          HH22      ARG  43  -7.243   1.303 -19.102
  376    H    LEU  44           HN       LEU  44  -2.609   0.245 -10.004
  377    HA   LEU  44           HA       LEU  44  -0.966   2.656  -9.844
  378   1HB   LEU  44          HB2       LEU  44  -2.325   0.986  -7.755
  379   2HB   LEU  44          HB1       LEU  44  -1.064   2.129  -7.332
  380    HG   LEU  44           HG       LEU  44  -3.709   2.772  -8.624
  381   1HD1  LEU  44          HD11      LEU  44  -4.135   3.986  -6.552
  382   2HD1  LEU  44          HD12      LEU  44  -2.575   3.459  -5.917
  383   3HD1  LEU  44          HD13      LEU  44  -3.842   2.274  -6.240
  384   1HD2  LEU  44          HD21      LEU  44  -3.031   5.111  -8.458
  385   2HD2  LEU  44          HD22      LEU  44  -1.951   4.205  -9.517
  386   3HD2  LEU  44          HD23      LEU  44  -1.442   4.611  -7.879
  387    H    TYR  45           HN       TYR  45   1.079   2.465 -10.040
  388    HA   TYR  45           HA       TYR  45   2.439   0.152  -8.830
  389   1HB   TYR  45          HB2       TYR  45   3.067   1.699 -11.336
  390   2HB   TYR  45          HB1       TYR  45   4.342   0.853 -10.462
  391    HD1  TYR  45           HD1      TYR  45   1.143   0.385 -12.272
  392    HD2  TYR  45           HD2      TYR  45   4.584  -1.488 -10.619
  393    HE1  TYR  45           HE1      TYR  45   0.534  -1.713 -13.399
  394    HE2  TYR  45           HE2      TYR  45   3.986  -3.592 -11.737
  395    HH   TYR  45           HH       TYR  45   1.459  -3.756 -14.116
  396    H    VAL  46           HN       VAL  46   3.058   0.864  -6.900
  397    HA   VAL  46           HA       VAL  46   3.641   3.699  -6.560
  398    HB   VAL  46           HB       VAL  46   3.504   3.264  -4.159
  399   1HG1  VAL  46          HG11      VAL  46   1.226   2.049  -5.723
  400   2HG1  VAL  46          HG12      VAL  46   1.448   3.759  -5.353
  401   3HG1  VAL  46          HG13      VAL  46   1.133   2.607  -4.054
  402   1HG2  VAL  46          HG21      VAL  46   2.895   1.051  -3.308
  403   2HG2  VAL  46          HG22      VAL  46   4.458   1.016  -4.124
  404   3HG2  VAL  46          HG23      VAL  46   3.024   0.386  -4.936
  405    H    GLY  47           HN       GLY  47   5.376   3.919  -4.591
  406   1HA   GLY  47          HA2       GLY  47   7.599   2.135  -4.769
  407   2HA   GLY  47          HA1       GLY  47   7.872   3.611  -5.688
  408    H    VAL  48           HN       VAL  48   9.658   3.746  -4.105
  409    HA   VAL  48           HA       VAL  48  10.677   4.777  -2.367
  410    HB   VAL  48           HB       VAL  48   7.973   5.994  -1.771
  411   1HG1  VAL  48          HG11      VAL  48   9.235   7.679  -0.529
  412   2HG1  VAL  48          HG12      VAL  48  10.730   6.803  -0.855
  413   3HG1  VAL  48          HG13      VAL  48   9.481   6.069   0.150
  414   1HG2  VAL  48          HG21      VAL  48  10.305   7.045  -3.367
  415   2HG2  VAL  48          HG22      VAL  48   8.871   7.973  -2.937
  416   3HG2  VAL  48          HG23      VAL  48   8.730   6.574  -4.002
  417    HA   PRO  49           HA       PRO  49   9.696   1.436   0.551
  418   1HB   PRO  49          HB2       PRO  49  12.183   1.724   1.760
  419   2HB   PRO  49          HB1       PRO  49  11.813   0.616   0.437
  420   1HG   PRO  49          HG2       PRO  49  13.110   3.297   0.364
  421   2HG   PRO  49          HG1       PRO  49  13.439   1.860  -0.618
  422   1HD   PRO  49          HD2       PRO  49  12.065   3.970  -1.575
  423   2HD   PRO  49          HD1       PRO  49  11.707   2.304  -2.074
  424    H    THR  50           HN       THR  50   8.298   2.183   2.011
  425    HA   THR  50           HA       THR  50   9.048   4.463   3.700
  426    HB   THR  50           HB       THR  50   6.433   4.284   4.125
  427    HG1  THR  50           HG1      THR  50   6.358   3.573   1.438
  428   1HG2  THR  50          HG21      THR  50   7.640   5.441   1.605
  429   2HG2  THR  50          HG22      THR  50   7.591   6.234   3.179
  430   3HG2  THR  50          HG23      THR  50   6.091   5.904   2.311
  431    H    LYS  51           HN       LYS  51   7.156   4.183   5.677
  432    HA   LYS  51           HA       LYS  51   7.801   1.612   6.960
  433   1HB   LYS  51          HB2       LYS  51   7.784   4.341   8.271
  434   2HB   LYS  51          HB1       LYS  51   8.022   2.812   9.107
  435   1HG   LYS  51          HG2       LYS  51   9.833   3.933   6.974
  436   2HG   LYS  51          HG1       LYS  51  10.132   3.991   8.713
  437   1HD   LYS  51          HD2       LYS  51  10.279   1.606   8.836
  438   2HD   LYS  51          HD1       LYS  51   9.741   1.437   7.166
  439   1HE   LYS  51          HE2       LYS  51  12.287   2.823   7.996
  440   2HE   LYS  51          HE1       LYS  51  12.197   1.135   7.496
  441   1HZ   LYS  51          HZ1       LYS  51  11.472   3.489   5.826
  442   2HZ   LYS  51          HZ2       LYS  51  11.348   1.869   5.345
  443   3HZ   LYS  51          HZ3       LYS  51  12.869   2.540   5.669
  444    H    SER  52           HN       SER  52   6.286   1.316   8.962
  445    HA   SER  52           HA       SER  52   3.695   1.078   7.937
  446   1HB   SER  52          HB2       SER  52   3.094   0.585  10.386
  447   2HB   SER  52          HB1       SER  52   4.287  -0.461   9.615
  448    HG   SER  52           HG       SER  52   4.563   0.921  11.831
  449    H    GLY  53           HN       GLY  53   1.882   2.273   8.045
  450   1HA   GLY  53          HA2       GLY  53   0.429   3.903   8.878
  451   2HA   GLY  53          HA1       GLY  53   1.733   4.526   9.881
  452    H    ASN  54           HN       ASN  54   2.341   3.895   6.539
  453    HA   ASN  54           HA       ASN  54   2.582   6.786   6.113
  454   1HB   ASN  54          HB2       ASN  54   4.051   6.337   4.308
  455   2HB   ASN  54          HB1       ASN  54   4.522   5.236   5.593
  456   1HD2  ASN  54          HD21      ASN  54   4.242   3.044   5.322
  457   2HD2  ASN  54          HD22      ASN  54   3.856   2.340   3.788
  458    H    VAL  55           HN       VAL  55   1.223   7.880   4.815
  459    HA   VAL  55           HA       VAL  55  -0.950   6.436   3.567
  460    HB   VAL  55           HB       VAL  55  -0.341   9.402   3.527
  461   1HG1  VAL  55          HG11      VAL  55  -1.736   8.729   1.652
  462   2HG1  VAL  55          HG12      VAL  55  -2.678   9.648   2.825
  463   3HG1  VAL  55          HG13      VAL  55  -2.836   7.893   2.750
  464   1HG2  VAL  55          HG21      VAL  55  -2.278   7.836   5.228
  465   2HG2  VAL  55          HG22      VAL  55  -2.093   9.590   5.219
  466   3HG2  VAL  55          HG23      VAL  55  -0.772   8.567   5.784
  467    H    VAL  56           HN       VAL  56  -0.521   5.424   1.709
  468    HA   VAL  56           HA       VAL  56   1.445   6.412  -0.160
  469    HB   VAL  56           HB       VAL  56  -0.555   4.211  -0.698
  470   1HG1  VAL  56          HG11      VAL  56   0.682   4.967  -2.621
  471   2HG1  VAL  56          HG12      VAL  56   1.237   3.359  -2.155
  472   3HG1  VAL  56          HG13      VAL  56   2.207   4.779  -1.757
  473   1HG2  VAL  56          HG21      VAL  56   0.521   3.714   1.433
  474   2HG2  VAL  56          HG22      VAL  56   2.107   3.950   0.699
  475   3HG2  VAL  56          HG23      VAL  56   1.081   2.613   0.174
  476    H    CYS  57           HN       CYS  57  -2.042   5.745  -0.311
  477    HA   CYS  57           HA       CYS  57  -2.247   7.792  -2.413
  478   1HB   CYS  57          HB2       CYS  57  -4.030   5.385  -1.991
  479   2HB   CYS  57          HB1       CYS  57  -4.192   6.578  -3.275
  480    HG   CYS  57           HG       CYS  57  -2.321   3.865  -3.162
  481    H    LYS  58           HN       LYS  58  -2.679   9.529  -1.125
  482    HA   LYS  58           HA       LYS  58  -4.737   9.425   0.886
  483   1HB   LYS  58          HB2       LYS  58  -4.232  12.103   0.463
  484   2HB   LYS  58          HB1       LYS  58  -3.432  11.082   1.647
  485   1HG   LYS  58          HG2       LYS  58  -1.752  10.555  -0.211
  486   2HG   LYS  58          HG1       LYS  58  -2.457  11.937  -1.054
  487   1HD   LYS  58          HD2       LYS  58  -1.879  13.409   0.756
  488   2HD   LYS  58          HD1       LYS  58  -1.338  12.052   1.745
  489   1HE   LYS  58          HE2       LYS  58   0.620  13.061   0.890
  490   2HE   LYS  58          HE1       LYS  58   0.376  11.589  -0.049
  491   1HZ   LYS  58          HZ1       LYS  58  -0.617  12.945  -1.813
  492   2HZ   LYS  58          HZ2       LYS  58   0.975  13.418  -1.478
  493   3HZ   LYS  58          HZ3       LYS  58  -0.318  14.349  -0.908
  494    H    ASN  59           HN       ASN  59  -6.789   9.486   0.469
  495    HA   ASN  59           HA       ASN  59  -8.771   9.649  -0.613
  496   1HB   ASN  59          HB2       ASN  59  -8.438  12.071  -0.579
  497   2HB   ASN  59          HB1       ASN  59  -7.451  11.979  -2.033
  498   1HD2  ASN  59          HD21      ASN  59  -8.768  13.316  -3.213
  499   2HD2  ASN  59          HD22      ASN  59 -10.340  12.840  -3.763
  500    H    ILE  60           HN       ILE  60  -8.238   7.589  -1.469
  501    HA   ILE  60           HA       ILE  60  -7.042   7.305  -4.039
  502    HB   ILE  60           HB       ILE  60  -6.933   5.438  -2.534
  503   1HG1  ILE  60          HG12      ILE  60  -8.802   4.807  -4.830
  504   2HG1  ILE  60          HG11      ILE  60  -7.046   4.910  -4.930
  505   1HG2  ILE  60          HG21      ILE  60  -8.919   4.187  -1.815
  506   2HG2  ILE  60          HG22      ILE  60  -9.947   5.393  -2.592
  507   3HG2  ILE  60          HG23      ILE  60  -8.932   5.849  -1.224
  508   1HD1  ILE  60          HD11      ILE  60  -8.589   2.910  -3.292
  509   2HD1  ILE  60          HD12      ILE  60  -6.836   2.994  -3.460
  510   3HD1  ILE  60          HD13      ILE  60  -7.837   2.604  -4.858
  511    H    MET  61           HN       MET  61  -7.908   7.737  -5.926
  512    HA   MET  61           HA       MET  61  -9.357   7.921  -7.658
  513   1HB   MET  61          HB2       MET  61 -10.135   5.668  -6.826
  514   2HB   MET  61          HB1       MET  61 -11.390   6.509  -5.926
  515   1HG   MET  61          HG2       MET  61 -12.216   7.431  -8.078
  516   2HG   MET  61          HG1       MET  61 -11.046   6.408  -8.909
  517   1HE   MET  61          HE1       MET  61 -14.098   6.234  -9.631
  518   2HE   MET  61          HE2       MET  61 -14.344   4.489  -9.667
  519   3HE   MET  61          HE3       MET  61 -12.869   5.184 -10.338
  520    H    ASN  62           HN       ASN  62 -11.712   8.059  -5.030
  521    HA   ASN  62           HA       ASN  62 -11.818  10.818  -4.647
  522   1HB   ASN  62          HB2       ASN  62 -12.698  10.797  -7.016
  523   2HB   ASN  62          HB1       ASN  62 -14.058   9.838  -6.437
  524   1HD2  ASN  62          HD21      ASN  62 -12.573  12.964  -6.491
  525   2HD2  ASN  62          HD22      ASN  62 -13.913  13.835  -5.822
  526    H    THR  63           HN       THR  63 -11.942   9.958  -2.546
  527    HA   THR  63           HA       THR  63 -14.508   8.729  -1.823
  528    HB   THR  63           HB       THR  63 -13.276   6.985  -0.503
  529    HG1  THR  63           HG1      THR  63 -11.035   7.274  -2.128
  530   1HG2  THR  63          HG21      THR  63 -12.679   5.592  -2.485
  531   2HG2  THR  63          HG22      THR  63 -12.916   7.013  -3.495
  532   3HG2  THR  63          HG23      THR  63 -14.273   6.335  -2.592
  533    H    GLY  64           HN       GLY  64 -11.412  10.046  -0.733
  534   1HA   GLY  64          HA2       GLY  64 -11.120  11.467   1.141
  535   2HA   GLY  64          HA1       GLY  64 -12.686  10.940   1.750
  536    H    VAL  65           HN       VAL  65 -11.003   8.317   0.595
  537    HA   VAL  65           HA       VAL  65 -10.179   7.516   3.297
  538    HB   VAL  65           HB       VAL  65 -10.545   5.897   0.760
  539   1HG1  VAL  65          HG11      VAL  65  -9.696   4.973   3.503
  540   2HG1  VAL  65          HG12      VAL  65  -8.712   4.958   2.040
  541   3HG1  VAL  65          HG13      VAL  65 -10.130   3.917   2.159
  542   1HG2  VAL  65          HG21      VAL  65 -12.633   6.561   1.810
  543   2HG2  VAL  65          HG22      VAL  65 -12.073   5.914   3.353
  544   3HG2  VAL  65          HG23      VAL  65 -12.361   4.829   1.994
  545    H    ASP  66           HN       ASP  66  -8.121   7.304   3.842
  546    HA   ASP  66           HA       ASP  66  -6.079   7.867   1.828
  547   1HB   ASP  66          HB2       ASP  66  -5.786   7.693   4.838
  548   2HB   ASP  66          HB1       ASP  66  -4.583   8.286   3.698
  549    H    ILE  67           HN       ILE  67  -5.138   6.180   0.907
  550    HA   ILE  67           HA       ILE  67  -5.323   3.555   2.109
  551    HB   ILE  67           HB       ILE  67  -3.987   4.433  -0.459
  552   1HG1  ILE  67          HG12      ILE  67  -6.408   4.735  -0.508
  553   2HG1  ILE  67          HG11      ILE  67  -5.940   3.393  -1.545
  554   1HG2  ILE  67          HG21      ILE  67  -2.974   2.397   0.413
  555   2HG2  ILE  67          HG22      ILE  67  -3.919   2.061  -1.038
  556   3HG2  ILE  67          HG23      ILE  67  -4.566   1.651   0.550
  557   1HD1  ILE  67          HD11      ILE  67  -6.615   1.820   0.205
  558   2HD1  ILE  67          HD12      ILE  67  -7.946   2.863  -0.298
  559   3HD1  ILE  67          HD13      ILE  67  -7.105   3.176   1.220
  560    H    ILE  68           HN       ILE  68  -4.055   3.322   3.806
  561    HA   ILE  68           HA       ILE  68  -1.327   4.363   3.731
  562    HB   ILE  68           HB       ILE  68  -1.286   3.730   6.161
  563   1HG1  ILE  68          HG12      ILE  68  -4.248   3.301   5.721
  564   2HG1  ILE  68          HG11      ILE  68  -3.077   2.035   6.072
  565   1HG2  ILE  68          HG21      ILE  68  -1.712   6.013   5.440
  566   2HG2  ILE  68          HG22      ILE  68  -2.640   5.621   6.886
  567   3HG2  ILE  68          HG23      ILE  68  -3.436   5.663   5.311
  568   1HD1  ILE  68          HD11      ILE  68  -2.624   3.082   8.242
  569   2HD1  ILE  68          HD12      ILE  68  -4.315   2.618   8.055
  570   3HD1  ILE  68          HD13      ILE  68  -3.843   4.309   7.885
  571    H    CYS  69           HN       CYS  69   0.460   3.110   3.975
  572    HA   CYS  69           HA       CYS  69   0.068   0.215   3.760
  573   1HB   CYS  69          HB2       CYS  69   1.516   1.170   2.057
  574   2HB   CYS  69          HB1       CYS  69   2.516   1.927   3.292
  575    HG   CYS  69           HG       CYS  69   2.258  -1.399   2.578
  576    H    THR  70           HN       THR  70   0.981  -1.180   5.239
  577    HA   THR  70           HA       THR  70   1.785   0.112   7.760
  578    HB   THR  70           HB       THR  70  -0.465  -0.974   7.797
  579    HG1  THR  70           HG1      THR  70   0.593  -0.877   9.750
  580   1HG2  THR  70          HG21      THR  70  -0.593  -3.442   7.782
  581   2HG2  THR  70          HG22      THR  70   1.105  -3.509   7.309
  582   3HG2  THR  70          HG23      THR  70  -0.085  -2.786   6.223
  583    H    LYS  71           HN       LYS  71   3.141  -1.358   5.282
  584    HA   LYS  71           HA       LYS  71   4.749  -3.251   6.832
  585   1HB   LYS  71          HB2       LYS  71   3.803  -3.902   4.582
  586   2HB   LYS  71          HB1       LYS  71   4.873  -2.708   3.860
  587   1HG   LYS  71          HG2       LYS  71   5.894  -4.850   3.652
  588   2HG   LYS  71          HG1       LYS  71   6.804  -3.934   4.857
  589   1HD   LYS  71          HD2       LYS  71   5.482  -5.093   6.631
  590   2HD   LYS  71          HD1       LYS  71   4.744  -6.081   5.371
  591   1HE   LYS  71          HE2       LYS  71   6.544  -7.316   6.374
  592   2HE   LYS  71          HE1       LYS  71   6.998  -6.874   4.730
  593   1HZ   LYS  71          HZ1       LYS  71   8.400  -5.151   5.556
  594   2HZ   LYS  71          HZ2       LYS  71   8.782  -6.563   6.410
  595   3HZ   LYS  71          HZ3       LYS  71   7.844  -5.358   7.142
  596    H    ASN  72           HN       ASN  72   6.925  -2.951   7.177
  597    HA   ASN  72           HA       ASN  72   7.950  -0.269   6.617
  598   1HB   ASN  72          HB2       ASN  72   9.026  -2.512   8.345
  599   2HB   ASN  72          HB1       ASN  72   9.849  -0.976   8.108
  600   1HD2  ASN  72          HD21      ASN  72   6.380  -1.375   8.437
  601   2HD2  ASN  72          HD22      ASN  72   6.234  -0.561   9.957
  602    H    LEU  73           HN       LEU  73   8.942  -0.013   4.726
  603    HA   LEU  73           HA       LEU  73  10.299  -2.332   3.536
  604   1HB   LEU  73          HB2       LEU  73   9.456   0.291   2.300
  605   2HB   LEU  73          HB1       LEU  73  10.329  -0.968   1.451
  606    HG   LEU  73           HG       LEU  73   8.309  -2.473   2.068
  607   1HD1  LEU  73          HD11      LEU  73   7.091   0.265   2.384
  608   2HD1  LEU  73          HD12      LEU  73   7.227  -0.977   3.631
  609   3HD1  LEU  73          HD13      LEU  73   6.187  -1.241   2.230
  610   1HD2  LEU  73          HD21      LEU  73   8.867  -1.823  -0.193
  611   2HD2  LEU  73          HD22      LEU  73   8.098  -0.253   0.042
  612   3HD2  LEU  73          HD23      LEU  73   7.123  -1.723   0.050
  613    HA   PRO  74           HA       PRO  74  14.117  -0.187   4.506
  614   1HB   PRO  74          HB2       PRO  74  15.615  -2.493   3.887
  615   2HB   PRO  74          HB1       PRO  74  15.088  -1.977   5.489
  616   1HG   PRO  74          HG2       PRO  74  14.220  -4.256   4.085
  617   2HG   PRO  74          HG1       PRO  74  13.512  -3.594   5.563
  618   1HD   PRO  74          HD2       PRO  74  12.602  -3.338   2.753
  619   2HD   PRO  74          HD1       PRO  74  11.661  -3.307   4.259
  620    H    LYS  75           HN       LYS  75  15.998   0.428   3.302
  621    HA   LYS  75           HA       LYS  75  15.637   0.201   0.399
  622   1HB   LYS  75          HB2       LYS  75  17.477   2.066   1.908
  623   2HB   LYS  75          HB1       LYS  75  17.050   2.152   0.204
  624   1HG   LYS  75          HG2       LYS  75  14.703   2.599   0.875
  625   2HG   LYS  75          HG1       LYS  75  15.241   2.657   2.554
  626   1HD   LYS  75          HD2       LYS  75  16.772   4.499   1.971
  627   2HD   LYS  75          HD1       LYS  75  16.164   4.456   0.315
  628   1HE   LYS  75          HE2       LYS  75  13.902   4.950   1.163
  629   2HE   LYS  75          HE1       LYS  75  14.560   5.064   2.796
  630   1HZ   LYS  75          HZ1       LYS  75  14.424   7.251   2.006
  631   2HZ   LYS  75          HZ2       LYS  75  15.063   6.853   0.488
  632   3HZ   LYS  75          HZ3       LYS  75  16.065   6.851   1.854
  633    H    ASP  76           HN       ASP  76  18.258   0.322   2.733
  634    HA   ASP  76           HA       ASP  76  19.431  -2.109   1.717
  635   1HB   ASP  76          HB2       ASP  76  20.587   0.544   1.123
  636   2HB   ASP  76          HB1       ASP  76  21.720  -0.626   1.790
  637    H    SER  77           HN       SER  77  21.712  -2.284   2.992
  638    HA   SER  77           HA       SER  77  20.956  -2.386   5.735
  639   1HB   SER  77          HB2       SER  77  22.474  -4.031   4.563
  640   2HB   SER  77          HB1       SER  77  23.726  -2.789   4.586
  641    HG   SER  77           HG       SER  77  24.016  -3.087   6.668
  642    H    LEU  78           HN       LEU  78  22.686  -0.105   3.769
  643    HA   LEU  78           HA       LEU  78  23.089   1.578   6.133
  644   1HB   LEU  78          HB2       LEU  78  25.232   0.473   5.573
  645   2HB   LEU  78          HB1       LEU  78  25.148   1.164   3.963
  646    HG   LEU  78           HG       LEU  78  25.219   3.440   5.005
  647   1HD1  LEU  78          HD11      LEU  78  24.387   2.855   7.214
  648   2HD1  LEU  78          HD12      LEU  78  25.976   3.612   7.329
  649   3HD1  LEU  78          HD13      LEU  78  25.816   1.864   7.504
  650   1HD2  LEU  78          HD21      LEU  78  27.533   1.613   5.629
  651   2HD2  LEU  78          HD22      LEU  78  27.608   3.370   5.490
  652   3HD2  LEU  78          HD23      LEU  78  27.217   2.388   4.078
  653    H    GLU  79           HN       GLU  79  22.656   3.707   5.823
  654    HA   GLU  79           HA       GLU  79  22.031   4.579   3.080
  655   1HB   GLU  79          HB2       GLU  79  20.402   6.176   4.356
  656   2HB   GLU  79          HB1       GLU  79  19.920   4.521   4.024
  657   1HG   GLU  79          HG2       GLU  79  19.329   5.232   6.290
  658   2HG   GLU  79          HG1       GLU  79  20.439   3.866   6.289
  659    H    HIS  80           HN       HIS  80  24.265   4.877   5.319
  660    HA   HIS  80           HA       HIS  80  24.297   7.780   5.570
  661   1HB   HIS  80          HB2       HIS  80  25.187   5.572   7.201
  662   2HB   HIS  80          HB1       HIS  80  26.499   6.717   6.940
  663    HD1  HIS  80           HD1      HIS  80  22.896   6.704   8.158
  664    HD2  HIS  80           HD2      HIS  80  26.409   8.899   8.551
  665    HE1  HIS  80           HE1      HIS  80  22.436   8.417   9.943
  666    HE2  HIS  80           HE2      HIS  80  24.635   9.605  10.294
  667    H    HIS  81           HN       HIS  81  25.810   9.081   4.789
  668    HA   HIS  81           HA       HIS  81  28.123   7.891   3.401
  669   1HB   HIS  81          HB2       HIS  81  26.432  10.243   2.516
  670   2HB   HIS  81          HB1       HIS  81  28.018   9.886   1.842
  671    HD1  HIS  81           HD1      HIS  81  24.457   8.935   1.630
  672    HD2  HIS  81           HD2      HIS  81  28.120   7.457   0.311
  673    HE1  HIS  81           HE1      HIS  81  23.909   7.250  -0.151
  674    HE2  HIS  81           HE2      HIS  81  26.134   6.400  -0.979
  675    H    HIS  82           HN       HIS  82  30.058   8.712   3.981
  676    HA   HIS  82           HA       HIS  82  30.212  10.296   6.328
  677   1HB   HIS  82          HB2       HIS  82  32.324   9.420   4.354
  678   2HB   HIS  82          HB1       HIS  82  32.695  10.355   5.799
  679    HD1  HIS  82           HD1      HIS  82  33.739   8.807   7.410
  680    HD2  HIS  82           HD2      HIS  82  30.509   7.058   5.459
  681    HE1  HIS  82           HE1      HIS  82  33.483   6.522   8.430
  682    HE2  HIS  82           HE2      HIS  82  31.692   5.404   7.052
  683    H    HIS  83           HN       HIS  83  30.759  10.994   2.910
  684    HA   HIS  83           HA       HIS  83  30.816  13.852   3.618
  685   1HB   HIS  83          HB2       HIS  83  32.848  12.966   2.436
  686   2HB   HIS  83          HB1       HIS  83  31.822  12.598   1.054
  687    HD1  HIS  83           HD1      HIS  83  31.467  14.443  -0.596
  688    HD2  HIS  83           HD2      HIS  83  32.980  15.819   3.025
  689    HE1  HIS  83           HE1      HIS  83  31.974  16.881  -0.952
  690    HE2  HIS  83           HE2      HIS  83  33.084  17.632   1.180
  691    H    HIS  84           HN       HIS  84  28.730  14.402   3.586
  692    HA   HIS  84           HA       HIS  84  26.915  13.319   1.627
  693   1HB   HIS  84          HB2       HIS  84  25.241  14.856   2.720
  694   2HB   HIS  84          HB1       HIS  84  25.981  13.672   3.788
  695    HD1  HIS  84           HD1      HIS  84  26.938  14.545   5.893
  696    HD2  HIS  84           HD2      HIS  84  26.441  17.541   3.053
  697    HE1  HIS  84           HE1      HIS  84  27.478  16.698   7.075
  698    HE2  HIS  84           HE2      HIS  84  26.958  18.502   5.398
  699    H    HIS  85           HN       HIS  85  25.596  14.629   0.229
  700    HA   HIS  85           HA       HIS  85  25.287  16.082  -1.471
  701   1HB   HIS  85          HB2       HIS  85  25.333  17.805   0.321
  702   2HB   HIS  85          HB1       HIS  85  27.068  17.979   0.077
  703    HD1  HIS  85           HD1      HIS  85  23.875  18.309  -1.961
  704    HD2  HIS  85           HD2      HIS  85  27.713  19.890  -1.740
  705    HE1  HIS  85           HE1      HIS  85  23.944  20.162  -3.664
  706    HE2  HIS  85           HE2      HIS  85  26.338  20.955  -3.657
  Start of MODEL   11
    1   1H    MET   1          HT1       MET   1 -21.561  -7.315   7.165
    2   2H    MET   1          HT2       MET   1 -20.902  -5.948   6.407
    3   3H    MET   1          HT3       MET   1 -22.154  -6.809   5.656
    4    HA   MET   1           HA       MET   1 -23.668  -6.208   7.426
    5   1HB   MET   1          HB2       MET   1 -21.854  -5.979   9.146
    6   2HB   MET   1          HB1       MET   1 -21.392  -4.460   8.393
    7   1HG   MET   1          HG2       MET   1 -23.651  -3.580   8.878
    8   2HG   MET   1          HG1       MET   1 -24.015  -5.081   9.729
    9   1HE   MET   1          HE1       MET   1 -24.636  -3.887  11.964
   10   2HE   MET   1          HE2       MET   1 -24.401  -2.323  11.182
   11   3HE   MET   1          HE3       MET   1 -23.642  -2.655  12.739
   12    H    HIS   2           HN       HIS   2 -21.288  -3.686   6.591
   13    HA   HIS   2           HA       HIS   2 -22.929  -2.753   4.400
   14   1HB   HIS   2          HB2       HIS   2 -22.726  -1.248   6.967
   15   2HB   HIS   2          HB1       HIS   2 -22.620  -0.323   5.472
   16    HD1  HIS   2           HD1      HIS   2 -24.715  -0.821   3.753
   17    HD2  HIS   2           HD2      HIS   2 -25.272  -1.666   7.791
   18    HE1  HIS   2           HE1      HIS   2 -27.207  -0.960   4.087
   19    HE2  HIS   2           HE2      HIS   2 -27.525  -1.505   6.527
   20    H    LYS   3           HN       LYS   3 -20.387  -1.425   6.504
   21    HA   LYS   3           HA       LYS   3 -18.624  -1.366   4.151
   22   1HB   LYS   3          HB2       LYS   3 -18.910   0.711   6.322
   23   2HB   LYS   3          HB1       LYS   3 -17.576   0.681   5.176
   24   1HG   LYS   3          HG2       LYS   3 -19.279   0.824   3.346
   25   2HG   LYS   3          HG1       LYS   3 -20.493   1.105   4.595
   26   1HD   LYS   3          HD2       LYS   3 -19.348   3.093   5.319
   27   2HD   LYS   3          HD1       LYS   3 -18.021   2.780   4.199
   28   1HE   LYS   3          HE2       LYS   3 -19.559   3.033   2.312
   29   2HE   LYS   3          HE1       LYS   3 -20.882   3.346   3.437
   30   1HZ   LYS   3          HZ1       LYS   3 -19.926   5.387   2.499
   31   2HZ   LYS   3          HZ2       LYS   3 -18.430   5.007   3.203
   32   3HZ   LYS   3          HZ3       LYS   3 -19.775   5.324   4.189
   33    H    ASP   4           HN       ASP   4 -16.515  -1.945   4.457
   34    HA   ASP   4           HA       ASP   4 -15.676  -2.738   7.155
   35   1HB   ASP   4          HB2       ASP   4 -16.758  -4.684   5.873
   36   2HB   ASP   4          HB1       ASP   4 -15.355  -4.617   4.813
   37    H    ILE   5           HN       ILE   5 -13.368  -2.956   7.355
   38    HA   ILE   5           HA       ILE   5 -11.894  -1.080   5.856
   39    HB   ILE   5           HB       ILE   5 -10.950  -3.248   7.736
   40   1HG1  ILE   5          HG12      ILE   5 -12.344  -1.503   8.767
   41   2HG1  ILE   5          HG11      ILE   5 -10.680  -1.413   9.333
   42   1HG2  ILE   5          HG21      ILE   5  -9.144  -2.684   6.220
   43   2HG2  ILE   5          HG22      ILE   5  -8.816  -2.026   7.824
   44   3HG2  ILE   5          HG23      ILE   5  -9.388  -0.966   6.536
   45   1HD1  ILE   5          HD11      ILE   5 -11.952   0.360   7.260
   46   2HD1  ILE   5          HD12      ILE   5 -10.268   0.438   7.779
   47   3HD1  ILE   5          HD13      ILE   5 -11.564   0.794   8.925
   48    H    PHE   6           HN       PHE   6 -11.289  -1.317   3.823
   49    HA   PHE   6           HA       PHE   6 -10.902  -3.908   2.631
   50   1HB   PHE   6          HB2       PHE   6 -11.898  -2.095   1.321
   51   2HB   PHE   6          HB1       PHE   6 -10.438  -1.134   1.514
   52    HD1  PHE   6           HD1      PHE   6 -11.440  -4.519   0.291
   53    HD2  PHE   6           HD2      PHE   6  -8.963  -1.098  -0.241
   54    HE1  PHE   6           HE1      PHE   6 -10.526  -5.505  -1.771
   55    HE2  PHE   6           HE2      PHE   6  -8.046  -2.077  -2.303
   56    HZ   PHE   6           HZ       PHE   6  -8.827  -4.284  -3.070
   57    H    THR   7           HN       THR   7  -9.010  -4.864   2.052
   58    HA   THR   7           HA       THR   7  -6.484  -3.472   2.361
   59    HB   THR   7           HB       THR   7  -7.088  -5.981   3.952
   60    HG1  THR   7           HG1      THR   7  -7.556  -3.442   4.535
   61   1HG2  THR   7          HG21      THR   7  -4.585  -4.291   3.830
   62   2HG2  THR   7          HG22      THR   7  -4.774  -5.907   3.149
   63   3HG2  THR   7          HG23      THR   7  -4.847  -5.671   4.895
   64    H    SER   8           HN       SER   8  -5.025  -4.185   0.904
   65    HA   SER   8           HA       SER   8  -5.243  -6.840  -0.257
   66   1HB   SER   8          HB2       SER   8  -6.766  -5.318  -1.603
   67   2HB   SER   8          HB1       SER   8  -5.328  -4.395  -2.044
   68    HG   SER   8           HG       SER   8  -6.233  -6.804  -2.999
   69    H    VAL   9           HN       VAL   9  -3.447  -6.661  -2.273
   70    HA   VAL   9           HA       VAL   9  -1.090  -5.357  -1.084
   71    HB   VAL   9           HB       VAL   9   0.302  -7.241  -1.967
   72   1HG1  VAL   9          HG11      VAL   9  -1.777  -7.993   0.085
   73   2HG1  VAL   9          HG12      VAL   9  -0.278  -7.117   0.392
   74   3HG1  VAL   9          HG13      VAL   9  -0.223  -8.794  -0.149
   75   1HG2  VAL   9          HG21      VAL   9  -0.799  -9.381  -2.464
   76   2HG2  VAL   9          HG22      VAL   9  -1.245  -8.127  -3.623
   77   3HG2  VAL   9          HG23      VAL   9  -2.372  -8.589  -2.347
   78    H    VAL  10           HN       VAL  10   0.227  -4.276  -2.463
   79    HA   VAL  10           HA       VAL  10  -0.501  -4.362  -5.318
   80    HB   VAL  10           HB       VAL  10  -1.161  -2.230  -4.231
   81   1HG1  VAL  10          HG11      VAL  10   0.576  -2.107  -2.532
   82   2HG1  VAL  10          HG12      VAL  10   0.545  -0.639  -3.512
   83   3HG1  VAL  10          HG13      VAL  10   1.795  -1.857  -3.782
   84   1HG2  VAL  10          HG21      VAL  10   1.054  -1.999  -6.260
   85   2HG2  VAL  10          HG22      VAL  10  -0.104  -0.732  -5.863
   86   3HG2  VAL  10          HG23      VAL  10  -0.662  -2.236  -6.595
   87    H    ARG  11           HN       ARG  11   1.209  -4.120  -6.821
   88    HA   ARG  11           HA       ARG  11   3.656  -5.324  -5.875
   89   1HB   ARG  11          HB2       ARG  11   2.807  -4.554  -8.673
   90   2HB   ARG  11          HB1       ARG  11   4.244  -5.482  -8.261
   91   1HG   ARG  11          HG2       ARG  11   2.792  -7.212  -7.259
   92   2HG   ARG  11          HG1       ARG  11   1.385  -6.300  -7.807
   93   1HD   ARG  11          HD2       ARG  11   2.135  -6.544 -10.123
   94   2HD   ARG  11          HD1       ARG  11   3.542  -7.457  -9.573
   95    HE   ARG  11           HE       ARG  11   0.760  -8.370  -9.166
   96   1HH1  ARG  11          HH11      ARG  11   4.083  -8.961 -10.083
   97   2HH1  ARG  11          HH12      ARG  11   3.880 -10.677 -10.232
   98   1HH2  ARG  11          HH21      ARG  11   0.485 -10.628  -9.352
   99   2HH2  ARG  11          HH22      ARG  11   1.829 -11.630  -9.798
  100    H    VAL  12           HN       VAL  12   5.302  -4.214  -5.214
  101    HA   VAL  12           HA       VAL  12   5.497  -1.371  -5.778
  102    HB   VAL  12           HB       VAL  12   7.300  -3.053  -4.027
  103   1HG1  VAL  12          HG11      VAL  12   7.796  -0.923  -2.933
  104   2HG1  VAL  12          HG12      VAL  12   6.761  -0.090  -4.093
  105   3HG1  VAL  12          HG13      VAL  12   8.232  -0.893  -4.641
  106   1HG2  VAL  12          HG21      VAL  12   4.818  -1.523  -3.270
  107   2HG2  VAL  12          HG22      VAL  12   5.939  -2.285  -2.142
  108   3HG2  VAL  12          HG23      VAL  12   5.007  -3.276  -3.263
  109    H    ARG  13           HN       ARG  13   7.077  -0.447  -6.962
  110    HA   ARG  13           HA       ARG  13   8.714  -2.251  -8.576
  111   1HB   ARG  13          HB2       ARG  13   7.262  -0.758  -9.811
  112   2HB   ARG  13          HB1       ARG  13   7.891   0.633  -8.944
  113   1HG   ARG  13          HG2       ARG  13   9.957   0.521 -10.060
  114   2HG   ARG  13          HG1       ARG  13   9.619  -1.096 -10.681
  115   1HD   ARG  13          HD2       ARG  13   9.378   0.738 -12.357
  116   2HD   ARG  13          HD1       ARG  13   7.950  -0.270 -12.156
  117    HE   ARG  13           HE       ARG  13   6.838   1.523 -11.149
  118   1HH1  ARG  13          HH11      ARG  13  10.150   2.372 -11.869
  119   2HH1  ARG  13          HH12      ARG  13   9.852   4.084 -11.882
  120   1HH2  ARG  13          HH21      ARG  13   6.424   3.779 -11.175
  121   2HH2  ARG  13          HH22      ARG  13   7.732   4.886 -11.489
  122    H    GLY  14           HN       GLY  14  10.953  -1.905  -8.854
  123   1HA   GLY  14          HA2       GLY  14  12.825  -0.299  -8.449
  124   2HA   GLY  14          HA1       GLY  14  12.169  -0.120  -6.828
  125    H    SER  15           HN       SER  15  14.757  -0.765  -7.030
  126    HA   SER  15           HA       SER  15  15.070  -3.653  -6.890
  127   1HB   SER  15          HB2       SER  15  17.543  -2.705  -6.422
  128   2HB   SER  15          HB1       SER  15  16.871  -2.855  -8.048
  129    HG   SER  15           HG       SER  15  17.600  -0.624  -6.700
  130    H    LYS  16           HN       LYS  16  13.627  -2.108  -4.812
  131    HA   LYS  16           HA       LYS  16  15.181  -2.157  -2.428
  132   1HB   LYS  16          HB2       LYS  16  13.138  -1.704  -1.259
  133   2HB   LYS  16          HB1       LYS  16  13.128  -0.766  -2.740
  134   1HG   LYS  16          HG2       LYS  16  11.468  -3.160  -2.018
  135   2HG   LYS  16          HG1       LYS  16  10.945  -1.552  -2.517
  136   1HD   LYS  16          HD2       LYS  16  11.959  -2.031  -4.765
  137   2HD   LYS  16          HD1       LYS  16  12.212  -3.688  -4.223
  138   1HE   LYS  16          HE2       LYS  16   9.726  -3.779  -3.776
  139   2HE   LYS  16          HE1       LYS  16   9.608  -2.256  -4.661
  140   1HZ   LYS  16          HZ1       LYS  16   9.218  -3.951  -6.233
  141   2HZ   LYS  16          HZ2       LYS  16  10.517  -4.887  -5.679
  142   3HZ   LYS  16          HZ3       LYS  16  10.815  -3.450  -6.519
  143    H    LYS  17           HN       LYS  17  14.203  -3.564  -0.498
  144    HA   LYS  17           HA       LYS  17  14.877  -6.248  -1.362
  145   1HB   LYS  17          HB2       LYS  17  14.582  -5.010   1.372
  146   2HB   LYS  17          HB1       LYS  17  14.980  -6.706   1.109
  147   1HG   LYS  17          HG2       LYS  17  16.977  -6.003  -0.161
  148   2HG   LYS  17          HG1       LYS  17  16.595  -4.324   0.224
  149   1HD   LYS  17          HD2       LYS  17  16.859  -4.764   2.580
  150   2HD   LYS  17          HD1       LYS  17  17.104  -6.484   2.265
  151   1HE   LYS  17          HE2       LYS  17  19.231  -5.384   2.669
  152   2HE   LYS  17          HE1       LYS  17  19.139  -5.949   1.002
  153   1HZ   LYS  17          HZ1       LYS  17  20.068  -3.717   1.166
  154   2HZ   LYS  17          HZ2       LYS  17  18.649  -3.158   1.903
  155   3HZ   LYS  17          HZ3       LYS  17  18.613  -3.705   0.295
  156    H    TYR  18           HN       TYR  18  12.179  -5.113  -1.889
  157    HA   TYR  18           HA       TYR  18  10.753  -7.498  -1.054
  158   1HB   TYR  18          HB2       TYR  18  10.049  -4.774  -0.164
  159   2HB   TYR  18          HB1       TYR  18   8.710  -5.729  -0.794
  160    HD1  TYR  18           HD1      TYR  18   9.008  -8.358   0.122
  161    HD2  TYR  18           HD2      TYR  18  10.125  -4.783   2.135
  162    HE1  TYR  18           HE1      TYR  18   8.795  -9.516   2.281
  163    HE2  TYR  18           HE2      TYR  18   9.925  -5.933   4.298
  164    HH   TYR  18           HH       TYR  18   9.677  -9.284   4.606
  165    H    ASN  19           HN       ASN  19   8.408  -7.310  -2.128
  166    HA   ASN  19           HA       ASN  19   8.768  -6.263  -4.843
  167   1HB   ASN  19          HB2       ASN  19   7.720  -8.290  -5.769
  168   2HB   ASN  19          HB1       ASN  19   9.235  -8.643  -4.950
  169   1HD2  ASN  19          HD21      ASN  19   6.899 -10.313  -5.593
  170   2HD2  ASN  19          HD22      ASN  19   6.411 -11.021  -4.084
  171    H    VAL  20           HN       VAL  20   6.557  -7.195  -2.287
  172    HA   VAL  20           HA       VAL  20   4.536  -5.462  -3.517
  173    HB   VAL  20           HB       VAL  20   2.748  -7.011  -2.737
  174   1HG1  VAL  20          HG11      VAL  20   4.689  -8.183  -4.725
  175   2HG1  VAL  20          HG12      VAL  20   3.426  -7.004  -5.071
  176   3HG1  VAL  20          HG13      VAL  20   2.992  -8.633  -4.557
  177   1HG2  VAL  20          HG21      VAL  20   5.046  -8.910  -2.277
  178   2HG2  VAL  20          HG22      VAL  20   3.336  -9.342  -2.234
  179   3HG2  VAL  20          HG23      VAL  20   3.993  -8.221  -1.041
  180    H    VAL  21           HN       VAL  21   3.214  -4.334  -2.090
  181    HA   VAL  21           HA       VAL  21   3.766  -4.721   0.779
  182    HB   VAL  21           HB       VAL  21   4.807  -2.625  -0.029
  183   1HG1  VAL  21          HG11      VAL  21   1.988  -1.758  -0.655
  184   2HG1  VAL  21          HG12      VAL  21   3.267  -2.065  -1.829
  185   3HG1  VAL  21          HG13      VAL  21   3.418  -0.726  -0.690
  186   1HG2  VAL  21          HG21      VAL  21   3.828  -1.133   1.674
  187   2HG2  VAL  21          HG22      VAL  21   4.112  -2.766   2.277
  188   3HG2  VAL  21          HG23      VAL  21   2.479  -2.255   1.848
  189    HA   PRO  22           HA       PRO  22  -0.692  -5.135   1.013
  190   1HB   PRO  22          HB2       PRO  22  -0.876  -5.199   3.721
  191   2HB   PRO  22          HB1       PRO  22  -0.356  -6.588   2.762
  192   1HG   PRO  22          HG2       PRO  22   1.287  -4.612   4.287
  193   2HG   PRO  22          HG1       PRO  22   1.483  -6.368   4.158
  194   1HD   PRO  22          HD2       PRO  22   2.978  -4.595   2.739
  195   2HD   PRO  22          HD1       PRO  22   2.583  -6.222   2.147
  196    H    VAL  23           HN       VAL  23  -1.975  -3.481   0.662
  197    HA   VAL  23           HA       VAL  23  -1.588  -0.990   2.172
  198    HB   VAL  23           HB       VAL  23  -2.864   0.119   0.362
  199   1HG1  VAL  23          HG11      VAL  23  -0.461  -1.436  -0.590
  200   2HG1  VAL  23          HG12      VAL  23  -0.429   0.096   0.289
  201   3HG1  VAL  23          HG13      VAL  23  -1.107   0.025  -1.337
  202   1HG2  VAL  23          HG21      VAL  23  -3.257  -1.072  -1.749
  203   2HG2  VAL  23          HG22      VAL  23  -4.178  -1.772  -0.418
  204   3HG2  VAL  23          HG23      VAL  23  -2.716  -2.573  -0.996
  205    H    LYS  24           HN       LYS  24  -3.285  -0.096   3.279
  206    HA   LYS  24           HA       LYS  24  -5.813  -1.590   3.235
  207   1HB   LYS  24          HB2       LYS  24  -5.976  -1.128   5.722
  208   2HB   LYS  24          HB1       LYS  24  -4.800  -2.338   5.239
  209   1HG   LYS  24          HG2       LYS  24  -3.030  -1.096   5.911
  210   2HG   LYS  24          HG1       LYS  24  -3.808   0.433   5.503
  211   1HD   LYS  24          HD2       LYS  24  -3.461   0.124   7.936
  212   2HD   LYS  24          HD1       LYS  24  -5.156   0.341   7.494
  213   1HE   LYS  24          HE2       LYS  24  -5.080  -1.399   9.100
  214   2HE   LYS  24          HE1       LYS  24  -5.384  -2.161   7.542
  215   1HZ   LYS  24          HZ1       LYS  24  -3.773  -3.461   8.621
  216   2HZ   LYS  24          HZ2       LYS  24  -2.854  -2.113   9.086
  217   3HZ   LYS  24          HZ3       LYS  24  -2.920  -2.574   7.457
  218    H    SER  25           HN       SER  25  -7.597  -0.341   4.286
  219    HA   SER  25           HA       SER  25  -7.356   2.523   3.662
  220   1HB   SER  25          HB2       SER  25  -9.892   0.908   3.983
  221   2HB   SER  25          HB1       SER  25  -9.729   2.522   3.287
  222    HG   SER  25           HG       SER  25  -8.152   0.680   2.042
  223    H    ASN  26           HN       ASN  26  -7.666   3.984   5.292
  224    HA   ASN  26           HA       ASN  26  -7.569   2.792   7.934
  225   1HB   ASN  26          HB2       ASN  26  -6.861   4.887   8.770
  226   2HB   ASN  26          HB1       ASN  26  -6.077   4.707   7.207
  227   1HD2  ASN  26          HD21      ASN  26  -6.720   6.030   5.491
  228   2HD2  ASN  26          HD22      ASN  26  -7.624   7.487   5.763
  229    H    LYS  27           HN       LYS  27  -9.956   3.900   5.922
  230    HA   LYS  27           HA       LYS  27 -11.841   3.968   8.166
  231   1HB   LYS  27          HB2       LYS  27 -11.613   5.900   5.877
  232   2HB   LYS  27          HB1       LYS  27 -13.175   5.609   6.633
  233   1HG   LYS  27          HG2       LYS  27 -12.514   6.522   8.658
  234   2HG   LYS  27          HG1       LYS  27 -10.800   6.294   8.317
  235   1HD   LYS  27          HD2       LYS  27 -12.576   8.251   6.864
  236   2HD   LYS  27          HD1       LYS  27 -11.549   8.669   8.238
  237   1HE   LYS  27          HE2       LYS  27  -9.641   7.650   6.852
  238   2HE   LYS  27          HE1       LYS  27 -10.751   7.775   5.492
  239   1HZ   LYS  27          HZ1       LYS  27  -9.832  10.025   7.198
  240   2HZ   LYS  27          HZ2       LYS  27 -10.919  10.157   5.902
  241   3HZ   LYS  27          HZ3       LYS  27  -9.307   9.694   5.616
  242    HA   PRO  28           HA       PRO  28 -13.800   0.588   6.299
  243   1HB   PRO  28          HB2       PRO  28 -16.396   1.955   6.811
  244   2HB   PRO  28          HB1       PRO  28 -15.845   0.351   7.312
  245   1HG   PRO  28          HG2       PRO  28 -15.943   2.334   9.070
  246   2HG   PRO  28          HG1       PRO  28 -14.587   1.192   9.076
  247   1HD   PRO  28          HD2       PRO  28 -14.699   3.988   8.028
  248   2HD   PRO  28          HD1       PRO  28 -13.395   3.167   8.911
  249    H    VAL  29           HN       VAL  29 -14.394  -0.097   4.373
  250    HA   VAL  29           HA       VAL  29 -15.096   1.914   2.347
  251    HB   VAL  29           HB       VAL  29 -13.906  -0.830   1.939
  252   1HG1  VAL  29          HG11      VAL  29 -13.298   0.061  -0.284
  253   2HG1  VAL  29          HG12      VAL  29 -14.211   1.524   0.087
  254   3HG1  VAL  29          HG13      VAL  29 -15.040  -0.029  -0.023
  255   1HG2  VAL  29          HG21      VAL  29 -12.518   1.843   2.069
  256   2HG2  VAL  29          HG22      VAL  29 -11.765   0.323   1.585
  257   3HG2  VAL  29          HG23      VAL  29 -12.373   0.523   3.233
  258    H    GLU  30           HN       GLU  30 -16.814   1.578   0.977
  259    HA   GLU  30           HA       GLU  30 -18.927  -0.110   1.845
  260   1HB   GLU  30          HB2       GLU  30 -18.802   2.142   0.344
  261   2HB   GLU  30          HB1       GLU  30 -18.968   0.942  -0.928
  262   1HG   GLU  30          HG2       GLU  30 -20.842   1.183   1.409
  263   2HG   GLU  30          HG1       GLU  30 -21.102   1.953  -0.154
  264    H    ILE  31           HN       ILE  31 -19.716  -2.019   0.927
  265    HA   ILE  31           HA       ILE  31 -17.551  -3.689   0.063
  266    HB   ILE  31           HB       ILE  31 -19.218  -5.534   0.212
  267   1HG1  ILE  31          HG12      ILE  31 -21.044  -3.314   1.165
  268   2HG1  ILE  31          HG11      ILE  31 -21.241  -4.247  -0.314
  269   1HG2  ILE  31          HG21      ILE  31 -17.788  -4.934   2.083
  270   2HG2  ILE  31          HG22      ILE  31 -19.377  -5.442   2.654
  271   3HG2  ILE  31          HG23      ILE  31 -18.962  -3.729   2.613
  272   1HD1  ILE  31          HD11      ILE  31 -21.371  -5.339   2.488
  273   2HD1  ILE  31          HD12      ILE  31 -21.579  -6.270   1.004
  274   3HD1  ILE  31          HD13      ILE  31 -22.747  -5.018   1.431
  275    H    SER  32           HN       SER  32 -19.198  -1.704  -1.817
  276    HA   SER  32           HA       SER  32 -18.900  -3.574  -4.068
  277   1HB   SER  32          HB2       SER  32 -20.703  -2.425  -5.266
  278   2HB   SER  32          HB1       SER  32 -21.293  -3.068  -3.736
  279    HG   SER  32           HG       SER  32 -21.254  -1.018  -2.862
  280    H    LYS  33           HN       LYS  33 -17.656  -0.954  -2.554
  281    HA   LYS  33           HA       LYS  33 -17.032   0.528  -5.007
  282   1HB   LYS  33          HB2       LYS  33 -17.970   1.767  -3.064
  283   2HB   LYS  33          HB1       LYS  33 -16.558   1.310  -2.125
  284   1HG   LYS  33          HG2       LYS  33 -16.362   3.586  -2.932
  285   2HG   LYS  33          HG1       LYS  33 -15.125   2.559  -3.660
  286   1HD   LYS  33          HD2       LYS  33 -16.534   2.350  -5.679
  287   2HD   LYS  33          HD1       LYS  33 -17.700   3.460  -4.954
  288   1HE   LYS  33          HE2       LYS  33 -15.967   5.195  -4.855
  289   2HE   LYS  33          HE1       LYS  33 -14.819   4.083  -5.597
  290   1HZ   LYS  33          HZ1       LYS  33 -16.160   4.035  -7.590
  291   2HZ   LYS  33          HZ2       LYS  33 -15.800   5.644  -7.193
  292   3HZ   LYS  33          HZ3       LYS  33 -17.337   5.026  -6.869
  293    H    TRP  34           HN       TRP  34 -15.675  -1.705  -2.825
  294    HA   TRP  34           HA       TRP  34 -12.952  -0.976  -2.969
  295   1HB   TRP  34          HB2       TRP  34 -12.470  -3.271  -2.244
  296   2HB   TRP  34          HB1       TRP  34 -13.771  -2.564  -1.292
  297    HD1  TRP  34           HD1      TRP  34 -16.224  -3.583  -1.619
  298    HE1  TRP  34           HE1      TRP  34 -17.038  -5.836  -2.557
  299    HE3  TRP  34           HE3      TRP  34 -11.947  -5.057  -4.003
  300    HZ2  TRP  34           HZ2      TRP  34 -15.999  -7.961  -4.097
  301    HZ3  TRP  34           HZ3      TRP  34 -11.941  -7.215  -5.186
  302    HH2  TRP  34           HH2      TRP  34 -13.928  -8.636  -5.230
  303    H    ILE  35           HN       ILE  35 -15.076  -2.433  -5.223
  304    HA   ILE  35           HA       ILE  35 -13.254  -3.781  -6.888
  305    HB   ILE  35           HB       ILE  35 -15.818  -2.376  -7.664
  306   1HG1  ILE  35          HG12      ILE  35 -15.340  -5.270  -6.915
  307   2HG1  ILE  35          HG11      ILE  35 -16.081  -4.069  -5.863
  308   1HG2  ILE  35          HG21      ILE  35 -15.839  -3.909  -9.574
  309   2HG2  ILE  35          HG22      ILE  35 -14.279  -4.557  -9.070
  310   3HG2  ILE  35          HG23      ILE  35 -14.408  -2.876  -9.593
  311   1HD1  ILE  35          HD11      ILE  35 -17.178  -5.060  -8.484
  312   2HD1  ILE  35          HD12      ILE  35 -17.914  -3.816  -7.473
  313   3HD1  ILE  35          HD13      ILE  35 -17.768  -5.468  -6.873
  314    H    ASP  36           HN       ASP  36 -14.463  -0.454  -6.899
  315    HA   ASP  36           HA       ASP  36 -13.055   0.525  -9.103
  316   1HB   ASP  36          HB2       ASP  36 -13.753   1.975  -6.532
  317   2HB   ASP  36          HB1       ASP  36 -13.304   2.749  -8.046
  318    H    PHE  37           HN       PHE  37 -12.182   0.418  -5.680
  319    HA   PHE  37           HA       PHE  37  -9.754   1.795  -5.931
  320   1HB   PHE  37          HB2       PHE  37 -10.648  -0.146  -3.799
  321   2HB   PHE  37          HB1       PHE  37  -9.256   0.927  -3.669
  322    HD1  PHE  37           HD1      PHE  37 -10.182   3.430  -4.713
  323    HD2  PHE  37           HD2      PHE  37 -12.258   0.591  -2.327
  324    HE1  PHE  37           HE1      PHE  37 -11.629   5.218  -3.849
  325    HE2  PHE  37           HE2      PHE  37 -13.713   2.377  -1.466
  326    HZ   PHE  37           HZ       PHE  37 -13.401   4.694  -2.228
  327    H    SER  38           HN       SER  38 -10.439  -1.694  -5.935
  328    HA   SER  38           HA       SER  38  -7.746  -2.516  -5.930
  329   1HB   SER  38          HB2       SER  38  -8.718  -4.660  -6.960
  330   2HB   SER  38          HB1       SER  38  -9.323  -4.175  -5.377
  331    HG   SER  38           HG       SER  38 -11.207  -3.588  -6.250
  332    H    ASN  39           HN       ASN  39  -9.932  -1.658  -8.560
  333    HA   ASN  39           HA       ASN  39  -8.190  -2.401 -10.668
  334   1HB   ASN  39          HB2       ASN  39 -10.584  -0.610 -10.470
  335   2HB   ASN  39          HB1       ASN  39  -9.600  -0.579 -11.930
  336   1HD2  ASN  39          HD21      ASN  39 -11.721  -2.491  -9.941
  337   2HD2  ASN  39          HD22      ASN  39 -12.017  -3.732 -11.112
  338    H    VAL  40           HN       VAL  40  -8.583   0.556  -8.798
  339    HA   VAL  40           HA       VAL  40  -6.731   2.107 -10.291
  340    HB   VAL  40           HB       VAL  40  -7.583   2.409  -7.402
  341   1HG1  VAL  40          HG11      VAL  40  -6.810   4.729  -7.627
  342   2HG1  VAL  40          HG12      VAL  40  -6.201   4.363  -9.242
  343   3HG1  VAL  40          HG13      VAL  40  -5.491   3.578  -7.831
  344   1HG2  VAL  40          HG21      VAL  40  -9.101   4.128  -8.272
  345   2HG2  VAL  40          HG22      VAL  40  -9.457   2.538  -8.944
  346   3HG2  VAL  40          HG23      VAL  40  -8.597   3.732  -9.915
  347    H    LEU  41           HN       LEU  41  -6.455   0.098  -7.384
  348    HA   LEU  41           HA       LEU  41  -3.759   0.623  -6.801
  349   1HB   LEU  41          HB2       LEU  41  -5.384  -1.863  -6.258
  350   2HB   LEU  41          HB1       LEU  41  -3.823  -1.513  -5.542
  351    HG   LEU  41           HG       LEU  41  -6.333   0.115  -5.140
  352   1HD1  LEU  41          HD11      LEU  41  -6.265  -0.762  -2.855
  353   2HD1  LEU  41          HD12      LEU  41  -4.893  -1.781  -3.289
  354   3HD1  LEU  41          HD13      LEU  41  -6.465  -2.052  -4.041
  355   1HD2  LEU  41          HD21      LEU  41  -3.601   0.356  -3.886
  356   2HD2  LEU  41          HD22      LEU  41  -5.030   1.279  -3.421
  357   3HD2  LEU  41          HD23      LEU  41  -4.326   1.488  -5.027
  358    H    SER  42           HN       SER  42  -5.213  -1.381  -9.210
  359    HA   SER  42           HA       SER  42  -3.027  -3.086  -9.748
  360   1HB   SER  42          HB2       SER  42  -5.193  -2.111 -11.626
  361   2HB   SER  42          HB1       SER  42  -4.134  -3.493 -11.905
  362    HG   SER  42           HG       SER  42  -5.845  -3.278  -9.643
  363    H    ARG  43           HN       ARG  43  -3.517   0.250 -10.332
  364    HA   ARG  43           HA       ARG  43  -1.391   0.335 -12.367
  365   1HB   ARG  43          HB2       ARG  43  -3.350   2.451 -11.455
  366   2HB   ARG  43          HB1       ARG  43  -2.098   2.703 -12.660
  367   1HG   ARG  43          HG2       ARG  43  -4.312   0.690 -12.929
  368   2HG   ARG  43          HG1       ARG  43  -4.362   2.322 -13.593
  369   1HD   ARG  43          HD2       ARG  43  -2.135   1.675 -14.734
  370   2HD   ARG  43          HD1       ARG  43  -2.615   0.015 -14.374
  371    HE   ARG  43           HE       ARG  43  -4.521   1.729 -15.771
  372   1HH1  ARG  43          HH11      ARG  43  -2.191  -0.886 -15.950
  373   2HH1  ARG  43          HH12      ARG  43  -2.827  -1.512 -17.443
  374   1HH2  ARG  43          HH21      ARG  43  -5.313   0.966 -17.736
  375   2HH2  ARG  43          HH22      ARG  43  -4.603  -0.440 -18.476
  376    H    LEU  44           HN       LEU  44  -1.624   0.388  -9.113
  377    HA   LEU  44           HA       LEU  44  -0.202   2.853  -8.584
  378   1HB   LEU  44          HB2       LEU  44  -2.060   1.956  -7.143
  379   2HB   LEU  44          HB1       LEU  44  -0.966   0.686  -6.634
  380    HG   LEU  44           HG       LEU  44   0.563   2.425  -5.723
  381   1HD1  LEU  44          HD11      LEU  44  -0.277   4.697  -5.439
  382   2HD1  LEU  44          HD12      LEU  44  -1.719   4.285  -6.367
  383   3HD1  LEU  44          HD13      LEU  44  -0.137   4.279  -7.146
  384   1HD2  LEU  44          HD21      LEU  44  -1.013   1.270  -4.273
  385   2HD2  LEU  44          HD22      LEU  44  -2.256   2.461  -4.659
  386   3HD2  LEU  44          HD23      LEU  44  -0.814   2.950  -3.769
  387    H    TYR  45           HN       TYR  45   1.431   1.497 -10.145
  388    HA   TYR  45           HA       TYR  45   3.300  -0.096  -8.651
  389   1HB   TYR  45          HB2       TYR  45   3.167   0.946 -11.446
  390   2HB   TYR  45          HB1       TYR  45   4.725   0.427 -10.814
  391    HD1  TYR  45           HD2      TYR  45   1.220  -0.746 -11.318
  392    HD2  TYR  45           HD1      TYR  45   5.311  -1.824 -10.833
  393    HE1  TYR  45           HE2      TYR  45   0.658  -3.086 -11.833
  394    HE2  TYR  45           HE1      TYR  45   4.757  -4.165 -11.342
  395    HH   TYR  45           HH       TYR  45   1.728  -5.109 -12.635
  396    H    VAL  46           HN       VAL  46   3.566   1.470  -6.931
  397    HA   VAL  46           HA       VAL  46   5.174   3.813  -7.527
  398    HB   VAL  46           HB       VAL  46   5.171   4.169  -5.066
  399   1HG1  VAL  46          HG11      VAL  46   2.465   3.704  -6.310
  400   2HG1  VAL  46          HG12      VAL  46   3.438   5.172  -6.433
  401   3HG1  VAL  46          HG13      VAL  46   2.776   4.680  -4.873
  402   1HG2  VAL  46          HG21      VAL  46   3.707   2.781  -3.657
  403   2HG2  VAL  46          HG22      VAL  46   5.056   1.858  -4.320
  404   3HG2  VAL  46          HG23      VAL  46   3.446   1.692  -5.022
  405    H    GLY  47           HN       GLY  47   7.313   4.123  -6.753
  406   1HA   GLY  47          HA2       GLY  47   8.718   1.567  -6.293
  407   2HA   GLY  47          HA1       GLY  47   9.365   2.863  -7.282
  408    H    VAL  48           HN       VAL  48   7.866   2.816  -4.102
  409    HA   VAL  48           HA       VAL  48  10.325   3.974  -2.988
  410    HB   VAL  48           HB       VAL  48   7.522   4.912  -2.336
  411   1HG1  VAL  48          HG11      VAL  48   9.005   5.015  -0.413
  412   2HG1  VAL  48          HG12      VAL  48   8.638   6.636  -1.001
  413   3HG1  VAL  48          HG13      VAL  48  10.199   5.900  -1.361
  414   1HG2  VAL  48          HG21      VAL  48   8.208   5.696  -4.532
  415   2HG2  VAL  48          HG22      VAL  48   9.721   6.304  -3.861
  416   3HG2  VAL  48          HG23      VAL  48   8.188   7.032  -3.381
  417    HA   PRO  49           HA       PRO  49   9.557   0.613  -0.024
  418   1HB   PRO  49          HB2       PRO  49  12.020   1.774   1.121
  419   2HB   PRO  49          HB1       PRO  49  11.674   0.104   0.663
  420   1HG   PRO  49          HG2       PRO  49  13.328   1.652  -0.776
  421   2HG   PRO  49          HG1       PRO  49  12.278   0.444  -1.537
  422   1HD   PRO  49          HD2       PRO  49  11.963   3.408  -1.390
  423   2HD   PRO  49          HD1       PRO  49  11.578   2.299  -2.721
  424    H    THR  50           HN       THR  50   7.875   1.334   1.182
  425    HA   THR  50           HA       THR  50   8.133   3.830   2.658
  426    HB   THR  50           HB       THR  50   5.673   3.458   3.099
  427    HG1  THR  50           HG1      THR  50   5.845   1.134   2.560
  428   1HG2  THR  50          HG21      THR  50   6.465   4.982   1.360
  429   2HG2  THR  50          HG22      THR  50   5.009   4.139   0.829
  430   3HG2  THR  50          HG23      THR  50   6.589   3.641   0.223
  431    H    LYS  51           HN       LYS  51   6.929   3.867   4.800
  432    HA   LYS  51           HA       LYS  51   7.837   1.652   6.495
  433   1HB   LYS  51          HB2       LYS  51   6.763   4.385   7.216
  434   2HB   LYS  51          HB1       LYS  51   7.413   3.208   8.348
  435   1HG   LYS  51          HG2       LYS  51   8.967   4.538   6.136
  436   2HG   LYS  51          HG1       LYS  51   9.012   4.995   7.838
  437   1HD   LYS  51          HD2       LYS  51   9.829   2.712   8.373
  438   2HD   LYS  51          HD1       LYS  51   9.888   2.367   6.643
  439   1HE   LYS  51          HE2       LYS  51  11.517   4.124   6.313
  440   2HE   LYS  51          HE1       LYS  51  11.404   4.589   8.008
  441   1HZ   LYS  51          HZ1       LYS  51  12.202   2.311   8.558
  442   2HZ   LYS  51          HZ2       LYS  51  13.338   3.271   7.748
  443   3HZ   LYS  51          HZ3       LYS  51  12.501   2.060   6.909
  444    H    SER  52           HN       SER  52   5.872   2.360   8.533
  445    HA   SER  52           HA       SER  52   3.447   1.266   7.296
  446   1HB   SER  52          HB2       SER  52   4.297   0.124   9.330
  447   2HB   SER  52          HB1       SER  52   4.048   1.611  10.243
  448    HG   SER  52           HG       SER  52   1.915   1.338  10.162
  449    H    GLY  53           HN       GLY  53   1.697   2.479   6.947
  450   1HA   GLY  53          HA2       GLY  53   0.040   4.040   7.551
  451   2HA   GLY  53          HA1       GLY  53   1.175   4.786   8.667
  452    H    ASN  54           HN       ASN  54   2.096   4.073   5.396
  453    HA   ASN  54           HA       ASN  54   2.502   6.908   4.890
  454   1HB   ASN  54          HB2       ASN  54   2.991   4.880   2.769
  455   2HB   ASN  54          HB1       ASN  54   3.926   6.312   3.191
  456   1HD2  ASN  54          HD21      ASN  54   3.286   3.010   3.867
  457   2HD2  ASN  54          HD22      ASN  54   4.667   2.715   4.868
  458    H    VAL  55           HN       VAL  55   0.794   8.040   4.177
  459    HA   VAL  55           HA       VAL  55  -1.404   6.770   2.858
  460    HB   VAL  55           HB       VAL  55  -0.807   9.738   3.035
  461   1HG1  VAL  55          HG11      VAL  55  -2.438   9.222   1.318
  462   2HG1  VAL  55          HG12      VAL  55  -3.228  10.004   2.687
  463   3HG1  VAL  55          HG13      VAL  55  -3.374   8.262   2.463
  464   1HG2  VAL  55          HG21      VAL  55  -2.485   8.024   4.860
  465   2HG2  VAL  55          HG22      VAL  55  -2.314   9.778   4.955
  466   3HG2  VAL  55          HG23      VAL  55  -0.922   8.738   5.259
  467    H    VAL  56           HN       VAL  56  -1.083   5.958   0.893
  468    HA   VAL  56           HA       VAL  56   0.703   7.188  -1.006
  469    HB   VAL  56           HB       VAL  56  -1.274   4.955  -1.509
  470   1HG1  VAL  56          HG11      VAL  56   0.279   4.347  -3.316
  471   2HG1  VAL  56          HG12      VAL  56   1.254   5.768  -2.940
  472   3HG1  VAL  56          HG13      VAL  56  -0.396   5.962  -3.532
  473   1HG2  VAL  56          HG21      VAL  56   1.598   4.747  -0.602
  474   2HG2  VAL  56          HG22      VAL  56   0.552   3.399  -1.049
  475   3HG2  VAL  56          HG23      VAL  56   0.177   4.372   0.372
  476    H    CYS  57           HN       CYS  57  -2.784   6.692  -0.697
  477    HA   CYS  57           HA       CYS  57  -3.200   8.970  -2.506
  478   1HB   CYS  57          HB2       CYS  57  -4.875   6.452  -2.444
  479   2HB   CYS  57          HB1       CYS  57  -5.136   7.848  -3.483
  480    HG   CYS  57           HG       CYS  57  -2.324   7.336  -4.470
  481    H    LYS  58           HN       LYS  58  -3.950  10.530  -1.200
  482    HA   LYS  58           HA       LYS  58  -5.711   9.907   1.016
  483   1HB   LYS  58          HB2       LYS  58  -4.106  11.630   1.438
  484   2HB   LYS  58          HB1       LYS  58  -4.563  12.499  -0.021
  485   1HG   LYS  58          HG2       LYS  58  -6.563  13.252   0.909
  486   2HG   LYS  58          HG1       LYS  58  -6.532  12.042   2.191
  487   1HD   LYS  58          HD2       LYS  58  -4.592  14.340   1.922
  488   2HD   LYS  58          HD1       LYS  58  -5.991  14.311   3.001
  489   1HE   LYS  58          HE2       LYS  58  -5.014  12.217   4.015
  490   2HE   LYS  58          HE1       LYS  58  -3.548  12.554   3.094
  491   1HZ   LYS  58          HZ1       LYS  58  -4.779  14.302   5.154
  492   2HZ   LYS  58          HZ2       LYS  58  -3.425  14.720   4.219
  493   3HZ   LYS  58          HZ3       LYS  58  -3.340  13.420   5.306
  494    H    ASN  59           HN       ASN  59  -7.851  10.055   1.015
  495    HA   ASN  59           HA       ASN  59  -9.959  10.038   0.178
  496   1HB   ASN  59          HB2       ASN  59  -9.701  12.480   0.463
  497   2HB   ASN  59          HB1       ASN  59  -9.065  12.599  -1.174
  498   1HD2  ASN  59          HD21      ASN  59 -10.696  13.944  -1.888
  499   2HD2  ASN  59          HD22      ASN  59 -12.329  13.404  -2.099
  500    H    ILE  60           HN       ILE  60  -9.187   8.117  -1.037
  501    HA   ILE  60           HA       ILE  60  -8.404   8.562  -3.782
  502    HB   ILE  60           HB       ILE  60  -7.361   6.734  -2.628
  503   1HG1  ILE  60          HG12      ILE  60  -9.277   5.631  -4.699
  504   2HG1  ILE  60          HG11      ILE  60  -7.790   6.501  -5.065
  505   1HG2  ILE  60          HG21      ILE  60  -9.101   6.232  -1.023
  506   2HG2  ILE  60          HG22      ILE  60  -8.604   4.769  -1.876
  507   3HG2  ILE  60          HG23      ILE  60 -10.116   5.568  -2.304
  508   1HD1  ILE  60          HD11      ILE  60  -6.512   4.735  -3.931
  509   2HD1  ILE  60          HD12      ILE  60  -7.447   4.131  -5.298
  510   3HD1  ILE  60          HD13      ILE  60  -8.014   3.854  -3.650
  511    H    MET  61           HN       MET  61  -9.657   8.728  -5.467
  512    HA   MET  61           HA       MET  61 -11.398   8.619  -6.903
  513   1HB   MET  61          HB2       MET  61 -12.210   6.276  -5.185
  514   2HB   MET  61          HB1       MET  61 -13.010   6.718  -6.684
  515   1HG   MET  61          HG2       MET  61 -10.113   5.937  -6.414
  516   2HG   MET  61          HG1       MET  61 -11.413   4.889  -6.979
  517   1HE   MET  61          HE1       MET  61 -12.461   6.595 -10.336
  518   2HE   MET  61          HE2       MET  61 -13.179   6.789  -8.738
  519   3HE   MET  61          HE3       MET  61 -12.680   5.191  -9.293
  520    H    ASN  62           HN       ASN  62 -11.571  10.052  -4.216
  521    HA   ASN  62           HA       ASN  62 -12.994  11.519  -3.230
  522   1HB   ASN  62          HB2       ASN  62 -13.598  12.071  -5.596
  523   2HB   ASN  62          HB1       ASN  62 -14.908  10.903  -5.488
  524   1HD2  ASN  62          HD21      ASN  62 -15.240  13.614  -6.091
  525   2HD2  ASN  62          HD22      ASN  62 -16.162  14.346  -4.814
  526    H    THR  63           HN       THR  63 -13.447  10.509  -1.356
  527    HA   THR  63           HA       THR  63 -16.114   9.730  -0.904
  528    HB   THR  63           HB       THR  63 -15.503   7.617  -1.927
  529    HG1  THR  63           HG1      THR  63 -16.109   6.267  -0.219
  530   1HG2  THR  63          HG21      THR  63 -13.769   6.167  -0.984
  531   2HG2  THR  63          HG22      THR  63 -13.323   7.439   0.154
  532   3HG2  THR  63          HG23      THR  63 -13.088   7.682  -1.576
  533    H    GLY  64           HN       GLY  64 -12.771   9.746   0.192
  534   1HA   GLY  64          HA2       GLY  64 -12.547  11.259   2.184
  535   2HA   GLY  64          HA1       GLY  64 -13.766  10.236   2.925
  536    H    VAL  65           HN       VAL  65 -12.289   7.917   1.437
  537    HA   VAL  65           HA       VAL  65 -10.694   7.297   3.755
  538    HB   VAL  65           HB       VAL  65 -10.356   5.098   2.798
  539   1HG1  VAL  65          HG11      VAL  65 -13.218   6.025   2.645
  540   2HG1  VAL  65          HG12      VAL  65 -12.366   5.459   4.085
  541   3HG1  VAL  65          HG13      VAL  65 -12.697   4.344   2.761
  542   1HG2  VAL  65          HG21      VAL  65 -10.165   5.644   0.468
  543   2HG2  VAL  65          HG22      VAL  65 -11.865   6.117   0.407
  544   3HG2  VAL  65          HG23      VAL  65 -11.425   4.434   0.706
  545    H    ASP  66           HN       ASP  66  -8.555   7.014   3.895
  546    HA   ASP  66           HA       ASP  66  -6.913   7.829   1.594
  547   1HB   ASP  66          HB2       ASP  66  -5.883   7.582   4.412
  548   2HB   ASP  66          HB1       ASP  66  -5.273   8.583   3.101
  549    H    ILE  67           HN       ILE  67  -5.562   6.347   0.721
  550    HA   ILE  67           HA       ILE  67  -5.628   3.661   1.863
  551    HB   ILE  67           HB       ILE  67  -4.517   4.612  -0.788
  552   1HG1  ILE  67          HG12      ILE  67  -6.923   4.804  -0.747
  553   2HG1  ILE  67          HG11      ILE  67  -6.491   3.400  -1.718
  554   1HG2  ILE  67          HG21      ILE  67  -3.335   2.638  -0.022
  555   2HG2  ILE  67          HG22      ILE  67  -4.402   2.221  -1.365
  556   3HG2  ILE  67          HG23      ILE  67  -4.865   1.814   0.288
  557   1HD1  ILE  67          HD11      ILE  67  -8.401   2.922  -0.308
  558   2HD1  ILE  67          HD12      ILE  67  -7.476   3.355   1.130
  559   3HD1  ILE  67          HD13      ILE  67  -7.019   1.941   0.179
  560    H    ILE  68           HN       ILE  68  -4.110   3.071   3.211
  561    HA   ILE  68           HA       ILE  68  -1.481   4.384   3.030
  562    HB   ILE  68           HB       ILE  68  -1.264   4.061   5.469
  563   1HG1  ILE  68          HG12      ILE  68  -4.191   3.282   5.350
  564   2HG1  ILE  68          HG11      ILE  68  -2.863   2.173   5.675
  565   1HG2  ILE  68          HG21      ILE  68  -2.819   5.842   6.129
  566   2HG2  ILE  68          HG22      ILE  68  -3.676   5.642   4.601
  567   3HG2  ILE  68          HG23      ILE  68  -2.001   6.197   4.608
  568   1HD1  ILE  68          HD11      ILE  68  -3.667   4.512   7.383
  569   2HD1  ILE  68          HD12      ILE  68  -2.327   3.408   7.705
  570   3HD1  ILE  68          HD13      ILE  68  -3.986   2.810   7.715
  571    H    CYS  69           HN       CYS  69   0.253   3.113   2.852
  572    HA   CYS  69           HA       CYS  69  -0.114   0.226   3.039
  573   1HB   CYS  69          HB2       CYS  69   2.396   0.251   2.402
  574   2HB   CYS  69          HB1       CYS  69   1.219   0.745   1.190
  575    HG   CYS  69           HG       CYS  69   3.816   2.279   1.608
  576    H    THR  70           HN       THR  70   0.741  -1.065   4.639
  577    HA   THR  70           HA       THR  70   1.604   0.450   7.026
  578    HB   THR  70           HB       THR  70  -0.743  -0.260   7.135
  579    HG1  THR  70           HG1      THR  70   1.106  -0.711   8.972
  580   1HG2  THR  70          HG21      THR  70  -0.647  -2.225   5.717
  581   2HG2  THR  70          HG22      THR  70  -1.305  -2.652   7.298
  582   3HG2  THR  70          HG23      THR  70   0.366  -3.056   6.899
  583    H    LYS  71           HN       LYS  71   3.061  -1.323   4.932
  584    HA   LYS  71           HA       LYS  71   4.413  -2.987   6.945
  585   1HB   LYS  71          HB2       LYS  71   3.349  -4.360   5.217
  586   2HB   LYS  71          HB1       LYS  71   4.205  -3.467   3.968
  587   1HG   LYS  71          HG2       LYS  71   6.291  -4.360   4.623
  588   2HG   LYS  71          HG1       LYS  71   5.621  -5.016   6.119
  589   1HD   LYS  71          HD2       LYS  71   4.261  -6.582   4.844
  590   2HD   LYS  71          HD1       LYS  71   4.863  -5.898   3.333
  591   1HE   LYS  71          HE2       LYS  71   5.999  -7.989   3.902
  592   2HE   LYS  71          HE1       LYS  71   7.116  -6.624   3.880
  593   1HZ   LYS  71          HZ1       LYS  71   7.509  -8.056   5.772
  594   2HZ   LYS  71          HZ2       LYS  71   5.914  -7.844   6.312
  595   3HZ   LYS  71          HZ3       LYS  71   6.991  -6.530   6.292
  596    H    ASN  72           HN       ASN  72   6.523  -2.638   7.280
  597    HA   ASN  72           HA       ASN  72   7.649  -0.260   6.054
  598   1HB   ASN  72          HB2       ASN  72   8.698  -2.092   8.229
  599   2HB   ASN  72          HB1       ASN  72   9.545  -0.662   7.653
  600   1HD2  ASN  72          HD21      ASN  72   6.082  -1.083   8.230
  601   2HD2  ASN  72          HD22      ASN  72   5.965   0.108   9.475
  602    H    LEU  73           HN       LEU  73   8.582  -0.510   4.094
  603    HA   LEU  73           HA       LEU  73   9.921  -3.028   3.439
  604   1HB   LEU  73          HB2       LEU  73   9.349  -0.549   1.819
  605   2HB   LEU  73          HB1       LEU  73  10.346  -1.856   1.218
  606    HG   LEU  73           HG       LEU  73   8.312  -3.367   1.633
  607   1HD1  LEU  73          HD11      LEU  73   6.151  -2.256   1.566
  608   2HD1  LEU  73          HD12      LEU  73   6.946  -0.684   1.662
  609   3HD1  LEU  73          HD13      LEU  73   7.050  -1.809   3.018
  610   1HD2  LEU  73          HD21      LEU  73   9.103  -2.739  -0.581
  611   2HD2  LEU  73          HD22      LEU  73   8.203  -1.224  -0.485
  612   3HD2  LEU  73          HD23      LEU  73   7.340  -2.762  -0.527
  613    HA   PRO  74           HA       PRO  74  13.989  -1.416   4.457
  614   1HB   PRO  74          HB2       PRO  74  14.918  -3.633   2.747
  615   2HB   PRO  74          HB1       PRO  74  15.271  -3.304   4.444
  616   1HG   PRO  74          HG2       PRO  74  13.671  -5.330   3.699
  617   2HG   PRO  74          HG1       PRO  74  13.384  -4.410   5.189
  618   1HD   PRO  74          HD2       PRO  74  12.001  -4.210   2.540
  619   2HD   PRO  74          HD1       PRO  74  11.320  -4.122   4.178
  620    H    LYS  75           HN       LYS  75  14.999   0.156   3.432
  621    HA   LYS  75           HA       LYS  75  14.349   0.956   0.831
  622   1HB   LYS  75          HB2       LYS  75  16.221   1.832   2.912
  623   2HB   LYS  75          HB1       LYS  75  16.737   2.211   1.276
  624   1HG   LYS  75          HG2       LYS  75  14.200   3.050   1.136
  625   2HG   LYS  75          HG1       LYS  75  14.496   3.291   2.861
  626   1HD   LYS  75          HD2       LYS  75  15.050   5.301   1.580
  627   2HD   LYS  75          HD1       LYS  75  16.489   4.613   2.338
  628   1HE   LYS  75          HE2       LYS  75  17.075   3.531   0.222
  629   2HE   LYS  75          HE1       LYS  75  15.641   4.220  -0.533
  630   1HZ   LYS  75          HZ1       LYS  75  17.570   5.512  -1.086
  631   2HZ   LYS  75          HZ2       LYS  75  17.964   5.726   0.548
  632   3HZ   LYS  75          HZ3       LYS  75  16.560   6.437  -0.087
  633    H    ASP  76           HN       ASP  76  15.622   1.154  -1.035
  634    HA   ASP  76           HA       ASP  76  17.308  -1.101  -1.626
  635   1HB   ASP  76          HB2       ASP  76  17.411  -0.182  -3.867
  636   2HB   ASP  76          HB1       ASP  76  15.749  -0.069  -3.292
  637    H    SER  77           HN       SER  77  19.432  -0.474  -2.899
  638    HA   SER  77           HA       SER  77  20.862   1.505  -1.267
  639   1HB   SER  77          HB2       SER  77  22.905   0.055  -1.782
  640   2HB   SER  77          HB1       SER  77  21.724  -0.617  -0.655
  641    HG   SER  77           HG       SER  77  22.545  -1.567  -3.067
  642    H    LEU  78           HN       LEU  78  21.925   3.090  -2.312
  643    HA   LEU  78           HA       LEU  78  21.673   3.289  -5.158
  644   1HB   LEU  78          HB2       LEU  78  21.509   5.271  -3.732
  645   2HB   LEU  78          HB1       LEU  78  23.165   5.041  -3.204
  646    HG   LEU  78           HG       LEU  78  23.941   5.435  -5.520
  647   1HD1  LEU  78          HD11      LEU  78  22.390   6.336  -7.174
  648   2HD1  LEU  78          HD12      LEU  78  21.046   6.071  -6.066
  649   3HD1  LEU  78          HD13      LEU  78  21.943   4.696  -6.705
  650   1HD2  LEU  78          HD21      LEU  78  23.891   7.281  -3.951
  651   2HD2  LEU  78          HD22      LEU  78  22.204   7.604  -4.350
  652   3HD2  LEU  78          HD23      LEU  78  23.459   7.846  -5.565
  653    H    GLU  79           HN       GLU  79  22.807   1.414  -5.787
  654    HA   GLU  79           HA       GLU  79  25.731   1.738  -5.696
  655   1HB   GLU  79          HB2       GLU  79  24.139  -0.807  -6.077
  656   2HB   GLU  79          HB1       GLU  79  25.896  -0.686  -6.022
  657   1HG   GLU  79          HG2       GLU  79  25.810   0.054  -3.723
  658   2HG   GLU  79          HG1       GLU  79  24.047   0.050  -3.762
  659    H    HIS  80           HN       HIS  80  23.238   0.198  -7.712
  660    HA   HIS  80           HA       HIS  80  22.821   0.216  -9.936
  661   1HB   HIS  80          HB2       HIS  80  22.540   2.669  -9.346
  662   2HB   HIS  80          HB1       HIS  80  24.159   2.923  -9.986
  663    HD1  HIS  80           HD1      HIS  80  20.646   2.211 -11.018
  664    HD2  HIS  80           HD2      HIS  80  24.370   2.775 -12.790
  665    HE1  HIS  80           HE1      HIS  80  20.193   2.508 -13.472
  666    HE2  HIS  80           HE2      HIS  80  22.431   3.028 -14.492
  667    H    HIS  81           HN       HIS  81  24.158  -1.449 -10.566
  668    HA   HIS  81           HA       HIS  81  26.965  -1.175 -10.858
  669   1HB   HIS  81          HB2       HIS  81  25.071  -3.288 -11.896
  670   2HB   HIS  81          HB1       HIS  81  26.824  -3.392 -12.014
  671    HD1  HIS  81           HD1      HIS  81  24.010  -4.053  -9.765
  672    HD2  HIS  81           HD2      HIS  81  28.134  -3.616  -9.447
  673    HE1  HIS  81           HE1      HIS  81  24.624  -5.002  -7.516
  674    HE2  HIS  81           HE2      HIS  81  27.147  -4.943  -7.457
  675    H    HIS  82           HN       HIS  82  27.574   0.425 -12.245
  676    HA   HIS  82           HA       HIS  82  27.564  -0.348 -15.013
  677   1HB   HIS  82          HB2       HIS  82  25.447   1.115 -14.608
  678   2HB   HIS  82          HB1       HIS  82  26.590   2.452 -14.504
  679    HD1  HIS  82           HD1      HIS  82  24.468   0.935 -16.858
  680    HD2  HIS  82           HD2      HIS  82  28.405   2.276 -16.998
  681    HE1  HIS  82           HE1      HIS  82  24.994   1.254 -19.296
  682    HE2  HIS  82           HE2      HIS  82  27.342   2.181 -19.355
  683    H    HIS  83           HN       HIS  83  28.112   2.729 -13.252
  684    HA   HIS  83           HA       HIS  83  30.921   2.214 -13.101
  685   1HB   HIS  83          HB2       HIS  83  31.712   4.113 -14.429
  686   2HB   HIS  83          HB1       HIS  83  30.856   2.955 -15.432
  687    HD1  HIS  83           HD1      HIS  83  29.468   4.062 -17.116
  688    HD2  HIS  83           HD2      HIS  83  29.732   6.337 -13.644
  689    HE1  HIS  83           HE1      HIS  83  28.139   6.149 -17.563
  690    HE2  HIS  83           HE2      HIS  83  28.454   7.580 -15.517
  691    H    HIS  84           HN       HIS  84  32.080   3.869 -11.964
  692    HA   HIS  84           HA       HIS  84  32.388   5.270 -10.230
  693   1HB   HIS  84          HB2       HIS  84  31.739   6.932 -11.906
  694   2HB   HIS  84          HB1       HIS  84  30.047   6.727 -11.471
  695    HD1  HIS  84           HD1      HIS  84  32.925   7.150  -9.023
  696    HD2  HIS  84           HD2      HIS  84  29.550   9.173 -10.376
  697    HE1  HIS  84           HE1      HIS  84  32.704   9.172  -7.544
  698    HE2  HIS  84           HE2      HIS  84  30.771  10.474  -8.499
  699    H    HIS  85           HN       HIS  85  31.751   3.534  -8.796
  700    HA   HIS  85           HA       HIS  85  29.342   4.292  -7.279
  701   1HB   HIS  85          HB2       HIS  85  29.145   2.008  -8.132
  702   2HB   HIS  85          HB1       HIS  85  30.704   1.589  -7.429
  703    HD1  HIS  85           HD1      HIS  85  30.352   0.168  -5.447
  704    HD2  HIS  85           HD2      HIS  85  27.444   3.128  -5.753
  705    HE1  HIS  85           HE1      HIS  85  28.871  -0.118  -3.436
  706    HE2  HIS  85           HE2      HIS  85  27.253   1.808  -3.536
  Start of MODEL   12
    1   1H    MET   1          HT1       MET   1 -22.055 -10.181   3.204
    2   2H    MET   1          HT2       MET   1 -22.790  -9.742   4.668
    3   3H    MET   1          HT3       MET   1 -21.100  -9.843   4.567
    4    HA   MET   1           HA       MET   1 -21.075  -8.021   2.982
    5   1HB   MET   1          HB2       MET   1 -23.351  -8.425   2.091
    6   2HB   MET   1          HB1       MET   1 -24.033  -7.871   3.613
    7   1HG   MET   1          HG2       MET   1 -23.023  -5.660   3.239
    8   2HG   MET   1          HG1       MET   1 -22.415  -6.225   1.683
    9   1HE   MET   1          HE1       MET   1 -25.870  -7.029   3.413
   10   2HE   MET   1          HE2       MET   1 -26.888  -5.762   2.729
   11   3HE   MET   1          HE3       MET   1 -25.567  -5.341   3.819
   12    H    HIS   2           HN       HIS   2 -19.848  -6.838   4.287
   13    HA   HIS   2           HA       HIS   2 -21.092  -5.287   6.401
   14   1HB   HIS   2          HB2       HIS   2 -20.357  -7.366   7.541
   15   2HB   HIS   2          HB1       HIS   2 -18.723  -7.100   6.950
   16    HD1  HIS   2           HD1      HIS   2 -21.191  -5.855   9.486
   17    HD2  HIS   2           HD2      HIS   2 -17.234  -5.212   8.375
   18    HE1  HIS   2           HE1      HIS   2 -20.175  -4.496  11.342
   19    HE2  HIS   2           HE2      HIS   2 -17.761  -4.183  10.692
   20    H    LYS   3           HN       LYS   3 -20.127  -3.309   6.610
   21    HA   LYS   3           HA       LYS   3 -18.177  -2.578   4.643
   22   1HB   LYS   3          HB2       LYS   3 -19.377  -1.019   6.936
   23   2HB   LYS   3          HB1       LYS   3 -18.279  -0.335   5.744
   24   1HG   LYS   3          HG2       LYS   3 -19.904  -0.983   3.975
   25   2HG   LYS   3          HG1       LYS   3 -21.023  -1.466   5.250
   26   1HD   LYS   3          HD2       LYS   3 -21.067   0.788   6.117
   27   2HD   LYS   3          HD1       LYS   3 -19.842   1.291   4.952
   28   1HE   LYS   3          HE2       LYS   3 -21.400   0.705   3.127
   29   2HE   LYS   3          HE1       LYS   3 -22.630   0.331   4.330
   30   1HZ   LYS   3          HZ1       LYS   3 -21.320   2.978   4.037
   31   2HZ   LYS   3          HZ2       LYS   3 -22.627   2.594   5.049
   32   3HZ   LYS   3          HZ3       LYS   3 -22.821   2.576   3.362
   33    H    ASP   4           HN       ASP   4 -16.092  -2.869   4.811
   34    HA   ASP   4           HA       ASP   4 -14.899  -3.016   7.498
   35   1HB   ASP   4          HB2       ASP   4 -14.685  -4.980   5.246
   36   2HB   ASP   4          HB1       ASP   4 -13.341  -4.793   6.368
   37    H    ILE   5           HN       ILE   5 -12.394  -3.216   7.173
   38    HA   ILE   5           HA       ILE   5 -11.549  -0.801   5.872
   39    HB   ILE   5           HB       ILE   5 -10.025  -2.933   7.375
   40   1HG1  ILE   5          HG12      ILE   5 -11.516  -1.582   8.761
   41   2HG1  ILE   5          HG11      ILE   5  -9.834  -1.194   9.110
   42   1HG2  ILE   5          HG21      ILE   5  -9.000  -0.309   6.302
   43   2HG2  ILE   5          HG22      ILE   5  -8.565  -1.914   5.712
   44   3HG2  ILE   5          HG23      ILE   5  -8.107  -1.420   7.343
   45   1HD1  ILE   5          HD11      ILE   5 -11.707   0.424   7.396
   46   2HD1  ILE   5          HD12      ILE   5 -10.015   0.811   7.724
   47   3HD1  ILE   5          HD13      ILE   5 -11.191   0.808   9.040
   48    H    PHE   6           HN       PHE   6 -11.193  -0.752   3.748
   49    HA   PHE   6           HA       PHE   6 -10.676  -2.938   2.088
   50   1HB   PHE   6          HB2       PHE   6 -11.400  -0.819   1.176
   51   2HB   PHE   6          HB1       PHE   6  -9.950  -0.018   1.762
   52    HD1  PHE   6           HD2      PHE   6 -11.296  -2.371  -0.724
   53    HD2  PHE   6           HD1      PHE   6  -7.902  -0.152   0.562
   54    HE1  PHE   6           HE2      PHE   6 -10.182  -2.842  -2.866
   55    HE2  PHE   6           HE1      PHE   6  -6.783  -0.618  -1.576
   56    HZ   PHE   6           HZ       PHE   6  -7.921  -1.965  -3.293
   57    H    THR   7           HN       THR   7  -8.928  -4.163   1.812
   58    HA   THR   7           HA       THR   7  -6.296  -2.996   1.979
   59    HB   THR   7           HB       THR   7  -6.623  -3.675   4.303
   60    HG1  THR   7           HG1      THR   7  -4.570  -4.094   3.020
   61   1HG2  THR   7          HG21      THR   7  -7.089  -6.452   3.208
   62   2HG2  THR   7          HG22      THR   7  -8.289  -5.431   3.997
   63   3HG2  THR   7          HG23      THR   7  -6.907  -6.035   4.911
   64    H    SER   8           HN       SER   8  -4.914  -3.938   0.583
   65    HA   SER   8           HA       SER   8  -5.415  -6.585  -0.463
   66   1HB   SER   8          HB2       SER   8  -5.549  -4.151  -2.266
   67   2HB   SER   8          HB1       SER   8  -5.562  -5.829  -2.810
   68    HG   SER   8           HG       SER   8  -7.446  -5.452  -0.928
   69    H    VAL   9           HN       VAL   9  -3.715  -7.081  -2.202
   70    HA   VAL   9           HA       VAL   9  -1.178  -5.836  -1.374
   71    HB   VAL   9           HB       VAL   9  -1.625  -8.678  -2.318
   72   1HG1  VAL   9          HG11      VAL   9   0.551  -7.833  -2.992
   73   2HG1  VAL   9          HG12      VAL   9   0.725  -9.026  -1.706
   74   3HG1  VAL   9          HG13      VAL   9   0.878  -7.308  -1.341
   75   1HG2  VAL   9          HG21      VAL   9  -0.982  -7.598   0.426
   76   2HG2  VAL   9          HG22      VAL   9  -1.029  -9.305  -0.016
   77   3HG2  VAL   9          HG23      VAL   9  -2.501  -8.337  -0.080
   78    H    VAL  10           HN       VAL  10  -0.212  -4.707  -2.910
   79    HA   VAL  10           HA       VAL  10  -0.882  -5.333  -5.712
   80    HB   VAL  10           HB       VAL  10  -0.593  -2.960  -6.242
   81   1HG1  VAL  10          HG11      VAL  10  -2.606  -2.105  -5.043
   82   2HG1  VAL  10          HG12      VAL  10  -2.576  -3.569  -4.061
   83   3HG1  VAL  10          HG13      VAL  10  -2.823  -3.681  -5.804
   84   1HG2  VAL  10          HG21      VAL  10  -0.237  -2.597  -3.268
   85   2HG2  VAL  10          HG22      VAL  10  -0.441  -1.292  -4.438
   86   3HG2  VAL  10          HG23      VAL  10   0.985  -2.328  -4.510
   87    H    ARG  11           HN       ARG  11   0.787  -4.304  -7.237
   88    HA   ARG  11           HA       ARG  11   3.337  -5.437  -6.665
   89   1HB   ARG  11          HB2       ARG  11   1.936  -4.336  -8.950
   90   2HB   ARG  11          HB1       ARG  11   3.603  -3.778  -8.898
   91   1HG   ARG  11          HG2       ARG  11   2.842  -6.673  -8.666
   92   2HG   ARG  11          HG1       ARG  11   3.177  -5.881 -10.209
   93   1HD   ARG  11          HD2       ARG  11   5.412  -5.311  -9.464
   94   2HD   ARG  11          HD1       ARG  11   5.085  -5.995  -7.872
   95    HE   ARG  11           HE       ARG  11   5.574  -8.047  -8.712
   96   1HH1  ARG  11          HH11      ARG  11   4.813  -5.934 -11.407
   97   2HH1  ARG  11          HH12      ARG  11   5.216  -7.121 -12.612
   98   1HH2  ARG  11          HH21      ARG  11   6.110  -9.604 -10.291
   99   2HH2  ARG  11          HH22      ARG  11   5.943  -9.209 -11.974
  100    H    VAL  12           HN       VAL  12   5.053  -4.514  -5.764
  101    HA   VAL  12           HA       VAL  12   4.923  -1.636  -5.227
  102    HB   VAL  12           HB       VAL  12   4.985  -2.982  -3.221
  103   1HG1  VAL  12          HG11      VAL  12   7.567  -4.112  -4.268
  104   2HG1  VAL  12          HG12      VAL  12   6.044  -4.980  -4.061
  105   3HG1  VAL  12          HG13      VAL  12   6.914  -4.375  -2.652
  106   1HG2  VAL  12          HG21      VAL  12   6.095  -0.855  -3.091
  107   2HG2  VAL  12          HG22      VAL  12   7.588  -1.559  -3.712
  108   3HG2  VAL  12          HG23      VAL  12   6.979  -2.041  -2.129
  109    H    ARG  13           HN       ARG  13   6.367  -0.289  -6.008
  110    HA   ARG  13           HA       ARG  13   8.488  -1.373  -7.722
  111   1HB   ARG  13          HB2       ARG  13   6.917  -0.082  -8.957
  112   2HB   ARG  13          HB1       ARG  13   6.912   1.198  -7.756
  113   1HG   ARG  13          HG2       ARG  13   9.149   1.848  -8.389
  114   2HG   ARG  13          HG1       ARG  13   9.253   0.490  -9.513
  115   1HD   ARG  13          HD2       ARG  13   7.556   1.412 -10.906
  116   2HD   ARG  13          HD1       ARG  13   7.158   2.642  -9.708
  117    HE   ARG  13           HE       ARG  13   9.100   3.820 -10.291
  118   1HH1  ARG  13          HH11      ARG  13   8.676   0.916 -12.220
  119   2HH1  ARG  13          HH12      ARG  13   9.806   1.426 -13.443
  120   1HH2  ARG  13          HH21      ARG  13  10.557   4.489 -11.925
  121   2HH2  ARG  13          HH22      ARG  13  10.863   3.439 -13.281
  122    H    GLY  14           HN       GLY  14  10.595  -0.703  -7.523
  123   1HA   GLY  14          HA2       GLY  14  12.044   1.206  -6.744
  124   2HA   GLY  14          HA1       GLY  14  11.183   1.055  -5.218
  125    H    SER  15           HN       SER  15  13.907   0.889  -5.223
  126    HA   SER  15           HA       SER  15  14.677  -1.890  -5.258
  127   1HB   SER  15          HB2       SER  15  16.190   0.569  -4.349
  128   2HB   SER  15          HB1       SER  15  16.878  -1.049  -4.511
  129    HG   SER  15           HG       SER  15  16.194   0.808  -6.463
  130    H    LYS  16           HN       LYS  16  13.765  -3.081  -3.746
  131    HA   LYS  16           HA       LYS  16  14.466  -2.691  -1.001
  132   1HB   LYS  16          HB2       LYS  16  11.914  -3.015  -0.373
  133   2HB   LYS  16          HB1       LYS  16  12.603  -1.416  -0.593
  134   1HG   LYS  16          HG2       LYS  16  10.351  -1.799  -1.634
  135   2HG   LYS  16          HG1       LYS  16  11.591  -1.169  -2.715
  136   1HD   LYS  16          HD2       LYS  16  11.934  -3.356  -3.668
  137   2HD   LYS  16          HD1       LYS  16  10.825  -4.076  -2.502
  138   1HE   LYS  16          HE2       LYS  16   8.980  -3.316  -3.569
  139   2HE   LYS  16          HE1       LYS  16   9.790  -1.873  -4.190
  140   1HZ   LYS  16          HZ1       LYS  16  10.331  -4.615  -5.188
  141   2HZ   LYS  16          HZ2       LYS  16  10.839  -3.152  -5.875
  142   3HZ   LYS  16          HZ3       LYS  16   9.196  -3.575  -5.899
  143    H    LYS  17           HN       LYS  17  12.895  -4.514   0.249
  144    HA   LYS  17           HA       LYS  17  13.841  -6.937  -1.064
  145   1HB   LYS  17          HB2       LYS  17  12.865  -6.448   1.749
  146   2HB   LYS  17          HB1       LYS  17  13.412  -8.007   1.145
  147   1HG   LYS  17          HG2       LYS  17  15.056  -5.495   1.360
  148   2HG   LYS  17          HG1       LYS  17  15.174  -6.923   2.390
  149   1HD   LYS  17          HD2       LYS  17  15.856  -8.267   0.470
  150   2HD   LYS  17          HD1       LYS  17  15.694  -6.858  -0.583
  151   1HE   LYS  17          HE2       LYS  17  17.425  -5.711   0.735
  152   2HE   LYS  17          HE1       LYS  17  17.618  -7.164   1.719
  153   1HZ   LYS  17          HZ1       LYS  17  19.285  -6.954  -0.064
  154   2HZ   LYS  17          HZ2       LYS  17  18.049  -7.043  -1.220
  155   3HZ   LYS  17          HZ3       LYS  17  18.355  -8.370  -0.208
  156    H    TYR  18           HN       TYR  18  10.965  -5.341  -1.128
  157    HA   TYR  18           HA       TYR  18   9.418  -7.834  -1.073
  158   1HB   TYR  18          HB2       TYR  18   8.610  -5.007  -0.497
  159   2HB   TYR  18          HB1       TYR  18   7.411  -6.224  -0.930
  160    HD1  TYR  18           HD2      TYR  18   7.434  -8.404   0.475
  161    HD2  TYR  18           HD1      TYR  18   9.245  -4.767   1.736
  162    HE1  TYR  18           HE2      TYR  18   7.346  -9.178   2.806
  163    HE2  TYR  18           HE1      TYR  18   9.163  -5.532   4.072
  164    HH   TYR  18           HH       TYR  18   8.576  -8.722   4.952
  165    H    ASN  19           HN       ASN  19   8.159  -8.450  -2.755
  166    HA   ASN  19           HA       ASN  19   8.426  -6.867  -5.216
  167   1HB   ASN  19          HB2       ASN  19   9.108  -9.377  -5.013
  168   2HB   ASN  19          HB1       ASN  19   7.378  -9.689  -5.089
  169   1HD2  ASN  19          HD21      ASN  19   9.618 -10.322  -6.923
  170   2HD2  ASN  19          HD22      ASN  19   9.138  -9.690  -8.461
  171    H    VAL  20           HN       VAL  20   6.355  -7.530  -2.719
  172    HA   VAL  20           HA       VAL  20   4.064  -6.446  -4.153
  173    HB   VAL  20           HB       VAL  20   2.529  -8.069  -3.007
  174   1HG1  VAL  20          HG11      VAL  20   3.006  -8.347  -5.357
  175   2HG1  VAL  20          HG12      VAL  20   2.914  -9.928  -4.582
  176   3HG1  VAL  20          HG13      VAL  20   4.484  -9.235  -4.986
  177   1HG2  VAL  20          HG21      VAL  20   5.081  -9.587  -2.472
  178   2HG2  VAL  20          HG22      VAL  20   3.447 -10.204  -2.224
  179   3HG2  VAL  20          HG23      VAL  20   4.033  -8.847  -1.262
  180    H    VAL  21           HN       VAL  21   2.611  -5.313  -2.772
  181    HA   VAL  21           HA       VAL  21   3.506  -5.038   0.012
  182    HB   VAL  21           HB       VAL  21   4.539  -3.200  -1.186
  183   1HG1  VAL  21          HG11      VAL  21   1.751  -2.448  -2.046
  184   2HG1  VAL  21          HG12      VAL  21   3.049  -3.038  -3.085
  185   3HG1  VAL  21          HG13      VAL  21   3.198  -1.470  -2.291
  186   1HG2  VAL  21          HG21      VAL  21   2.215  -2.282   0.501
  187   2HG2  VAL  21          HG22      VAL  21   3.643  -1.323   0.110
  188   3HG2  VAL  21          HG23      VAL  21   3.800  -2.782   1.088
  189    HA   PRO  22           HA       PRO  22  -0.923  -5.222   0.700
  190   1HB   PRO  22          HB2       PRO  22  -0.319  -5.098   3.518
  191   2HB   PRO  22          HB1       PRO  22  -0.903  -6.472   2.577
  192   1HG   PRO  22          HG2       PRO  22   1.601  -6.316   3.696
  193   2HG   PRO  22          HG1       PRO  22   1.188  -7.330   2.305
  194   1HD   PRO  22          HD2       PRO  22   2.568  -4.687   2.381
  195   2HD   PRO  22          HD1       PRO  22   2.852  -6.082   1.321
  196    H    VAL  23           HN       VAL  23  -1.920  -3.365   0.305
  197    HA   VAL  23           HA       VAL  23  -1.354  -1.028   2.004
  198    HB   VAL  23           HB       VAL  23  -2.525   0.313   0.332
  199   1HG1  VAL  23          HG11      VAL  23  -0.948   0.082  -1.524
  200   2HG1  VAL  23          HG12      VAL  23  -0.459  -1.499  -0.912
  201   3HG1  VAL  23          HG13      VAL  23  -0.135  -0.047   0.036
  202   1HG2  VAL  23          HG21      VAL  23  -3.266  -0.679  -1.790
  203   2HG2  VAL  23          HG22      VAL  23  -4.161  -1.326  -0.414
  204   3HG2  VAL  23          HG23      VAL  23  -2.883  -2.282  -1.165
  205    H    LYS  24           HN       LYS  24  -3.283   0.229   2.725
  206    HA   LYS  24           HA       LYS  24  -5.807  -1.191   2.744
  207   1HB   LYS  24          HB2       LYS  24  -6.009  -1.304   5.166
  208   2HB   LYS  24          HB1       LYS  24  -4.608  -2.222   4.633
  209   1HG   LYS  24          HG2       LYS  24  -3.162  -0.332   5.270
  210   2HG   LYS  24          HG1       LYS  24  -4.584   0.526   5.864
  211   1HD   LYS  24          HD2       LYS  24  -3.664  -2.166   6.871
  212   2HD   LYS  24          HD1       LYS  24  -3.284  -0.630   7.647
  213   1HE   LYS  24          HE2       LYS  24  -6.090  -1.615   7.143
  214   2HE   LYS  24          HE1       LYS  24  -5.217  -1.870   8.652
  215   1HZ   LYS  24          HZ1       LYS  24  -5.028   0.554   8.878
  216   2HZ   LYS  24          HZ2       LYS  24  -6.640   0.043   8.847
  217   3HZ   LYS  24          HZ3       LYS  24  -5.959   0.756   7.476
  218    H    SER  25           HN       SER  25  -7.362   0.059   4.268
  219    HA   SER  25           HA       SER  25  -6.997   2.952   3.822
  220   1HB   SER  25          HB2       SER  25  -9.556   1.425   4.358
  221   2HB   SER  25          HB1       SER  25  -9.411   3.116   3.877
  222    HG   SER  25           HG       SER  25  -8.164   1.340   2.188
  223    H    ASN  26           HN       ASN  26  -7.293   4.360   5.580
  224    HA   ASN  26           HA       ASN  26  -7.224   3.084   8.208
  225   1HB   ASN  26          HB2       ASN  26  -6.527   5.162   9.103
  226   2HB   ASN  26          HB1       ASN  26  -5.695   5.036   7.561
  227   1HD2  ASN  26          HD21      ASN  26  -6.300   6.387   5.868
  228   2HD2  ASN  26          HD22      ASN  26  -7.256   7.814   6.130
  229    H    LYS  27           HN       LYS  27  -9.490   3.980   6.090
  230    HA   LYS  27           HA       LYS  27 -11.461   4.646   8.161
  231   1HB   LYS  27          HB2       LYS  27 -10.754   6.634   6.806
  232   2HB   LYS  27          HB1       LYS  27 -11.341   5.813   5.371
  233   1HG   LYS  27          HG2       LYS  27 -13.591   5.934   6.121
  234   2HG   LYS  27          HG1       LYS  27 -13.090   6.480   7.725
  235   1HD   LYS  27          HD2       LYS  27 -12.694   7.998   5.142
  236   2HD   LYS  27          HD1       LYS  27 -13.921   8.343   6.364
  237   1HE   LYS  27          HE2       LYS  27 -12.235   8.881   7.986
  238   2HE   LYS  27          HE1       LYS  27 -10.953   8.365   6.893
  239   1HZ   LYS  27          HZ1       LYS  27 -12.791  10.647   6.390
  240   2HZ   LYS  27          HZ2       LYS  27 -11.473  10.184   5.428
  241   3HZ   LYS  27          HZ3       LYS  27 -11.211  10.790   6.990
  242    HA   PRO  28           HA       PRO  28 -13.401   0.969   6.606
  243   1HB   PRO  28          HB2       PRO  28 -15.878   2.250   7.634
  244   2HB   PRO  28          HB1       PRO  28 -15.193   0.664   8.008
  245   1HG   PRO  28          HG2       PRO  28 -15.042   2.650   9.771
  246   2HG   PRO  28          HG1       PRO  28 -13.683   1.533   9.543
  247   1HD   PRO  28          HD2       PRO  28 -14.030   4.329   8.531
  248   2HD   PRO  28          HD1       PRO  28 -12.580   3.540   9.187
  249    H    VAL  29           HN       VAL  29 -14.183   0.461   4.668
  250    HA   VAL  29           HA       VAL  29 -15.642   2.540   3.168
  251    HB   VAL  29           HB       VAL  29 -14.674   1.709   1.118
  252   1HG1  VAL  29          HG11      VAL  29 -12.539   2.146   3.200
  253   2HG1  VAL  29          HG12      VAL  29 -13.394   3.398   2.300
  254   3HG1  VAL  29          HG13      VAL  29 -12.318   2.285   1.456
  255   1HG2  VAL  29          HG21      VAL  29 -13.101  -0.267   2.750
  256   2HG2  VAL  29          HG22      VAL  29 -13.120  -0.090   0.993
  257   3HG2  VAL  29          HG23      VAL  29 -14.556  -0.664   1.836
  258    H    GLU  30           HN       GLU  30 -16.697   1.337   1.137
  259    HA   GLU  30           HA       GLU  30 -18.367  -0.799   2.242
  260   1HB   GLU  30          HB2       GLU  30 -19.140   1.433   0.983
  261   2HB   GLU  30          HB1       GLU  30 -18.882   0.432  -0.438
  262   1HG   GLU  30          HG2       GLU  30 -20.647  -0.339   1.865
  263   2HG   GLU  30          HG1       GLU  30 -21.222   0.473   0.412
  264    H    ILE  31           HN       ILE  31 -18.440  -2.829   1.294
  265    HA   ILE  31           HA       ILE  31 -15.905  -3.528   0.134
  266    HB   ILE  31           HB       ILE  31 -16.722  -5.878   0.334
  267   1HG1  ILE  31          HG12      ILE  31 -19.098  -4.569   1.680
  268   2HG1  ILE  31          HG11      ILE  31 -19.141  -5.372   0.113
  269   1HG2  ILE  31          HG21      ILE  31 -16.853  -4.145   2.795
  270   2HG2  ILE  31          HG22      ILE  31 -15.402  -4.844   2.076
  271   3HG2  ILE  31          HG23      ILE  31 -16.626  -5.894   2.790
  272   1HD1  ILE  31          HD11      ILE  31 -18.498  -6.674   2.748
  273   2HD1  ILE  31          HD12      ILE  31 -18.536  -7.481   1.180
  274   3HD1  ILE  31          HD13      ILE  31 -20.016  -6.804   1.860
  275    H    SER  32           HN       SER  32 -19.078  -3.001  -1.154
  276    HA   SER  32           HA       SER  32 -18.740  -4.671  -3.450
  277   1HB   SER  32          HB2       SER  32 -20.969  -3.912  -2.676
  278   2HB   SER  32          HB1       SER  32 -20.544  -2.260  -3.125
  279    HG   SER  32           HG       SER  32 -20.064  -3.503  -5.280
  280    H    LYS  33           HN       LYS  33 -17.437  -1.667  -2.511
  281    HA   LYS  33           HA       LYS  33 -16.843  -0.869  -5.257
  282   1HB   LYS  33          HB2       LYS  33 -16.261   0.497  -2.621
  283   2HB   LYS  33          HB1       LYS  33 -15.833   1.151  -4.198
  284   1HG   LYS  33          HG2       LYS  33 -18.224   1.178  -4.800
  285   2HG   LYS  33          HG1       LYS  33 -18.613   0.598  -3.181
  286   1HD   LYS  33          HD2       LYS  33 -18.926   2.996  -3.299
  287   2HD   LYS  33          HD1       LYS  33 -17.574   2.620  -2.230
  288   1HE   LYS  33          HE2       LYS  33 -15.986   3.221  -3.929
  289   2HE   LYS  33          HE1       LYS  33 -17.267   3.397  -5.130
  290   1HZ   LYS  33          HZ1       LYS  33 -16.478   5.536  -4.227
  291   2HZ   LYS  33          HZ2       LYS  33 -17.018   5.071  -2.686
  292   3HZ   LYS  33          HZ3       LYS  33 -18.131   5.277  -3.949
  293    H    TRP  34           HN       TRP  34 -15.580  -2.996  -3.146
  294    HA   TRP  34           HA       TRP  34 -12.858  -2.504  -2.944
  295   1HB   TRP  34          HB2       TRP  34 -13.927  -4.360  -1.784
  296   2HB   TRP  34          HB1       TRP  34 -14.300  -5.141  -3.314
  297    HD1  TRP  34           HD1      TRP  34 -11.390  -4.499  -0.912
  298    HE1  TRP  34           HE1      TRP  34  -9.458  -6.088  -1.517
  299    HE3  TRP  34           HE3      TRP  34 -13.279  -6.491  -5.230
  300    HZ2  TRP  34           HZ2      TRP  34  -8.824  -7.944  -3.536
  301    HZ3  TRP  34           HZ3      TRP  34 -11.946  -8.174  -6.432
  302    HH2  TRP  34           HH2      TRP  34  -9.765  -8.883  -5.599
  303    H    ILE  35           HN       ILE  35 -14.682  -3.965  -5.578
  304    HA   ILE  35           HA       ILE  35 -12.542  -4.799  -7.179
  305    HB   ILE  35           HB       ILE  35 -15.276  -3.873  -8.078
  306   1HG1  ILE  35          HG12      ILE  35 -14.323  -6.663  -7.396
  307   2HG1  ILE  35          HG11      ILE  35 -15.316  -5.662  -6.343
  308   1HG2  ILE  35          HG21      ILE  35 -13.262  -5.662  -9.434
  309   2HG2  ILE  35          HG22      ILE  35 -13.685  -4.019  -9.916
  310   3HG2  ILE  35          HG23      ILE  35 -14.885  -5.307 -10.023
  311   1HD1  ILE  35          HD11      ILE  35 -16.656  -7.302  -7.522
  312   2HD1  ILE  35          HD12      ILE  35 -16.093  -6.671  -9.070
  313   3HD1  ILE  35          HD13      ILE  35 -17.091  -5.668  -8.017
  314    H    ASP  36           HN       ASP  36 -14.321  -1.744  -7.078
  315    HA   ASP  36           HA       ASP  36 -13.128  -0.641  -9.400
  316   1HB   ASP  36          HB2       ASP  36 -15.320   0.019  -8.118
  317   2HB   ASP  36          HB1       ASP  36 -14.244   1.067  -7.201
  318    H    PHE  37           HN       PHE  37 -12.488  -0.261  -5.929
  319    HA   PHE  37           HA       PHE  37 -10.352   1.553  -6.125
  320   1HB   PHE  37          HB2       PHE  37 -11.122  -0.492  -4.062
  321   2HB   PHE  37          HB1       PHE  37  -9.623   0.412  -3.908
  322    HD1  PHE  37           HD1      PHE  37  -9.642   2.785  -3.453
  323    HD2  PHE  37           HD2      PHE  37 -13.268   0.581  -3.747
  324    HE1  PHE  37           HE1      PHE  37 -10.846   4.630  -2.362
  325    HE2  PHE  37           HE2      PHE  37 -14.480   2.427  -2.660
  326    HZ   PHE  37           HZ       PHE  37 -13.268   4.452  -1.964
  327    H    SER  38           HN       SER  38 -10.409  -1.987  -6.169
  328    HA   SER  38           HA       SER  38  -7.628  -2.380  -6.117
  329   1HB   SER  38          HB2       SER  38  -9.780  -4.153  -7.294
  330   2HB   SER  38          HB1       SER  38  -8.128  -4.654  -6.934
  331    HG   SER  38           HG       SER  38 -10.181  -3.904  -5.141
  332    H    ASN  39           HN       ASN  39  -9.867  -1.856  -8.788
  333    HA   ASN  39           HA       ASN  39  -8.010  -2.409 -10.852
  334   1HB   ASN  39          HB2       ASN  39 -10.576  -0.829 -10.799
  335   2HB   ASN  39          HB1       ASN  39  -9.613  -1.007 -12.263
  336   1HD2  ASN  39          HD21      ASN  39 -12.308  -1.919 -11.711
  337   2HD2  ASN  39          HD22      ASN  39 -12.295  -3.637 -11.937
  338    H    VAL  40           HN       VAL  40  -8.827   0.520  -9.068
  339    HA   VAL  40           HA       VAL  40  -7.198   2.279 -10.586
  340    HB   VAL  40           HB       VAL  40  -8.000   2.501  -7.672
  341   1HG1  VAL  40          HG11      VAL  40  -6.129   3.954  -8.174
  342   2HG1  VAL  40          HG12      VAL  40  -7.595   4.917  -7.979
  343   3HG1  VAL  40          HG13      VAL  40  -6.965   4.583  -9.592
  344   1HG2  VAL  40          HG21      VAL  40  -9.299   3.652 -10.139
  345   2HG2  VAL  40          HG22      VAL  40  -9.789   3.963  -8.474
  346   3HG2  VAL  40          HG23      VAL  40  -9.936   2.339  -9.148
  347    H    LEU  41           HN       LEU  41  -6.632   0.282  -7.730
  348    HA   LEU  41           HA       LEU  41  -4.005   1.108  -7.182
  349   1HB   LEU  41          HB2       LEU  41  -5.417  -1.497  -6.669
  350   2HB   LEU  41          HB1       LEU  41  -3.792  -1.164  -6.110
  351    HG   LEU  41           HG       LEU  41  -6.296   0.302  -5.286
  352   1HD1  LEU  41          HD11      LEU  41  -4.442  -1.578  -3.831
  353   2HD1  LEU  41          HD12      LEU  41  -6.122  -1.879  -4.270
  354   3HD1  LEU  41          HD13      LEU  41  -5.731  -0.648  -3.070
  355   1HD2  LEU  41          HD21      LEU  41  -3.433   0.717  -4.421
  356   2HD2  LEU  41          HD22      LEU  41  -4.846   1.521  -3.740
  357   3HD2  LEU  41          HD23      LEU  41  -4.382   1.825  -5.414
  358    H    SER  42           HN       SER  42  -5.260  -1.377  -9.356
  359    HA   SER  42           HA       SER  42  -2.747  -2.552  -9.948
  360   1HB   SER  42          HB2       SER  42  -5.086  -3.539 -10.331
  361   2HB   SER  42          HB1       SER  42  -5.139  -2.557 -11.792
  362    HG   SER  42           HG       SER  42  -3.259  -3.655 -12.511
  363    H    ARG  43           HN       ARG  43  -4.124   0.393 -10.809
  364    HA   ARG  43           HA       ARG  43  -2.544   0.712 -13.246
  365   1HB   ARG  43          HB2       ARG  43  -4.793   1.517 -13.393
  366   2HB   ARG  43          HB1       ARG  43  -4.649   2.397 -11.883
  367   1HG   ARG  43          HG2       ARG  43  -3.136   3.977 -12.910
  368   2HG   ARG  43          HG1       ARG  43  -3.164   3.056 -14.418
  369   1HD   ARG  43          HD2       ARG  43  -5.449   3.555 -14.783
  370   2HD   ARG  43          HD1       ARG  43  -5.644   4.190 -13.152
  371    HE   ARG  43           HE       ARG  43  -4.393   6.125 -13.802
  372   1HH1  ARG  43          HH11      ARG  43  -5.164   3.961 -16.458
  373   2HH1  ARG  43          HH12      ARG  43  -5.074   5.213 -17.659
  374   1HH2  ARG  43          HH21      ARG  43  -4.302   7.765 -15.383
  375   2HH2  ARG  43          HH22      ARG  43  -4.614   7.375 -17.045
  376    H    LEU  44           HN       LEU  44  -2.170   1.068  -9.958
  377    HA   LEU  44           HA       LEU  44  -0.273   3.303 -10.250
  378   1HB   LEU  44          HB2       LEU  44  -1.824   2.395  -7.828
  379   2HB   LEU  44          HB1       LEU  44  -0.591   3.640  -7.805
  380    HG   LEU  44           HG       LEU  44  -3.134   3.795  -9.415
  381   1HD1  LEU  44          HD11      LEU  44  -3.611   3.803  -7.024
  382   2HD1  LEU  44          HD12      LEU  44  -3.887   5.396  -7.728
  383   3HD1  LEU  44          HD13      LEU  44  -2.428   5.089  -6.785
  384   1HD2  LEU  44          HD21      LEU  44  -2.545   6.153  -9.669
  385   2HD2  LEU  44          HD22      LEU  44  -1.291   5.108 -10.340
  386   3HD2  LEU  44          HD23      LEU  44  -1.050   5.881  -8.772
  387    H    TYR  45           HN       TYR  45   1.786   2.959  -9.818
  388    HA   TYR  45           HA       TYR  45   2.537   0.461  -8.472
  389   1HB   TYR  45          HB2       TYR  45   3.751   1.994 -10.676
  390   2HB   TYR  45          HB1       TYR  45   4.892   1.420  -9.463
  391    HD1  TYR  45           HD1      TYR  45   2.468   0.389 -12.039
  392    HD2  TYR  45           HD2      TYR  45   5.328  -0.926  -9.175
  393    HE1  TYR  45           HE1      TYR  45   2.454  -1.855 -13.056
  394    HE2  TYR  45           HE2      TYR  45   5.324  -3.161 -10.183
  395    HH   TYR  45           HH       TYR  45   3.896  -3.830 -13.201
  396    H    VAL  46           HN       VAL  46   2.639   0.838  -6.389
  397    HA   VAL  46           HA       VAL  46   3.754   3.370  -5.423
  398    HB   VAL  46           HB       VAL  46   2.757   2.846  -3.284
  399   1HG1  VAL  46          HG11      VAL  46   0.833   2.303  -5.542
  400   2HG1  VAL  46          HG12      VAL  46   1.318   3.889  -4.941
  401   3HG1  VAL  46          HG13      VAL  46   0.386   2.802  -3.911
  402   1HG2  VAL  46          HG21      VAL  46   1.437   0.812  -2.922
  403   2HG2  VAL  46          HG22      VAL  46   3.131   0.440  -3.248
  404   3HG2  VAL  46          HG23      VAL  46   1.921   0.219  -4.512
  405    H    GLY  47           HN       GLY  47   5.290   3.296  -3.602
  406   1HA   GLY  47          HA2       GLY  47   6.546   1.012  -2.665
  407   2HA   GLY  47          HA1       GLY  47   7.397   1.468  -4.133
  408    H    VAL  48           HN       VAL  48   9.288   1.975  -3.134
  409    HA   VAL  48           HA       VAL  48  10.848   3.291  -2.139
  410    HB   VAL  48           HB       VAL  48   8.578   5.240  -1.700
  411   1HG1  VAL  48          HG11      VAL  48  10.322   6.907  -1.290
  412   2HG1  VAL  48          HG12      VAL  48  11.551   5.647  -1.399
  413   3HG1  VAL  48          HG13      VAL  48  10.370   5.615  -0.089
  414   1HG2  VAL  48          HG21      VAL  48  10.751   5.154  -3.787
  415   2HG2  VAL  48          HG22      VAL  48   9.589   6.463  -3.578
  416   3HG2  VAL  48          HG23      VAL  48   9.033   4.857  -4.054
  417    HA   PRO  49           HA       PRO  49  10.732   1.517   1.951
  418   1HB   PRO  49          HB2       PRO  49  12.716   3.734   2.304
  419   2HB   PRO  49          HB1       PRO  49  12.806   2.053   2.846
  420   1HG   PRO  49          HG2       PRO  49  14.126   2.838   0.675
  421   2HG   PRO  49          HG1       PRO  49  13.326   1.257   0.731
  422   1HD   PRO  49          HD2       PRO  49  12.548   3.715  -0.738
  423   2HD   PRO  49          HD1       PRO  49  12.229   2.017  -1.129
  424    H    THR  50           HN       THR  50   8.956   1.988   3.077
  425    HA   THR  50           HA       THR  50   8.737   4.606   4.354
  426    HB   THR  50           HB       THR  50   6.161   4.274   3.897
  427    HG1  THR  50           HG1      THR  50   7.230   3.117   1.531
  428   1HG2  THR  50          HG21      THR  50   7.444   6.214   3.150
  429   2HG2  THR  50          HG22      THR  50   6.353   5.668   1.876
  430   3HG2  THR  50          HG23      THR  50   8.073   5.289   1.786
  431    H    LYS  51           HN       LYS  51   6.924   4.516   6.072
  432    HA   LYS  51           HA       LYS  51   7.350   2.045   7.593
  433   1HB   LYS  51          HB2       LYS  51   6.714   3.284   9.548
  434   2HB   LYS  51          HB1       LYS  51   7.825   4.292   8.631
  435   1HG   LYS  51          HG2       LYS  51   6.075   5.683   7.853
  436   2HG   LYS  51          HG1       LYS  51   4.839   4.564   8.425
  437   1HD   LYS  51          HD2       LYS  51   4.893   6.359   9.972
  438   2HD   LYS  51          HD1       LYS  51   5.687   4.996  10.758
  439   1HE   LYS  51          HE2       LYS  51   6.923   7.043  11.162
  440   2HE   LYS  51          HE1       LYS  51   7.872   5.942  10.166
  441   1HZ   LYS  51          HZ1       LYS  51   6.207   8.048   8.932
  442   2HZ   LYS  51          HZ2       LYS  51   7.557   7.239   8.289
  443   3HZ   LYS  51          HZ3       LYS  51   7.763   8.398   9.510
  444    H    SER  52           HN       SER  52   5.415   1.446   9.056
  445    HA   SER  52           HA       SER  52   3.164   0.824   7.451
  446   1HB   SER  52          HB2       SER  52   2.233   0.277   9.885
  447   2HB   SER  52          HB1       SER  52   3.446  -0.749   9.114
  448    HG   SER  52           HG       SER  52   3.801   1.234  11.109
  449    H    GLY  53           HN       GLY  53   1.542   2.094   6.927
  450   1HA   GLY  53          HA2       GLY  53  -0.285   3.517   7.509
  451   2HA   GLY  53          HA1       GLY  53   0.691   4.186   8.811
  452    H    ASN  54           HN       ASN  54   1.946   3.648   5.595
  453    HA   ASN  54           HA       ASN  54   2.413   6.523   5.364
  454   1HB   ASN  54          HB2       ASN  54   3.848   6.003   3.463
  455   2HB   ASN  54          HB1       ASN  54   4.288   5.007   4.843
  456   1HD2  ASN  54          HD21      ASN  54   4.060   2.815   4.729
  457   2HD2  ASN  54          HD22      ASN  54   3.678   1.988   3.260
  458    H    VAL  55           HN       VAL  55   1.399   7.852   3.969
  459    HA   VAL  55           HA       VAL  55  -1.038   6.799   2.803
  460    HB   VAL  55           HB       VAL  55  -0.055   9.658   2.917
  461   1HG1  VAL  55          HG11      VAL  55  -1.680   9.304   1.141
  462   2HG1  VAL  55          HG12      VAL  55  -2.388  10.252   2.450
  463   3HG1  VAL  55          HG13      VAL  55  -2.783   8.540   2.285
  464   1HG2  VAL  55          HG21      VAL  55  -1.996   8.197   4.702
  465   2HG2  VAL  55          HG22      VAL  55  -1.648   9.925   4.763
  466   3HG2  VAL  55          HG23      VAL  55  -0.383   8.757   5.148
  467    H    VAL  56           HN       VAL  56  -1.276   6.313   0.732
  468    HA   VAL  56           HA       VAL  56   0.762   7.143  -1.197
  469    HB   VAL  56           HB       VAL  56  -1.593   5.277  -1.573
  470   1HG1  VAL  56          HG11      VAL  56  -0.850   6.294  -3.660
  471   2HG1  VAL  56          HG12      VAL  56  -0.435   4.581  -3.613
  472   3HG1  VAL  56          HG13      VAL  56   0.809   5.798  -3.322
  473   1HG2  VAL  56          HG21      VAL  56   0.037   3.472  -1.452
  474   2HG2  VAL  56          HG22      VAL  56   0.023   4.405   0.046
  475   3HG2  VAL  56          HG23      VAL  56   1.318   4.638  -1.128
  476    H    CYS  57           HN       CYS  57  -2.734   6.722  -1.571
  477    HA   CYS  57           HA       CYS  57  -2.836   9.372  -2.835
  478   1HB   CYS  57          HB2       CYS  57  -4.568   6.958  -3.413
  479   2HB   CYS  57          HB1       CYS  57  -4.698   8.527  -4.199
  480    HG   CYS  57           HG       CYS  57  -2.855   8.183  -5.980
  481    H    LYS  58           HN       LYS  58  -3.460  10.603  -1.148
  482    HA   LYS  58           HA       LYS  58  -5.623   9.842   0.588
  483   1HB   LYS  58          HB2       LYS  58  -3.802  11.288   1.404
  484   2HB   LYS  58          HB1       LYS  58  -4.239  12.510   0.219
  485   1HG   LYS  58          HG2       LYS  58  -6.384  12.832   1.294
  486   2HG   LYS  58          HG1       LYS  58  -6.018  11.547   2.445
  487   1HD   LYS  58          HD2       LYS  58  -4.106  12.854   3.268
  488   2HD   LYS  58          HD1       LYS  58  -4.520  14.148   2.142
  489   1HE   LYS  58          HE2       LYS  58  -6.702  14.391   3.240
  490   2HE   LYS  58          HE1       LYS  58  -6.269  13.110   4.371
  491   1HZ   LYS  58          HZ1       LYS  58  -4.405  14.497   5.120
  492   2HZ   LYS  58          HZ2       LYS  58  -5.907  15.247   5.374
  493   3HZ   LYS  58          HZ3       LYS  58  -4.920  15.741   4.086
  494    H    ASN  59           HN       ASN  59  -7.736  10.220   0.272
  495    HA   ASN  59           HA       ASN  59  -9.687  10.839  -0.733
  496   1HB   ASN  59          HB2       ASN  59  -8.656  13.159  -0.213
  497   2HB   ASN  59          HB1       ASN  59  -8.247  13.215  -1.923
  498   1HD2  ASN  59          HD21      ASN  59 -10.750  13.405   0.436
  499   2HD2  ASN  59          HD22      ASN  59 -12.016  13.897  -0.639
  500    H    ILE  60           HN       ILE  60  -8.201   8.948  -1.968
  501    HA   ILE  60           HA       ILE  60  -7.190   9.366  -4.511
  502    HB   ILE  60           HB       ILE  60  -6.670   7.345  -3.403
  503   1HG1  ILE  60          HG12      ILE  60  -8.468   6.689  -5.744
  504   2HG1  ILE  60          HG11      ILE  60  -6.780   7.178  -5.846
  505   1HG2  ILE  60          HG21      ILE  60  -8.305   5.613  -2.858
  506   2HG2  ILE  60          HG22      ILE  60  -9.603   6.659  -3.430
  507   3HG2  ILE  60          HG23      ILE  60  -8.651   7.127  -2.021
  508   1HD1  ILE  60          HD11      ILE  60  -7.809   4.660  -4.554
  509   2HD1  ILE  60          HD12      ILE  60  -6.117   5.146  -4.668
  510   3HD1  ILE  60          HD13      ILE  60  -7.032   4.777  -6.133
  511    H    MET  61           HN       MET  61 -10.461   8.261  -3.658
  512    HA   MET  61           HA       MET  61 -11.285   8.906  -6.408
  513   1HB   MET  61          HB2       MET  61 -12.439   6.889  -4.475
  514   2HB   MET  61          HB1       MET  61 -13.129   7.273  -6.044
  515   1HG   MET  61          HG2       MET  61 -11.136   6.459  -7.150
  516   2HG   MET  61          HG1       MET  61 -10.383   6.131  -5.591
  517   1HE   MET  61          HE1       MET  61 -13.356   5.224  -7.984
  518   2HE   MET  61          HE2       MET  61 -14.165   5.585  -6.460
  519   3HE   MET  61          HE3       MET  61 -14.153   3.935  -7.084
  520    H    ASN  62           HN       ASN  62 -11.060  10.749  -4.203
  521    HA   ASN  62           HA       ASN  62 -12.188  12.473  -3.240
  522   1HB   ASN  62          HB2       ASN  62 -14.408  11.640  -5.126
  523   2HB   ASN  62          HB1       ASN  62 -14.346  13.158  -4.237
  524   1HD2  ASN  62          HD21      ASN  62 -12.928  14.757  -4.890
  525   2HD2  ASN  62          HD22      ASN  62 -12.133  14.726  -6.433
  526    H    THR  63           HN       THR  63 -12.372   9.721  -2.226
  527    HA   THR  63           HA       THR  63 -15.044   9.409  -1.165
  528    HB   THR  63           HB       THR  63 -14.122   7.314  -0.194
  529    HG1  THR  63           HG1      THR  63 -11.978   6.797  -0.544
  530   1HG2  THR  63          HG21      THR  63 -13.414   7.713  -3.102
  531   2HG2  THR  63          HG22      THR  63 -15.031   7.357  -2.491
  532   3HG2  THR  63          HG23      THR  63 -13.737   6.170  -2.309
  533    H    GLY  64           HN       GLY  64 -12.065  10.772  -0.165
  534   1HA   GLY  64          HA2       GLY  64 -11.623  11.909   1.832
  535   2HA   GLY  64          HA1       GLY  64 -13.079  11.203   2.524
  536    H    VAL  65           HN       VAL  65 -11.459   8.760   1.037
  537    HA   VAL  65           HA       VAL  65 -10.338   7.800   3.542
  538    HB   VAL  65           HB       VAL  65 -10.782   6.463   0.870
  539   1HG1  VAL  65          HG11      VAL  65  -8.671   5.632   1.732
  540   2HG1  VAL  65          HG12      VAL  65  -9.918   4.396   1.901
  541   3HG1  VAL  65          HG13      VAL  65  -9.406   5.330   3.307
  542   1HG2  VAL  65          HG21      VAL  65 -11.847   5.885   3.628
  543   2HG2  VAL  65          HG22      VAL  65 -12.254   5.014   2.150
  544   3HG2  VAL  65          HG23      VAL  65 -12.731   6.703   2.338
  545    H    ASP  66           HN       ASP  66  -8.272   7.850   4.025
  546    HA   ASP  66           HA       ASP  66  -6.298   8.580   1.999
  547   1HB   ASP  66          HB2       ASP  66  -5.529   8.069   4.837
  548   2HB   ASP  66          HB1       ASP  66  -4.951   9.309   3.728
  549    H    ILE  67           HN       ILE  67  -5.586   6.863   0.870
  550    HA   ILE  67           HA       ILE  67  -5.602   4.202   1.955
  551    HB   ILE  67           HB       ILE  67  -4.430   5.252  -0.633
  552   1HG1  ILE  67          HG12      ILE  67  -6.867   5.497  -0.493
  553   2HG1  ILE  67          HG11      ILE  67  -6.428   4.267  -1.674
  554   1HG2  ILE  67          HG21      ILE  67  -4.364   2.913  -1.360
  555   2HG2  ILE  67          HG22      ILE  67  -4.895   2.400   0.242
  556   3HG2  ILE  67          HG23      ILE  67  -3.329   3.184   0.043
  557   1HD1  ILE  67          HD11      ILE  67  -6.965   2.523  -0.059
  558   2HD1  ILE  67          HD12      ILE  67  -8.342   3.583  -0.347
  559   3HD1  ILE  67          HD13      ILE  67  -7.396   3.751   1.131
  560    H    ILE  68           HN       ILE  68  -4.063   3.305   3.135
  561    HA   ILE  68           HA       ILE  68  -1.357   4.453   3.039
  562    HB   ILE  68           HB       ILE  68  -1.165   4.083   5.478
  563   1HG1  ILE  68          HG12      ILE  68  -4.151   3.585   5.360
  564   2HG1  ILE  68          HG11      ILE  68  -2.929   2.362   5.696
  565   1HG2  ILE  68          HG21      ILE  68  -1.671   6.298   4.665
  566   2HG2  ILE  68          HG22      ILE  68  -2.550   6.005   6.167
  567   3HG2  ILE  68          HG23      ILE  68  -3.393   5.921   4.620
  568   1HD1  ILE  68          HD11      ILE  68  -3.498   4.787   7.386
  569   2HD1  ILE  68          HD12      ILE  68  -2.299   3.540   7.726
  570   3HD1  ILE  68          HD13      ILE  68  -4.015   3.135   7.731
  571    H    CYS  69           HN       CYS  69   0.290   3.026   2.984
  572    HA   CYS  69           HA       CYS  69  -0.345   0.184   2.918
  573   1HB   CYS  69          HB2       CYS  69   2.435   1.318   2.757
  574   2HB   CYS  69          HB1       CYS  69   1.798  -0.153   2.030
  575    HG   CYS  69           HG       CYS  69   1.967   2.914   0.792
  576    H    THR  70           HN       THR  70   0.100  -1.234   4.551
  577    HA   THR  70           HA       THR  70   1.067   0.003   7.034
  578    HB   THR  70           HB       THR  70  -1.214  -1.035   7.028
  579    HG1  THR  70           HG1      THR  70   0.717  -2.268   8.736
  580   1HG2  THR  70          HG21      THR  70  -0.751  -2.899   5.498
  581   2HG2  THR  70          HG22      THR  70  -1.428  -3.470   7.023
  582   3HG2  THR  70          HG23      THR  70   0.298  -3.633   6.710
  583    H    LYS  71           HN       LYS  71   2.376  -1.572   4.612
  584    HA   LYS  71           HA       LYS  71   4.018  -3.419   6.175
  585   1HB   LYS  71          HB2       LYS  71   3.195  -4.303   4.100
  586   2HB   LYS  71          HB1       LYS  71   3.743  -2.890   3.214
  587   1HG   LYS  71          HG2       LYS  71   5.371  -4.368   2.641
  588   2HG   LYS  71          HG1       LYS  71   6.102  -3.680   4.087
  589   1HD   LYS  71          HD2       LYS  71   4.423  -6.173   4.165
  590   2HD   LYS  71          HD1       LYS  71   6.154  -6.216   3.840
  591   1HE   LYS  71          HE2       LYS  71   6.467  -4.963   6.005
  592   2HE   LYS  71          HE1       LYS  71   4.762  -5.265   6.331
  593   1HZ   LYS  71          HZ1       LYS  71   6.836  -7.347   5.884
  594   2HZ   LYS  71          HZ2       LYS  71   5.194  -7.647   6.185
  595   3HZ   LYS  71          HZ3       LYS  71   6.157  -6.924   7.382
  596    H    ASN  72           HN       ASN  72   6.070  -2.958   6.731
  597    HA   ASN  72           HA       ASN  72   7.162  -0.367   5.993
  598   1HB   ASN  72          HB2       ASN  72   8.237  -2.548   7.803
  599   2HB   ASN  72          HB1       ASN  72   9.052  -1.017   7.514
  600   1HD2  ASN  72          HD21      ASN  72   5.595  -1.507   7.903
  601   2HD2  ASN  72          HD22      ASN  72   5.443  -0.625   9.383
  602    H    LEU  73           HN       LEU  73   8.605  -0.053   4.420
  603    HA   LEU  73           HA       LEU  73   9.451  -2.431   2.936
  604   1HB   LEU  73          HB2       LEU  73   9.374   0.483   2.181
  605   2HB   LEU  73          HB1       LEU  73  10.164  -0.723   1.192
  606    HG   LEU  73           HG       LEU  73   7.927  -1.925   1.095
  607   1HD1  LEU  73          HD11      LEU  73   6.939   0.735   2.106
  608   2HD1  LEU  73          HD12      LEU  73   6.854  -0.797   2.975
  609   3HD1  LEU  73          HD13      LEU  73   5.938  -0.576   1.483
  610   1HD2  LEU  73          HD21      LEU  73   8.160   0.818  -0.125
  611   2HD2  LEU  73          HD22      LEU  73   7.094  -0.473  -0.679
  612   3HD2  LEU  73          HD23      LEU  73   8.843  -0.673  -0.774
  613    HA   PRO  74           HA       PRO  74  13.514  -1.623   4.666
  614   1HB   PRO  74          HB2       PRO  74  14.373  -4.159   4.623
  615   2HB   PRO  74          HB1       PRO  74  13.191  -3.605   5.812
  616   1HG   PRO  74          HG2       PRO  74  12.795  -5.259   3.380
  617   2HG   PRO  74          HG1       PRO  74  11.921  -5.292   4.920
  618   1HD   PRO  74          HD2       PRO  74  11.103  -4.023   2.530
  619   2HD   PRO  74          HD1       PRO  74  10.358  -3.857   4.129
  620    H    LYS  75           HN       LYS  75  15.361  -1.129   3.670
  621    HA   LYS  75           HA       LYS  75  15.840  -2.184   0.958
  622   1HB   LYS  75          HB2       LYS  75  15.281   0.265   1.096
  623   2HB   LYS  75          HB1       LYS  75  16.716   0.489   2.083
  624   1HG   LYS  75          HG2       LYS  75  18.139  -0.131   0.253
  625   2HG   LYS  75          HG1       LYS  75  16.742  -0.566  -0.737
  626   1HD   LYS  75          HD2       LYS  75  15.972   1.765  -0.649
  627   2HD   LYS  75          HD1       LYS  75  17.386   2.190   0.316
  628   1HE   LYS  75          HE2       LYS  75  17.492   1.035  -2.469
  629   2HE   LYS  75          HE1       LYS  75  17.599   2.757  -2.098
  630   1HZ   LYS  75          HZ1       LYS  75  19.520   0.614  -1.386
  631   2HZ   LYS  75          HZ2       LYS  75  19.556   2.141  -0.659
  632   3HZ   LYS  75          HZ3       LYS  75  19.794   1.995  -2.330
  633    H    ASP  76           HN       ASP  76  18.118  -2.502   0.406
  634    HA   ASP  76           HA       ASP  76  19.569  -3.898   2.322
  635   1HB   ASP  76          HB2       ASP  76  20.505  -2.577  -0.229
  636   2HB   ASP  76          HB1       ASP  76  21.531  -3.614   0.757
  637    H    SER  77           HN       SER  77  20.302  -3.098   4.162
  638    HA   SER  77           HA       SER  77  21.742  -0.539   4.100
  639   1HB   SER  77          HB2       SER  77  19.939  -1.482   6.342
  640   2HB   SER  77          HB1       SER  77  20.763   0.073   6.231
  641    HG   SER  77           HG       SER  77  18.753  -0.884   4.457
  642    H    LEU  78           HN       LEU  78  23.738  -1.455   4.087
  643    HA   LEU  78           HA       LEU  78  25.684  -2.157   4.983
  644   1HB   LEU  78          HB2       LEU  78  25.069  -0.757   6.875
  645   2HB   LEU  78          HB1       LEU  78  24.156  -2.078   7.580
  646    HG   LEU  78           HG       LEU  78  26.228  -3.362   7.873
  647   1HD1  LEU  78          HD11      LEU  78  27.598  -0.890   6.824
  648   2HD1  LEU  78          HD12      LEU  78  27.504  -2.451   6.009
  649   3HD1  LEU  78          HD13      LEU  78  28.395  -2.299   7.524
  650   1HD2  LEU  78          HD21      LEU  78  26.345  -0.579   9.026
  651   2HD2  LEU  78          HD22      LEU  78  27.190  -1.995   9.651
  652   3HD2  LEU  78          HD23      LEU  78  25.428  -1.938   9.677
  653    H    GLU  79           HN       GLU  79  26.308  -4.089   4.335
  654    HA   GLU  79           HA       GLU  79  24.960  -6.512   5.056
  655   1HB   GLU  79          HB2       GLU  79  27.360  -5.800   3.445
  656   2HB   GLU  79          HB1       GLU  79  27.221  -7.453   4.031
  657   1HG   GLU  79          HG2       GLU  79  25.100  -6.039   2.437
  658   2HG   GLU  79          HG1       GLU  79  26.329  -7.101   1.746
  659    H    HIS  80           HN       HIS  80  25.379  -5.469   7.401
  660    HA   HIS  80           HA       HIS  80  27.592  -7.051   8.540
  661   1HB   HIS  80          HB2       HIS  80  27.834  -4.666   9.043
  662   2HB   HIS  80          HB1       HIS  80  26.198  -4.616   9.686
  663    HD1  HIS  80           HD1      HIS  80  26.184  -4.592  12.149
  664    HD2  HIS  80           HD2      HIS  80  29.411  -6.749  10.654
  665    HE1  HIS  80           HE1      HIS  80  27.453  -5.396  14.163
  666    HE2  HIS  80           HE2      HIS  80  29.519  -6.493  13.230
  667    H    HIS  81           HN       HIS  81  24.239  -6.034   8.908
  668    HA   HIS  81           HA       HIS  81  22.383  -7.100   9.629
  669   1HB   HIS  81          HB2       HIS  81  24.156  -9.547   9.497
  670   2HB   HIS  81          HB1       HIS  81  22.430  -9.599   9.833
  671    HD1  HIS  81           HD1      HIS  81  20.945  -9.824   7.856
  672    HD2  HIS  81           HD2      HIS  81  24.728  -8.425   6.831
  673    HE1  HIS  81           HE1      HIS  81  20.980  -9.733   5.339
  674    HE2  HIS  81           HE2      HIS  81  23.218  -8.717   4.747
  675    H    HIS  82           HN       HIS  82  21.424  -8.260  11.475
  676    HA   HIS  82           HA       HIS  82  23.119  -8.841  13.728
  677   1HB   HIS  82          HB2       HIS  82  21.772  -7.409  15.307
  678   2HB   HIS  82          HB1       HIS  82  22.825  -6.517  14.222
  679    HD1  HIS  82           HD1      HIS  82  21.695  -5.014  12.435
  680    HD2  HIS  82           HD2      HIS  82  19.030  -6.952  14.980
  681    HE1  HIS  82           HE1      HIS  82  19.485  -3.865  12.110
  682    HE2  HIS  82           HE2      HIS  82  17.921  -4.956  13.755
  683    H    HIS  83           HN       HIS  83  22.477 -10.885  13.835
  684    HA   HIS  83           HA       HIS  83  19.580 -11.390  14.125
  685   1HB   HIS  83          HB2       HIS  83  20.650 -12.286  11.999
  686   2HB   HIS  83          HB1       HIS  83  21.601 -13.353  13.023
  687    HD1  HIS  83           HD1      HIS  83  20.142 -15.129  14.480
  688    HD2  HIS  83           HD2      HIS  83  18.170 -13.201  11.360
  689    HE1  HIS  83           HE1      HIS  83  18.084 -16.500  14.018
  690    HE2  HIS  83           HE2      HIS  83  16.874 -15.291  12.169
  691    H    HIS  84           HN       HIS  84  19.205 -11.758  16.203
  692    HA   HIS  84           HA       HIS  84  20.926 -13.704  17.565
  693   1HB   HIS  84          HB2       HIS  84  21.624 -11.530  18.396
  694   2HB   HIS  84          HB1       HIS  84  19.955 -11.090  18.741
  695    HD1  HIS  84           HD1      HIS  84  22.074 -14.117  19.729
  696    HD2  HIS  84           HD2      HIS  84  19.617 -11.210  21.411
  697    HE1  HIS  84           HE1      HIS  84  21.951 -14.666  22.176
  698    HE2  HIS  84           HE2      HIS  84  20.399 -12.948  23.170
  699    H    HIS  85           HN       HIS  85  19.378 -15.271  17.172
  700    HA   HIS  85           HA       HIS  85  17.389 -15.436  19.221
  701   1HB   HIS  85          HB2       HIS  85  16.284 -14.109  17.309
  702   2HB   HIS  85          HB1       HIS  85  16.323 -15.621  16.406
  703    HD1  HIS  85           HD1      HIS  85  14.483 -13.819  19.029
  704    HD2  HIS  85           HD2      HIS  85  14.671 -17.697  17.534
  705    HE1  HIS  85           HE1      HIS  85  12.459 -15.000  19.945
  706    HE2  HIS  85           HE2      HIS  85  12.701 -17.389  19.188
  Start of MODEL   13
    1   1H    MET   1          HT1       MET   1 -24.229  -0.673   1.962
    2   2H    MET   1          HT2       MET   1 -23.124  -1.886   1.558
    3   3H    MET   1          HT3       MET   1 -22.715  -0.726   2.718
    4    HA   MET   1           HA       MET   1 -24.433  -1.540   4.187
    5   1HB   MET   1          HB2       MET   1 -25.668  -3.565   3.665
    6   2HB   MET   1          HB1       MET   1 -25.955  -2.363   2.420
    7   1HG   MET   1          HG2       MET   1 -24.039  -4.674   2.177
    8   2HG   MET   1          HG1       MET   1 -25.679  -4.643   1.536
    9   1HE   MET   1          HE1       MET   1 -25.973  -1.692   0.441
   10   2HE   MET   1          HE2       MET   1 -26.467  -3.121  -0.465
   11   3HE   MET   1          HE3       MET   1 -25.452  -1.899  -1.229
   12    H    HIS   2           HN       HIS   2 -23.427  -2.446   5.832
   13    HA   HIS   2           HA       HIS   2 -21.719  -3.328   7.027
   14   1HB   HIS   2          HB2       HIS   2 -22.262  -5.561   5.083
   15   2HB   HIS   2          HB1       HIS   2 -21.063  -5.713   6.363
   16    HD1  HIS   2           HD1      HIS   2 -21.993  -5.560   8.853
   17    HD2  HIS   2           HD2      HIS   2 -24.866  -5.933   5.868
   18    HE1  HIS   2           HE1      HIS   2 -24.103  -6.258  10.023
   19    HE2  HIS   2           HE2      HIS   2 -25.872  -6.252   8.232
   20    H    LYS   3           HN       LYS   3 -20.253  -1.721   6.442
   21    HA   LYS   3           HA       LYS   3 -18.581  -1.997   4.137
   22   1HB   LYS   3          HB2       LYS   3 -18.359  -0.162   6.526
   23   2HB   LYS   3          HB1       LYS   3 -17.392  -0.036   5.060
   24   1HG   LYS   3          HG2       LYS   3 -19.481   0.291   3.770
   25   2HG   LYS   3          HG1       LYS   3 -20.374   0.293   5.293
   26   1HD   LYS   3          HD2       LYS   3 -19.094   2.235   6.042
   27   2HD   LYS   3          HD1       LYS   3 -18.186   2.224   4.529
   28   1HE   LYS   3          HE2       LYS   3 -20.323   2.553   3.308
   29   2HE   LYS   3          HE1       LYS   3 -21.145   2.700   4.861
   30   1HZ   LYS   3          HZ1       LYS   3 -19.789   4.620   5.374
   31   2HZ   LYS   3          HZ2       LYS   3 -20.608   4.863   3.908
   32   3HZ   LYS   3          HZ3       LYS   3 -18.958   4.467   3.902
   33    H    ASP   4           HN       ASP   4 -16.221  -2.052   4.263
   34    HA   ASP   4           HA       ASP   4 -15.189  -3.556   6.560
   35   1HB   ASP   4          HB2       ASP   4 -15.904  -5.151   4.744
   36   2HB   ASP   4          HB1       ASP   4 -14.719  -4.393   3.688
   37    H    ILE   5           HN       ILE   5 -12.922  -3.348   6.849
   38    HA   ILE   5           HA       ILE   5 -11.779  -0.959   5.782
   39    HB   ILE   5           HB       ILE   5 -10.547  -3.188   7.410
   40   1HG1  ILE   5          HG12      ILE   5 -12.249  -1.818   8.561
   41   2HG1  ILE   5          HG11      ILE   5 -10.643  -1.573   9.241
   42   1HG2  ILE   5          HG21      ILE   5  -9.345  -0.549   6.584
   43   2HG2  ILE   5          HG22      ILE   5  -8.820  -2.149   6.061
   44   3HG2  ILE   5          HG23      ILE   5  -8.640  -1.671   7.749
   45   1HD1  ILE   5          HD11      ILE   5 -10.441   0.507   7.952
   46   2HD1  ILE   5          HD12      ILE   5 -11.812   0.531   9.060
   47   3HD1  ILE   5          HD13      ILE   5 -12.075   0.265   7.336
   48    H    PHE   6           HN       PHE   6 -11.171  -0.837   3.755
   49    HA   PHE   6           HA       PHE   6 -10.771  -3.010   2.042
   50   1HB   PHE   6          HB2       PHE   6 -11.372  -0.856   1.140
   51   2HB   PHE   6          HB1       PHE   6  -9.919  -0.117   1.803
   52    HD1  PHE   6           HD1      PHE   6 -11.096  -2.615  -0.672
   53    HD2  PHE   6           HD2      PHE   6  -7.954  -0.025   0.561
   54    HE1  PHE   6           HE1      PHE   6  -9.904  -3.063  -2.776
   55    HE2  PHE   6           HE2      PHE   6  -6.759  -0.465  -1.541
   56    HZ   PHE   6           HZ       PHE   6  -7.735  -1.988  -3.212
   57    H    THR   7           HN       THR   7  -9.278  -4.476   2.698
   58    HA   THR   7           HA       THR   7  -6.508  -3.503   2.926
   59    HB   THR   7           HB       THR   7  -7.605  -6.155   3.907
   60    HG1  THR   7           HG1      THR   7  -8.363  -4.053   4.937
   61   1HG2  THR   7          HG21      THR   7  -5.014  -4.703   4.475
   62   2HG2  THR   7          HG22      THR   7  -5.198  -6.158   3.493
   63   3HG2  THR   7          HG23      THR   7  -5.528  -6.216   5.224
   64    H    SER   8           HN       SER   8  -5.243  -3.966   1.227
   65    HA   SER   8           HA       SER   8  -5.662  -6.356  -0.367
   66   1HB   SER   8          HB2       SER   8  -5.993  -3.591  -1.563
   67   2HB   SER   8          HB1       SER   8  -5.935  -5.099  -2.477
   68    HG   SER   8           HG       SER   8  -7.761  -5.291  -0.512
   69    H    VAL   9           HN       VAL   9  -4.192  -5.424  -2.622
   70    HA   VAL   9           HA       VAL   9  -1.594  -4.746  -1.434
   71    HB   VAL   9           HB       VAL   9  -1.638  -7.156  -1.887
   72   1HG1  VAL   9          HG11      VAL   9  -3.293  -7.247  -3.641
   73   2HG1  VAL   9          HG12      VAL   9  -1.793  -7.986  -4.201
   74   3HG1  VAL   9          HG13      VAL   9  -2.229  -6.363  -4.734
   75   1HG2  VAL   9          HG21      VAL   9   0.106  -5.619  -3.806
   76   2HG2  VAL   9          HG22      VAL   9   0.348  -7.300  -3.324
   77   3HG2  VAL   9          HG23      VAL   9   0.479  -6.009  -2.126
   78    H    VAL  10           HN       VAL  10  -0.404  -3.276  -2.530
   79    HA   VAL  10           HA       VAL  10  -1.441  -2.367  -5.130
   80    HB   VAL  10           HB       VAL  10  -1.401  -0.611  -3.387
   81   1HG1  VAL  10          HG11      VAL  10   0.466  -1.435  -2.060
   82   2HG1  VAL  10          HG12      VAL  10   0.715   0.247  -2.528
   83   3HG1  VAL  10          HG13      VAL  10   1.581  -1.039  -3.368
   84   1HG2  VAL  10          HG21      VAL  10  -0.166   1.090  -4.665
   85   2HG2  VAL  10          HG22      VAL  10  -1.142   0.051  -5.703
   86   3HG2  VAL  10          HG23      VAL  10   0.602  -0.192  -5.601
   87    H    ARG  11           HN       ARG  11   0.009  -2.184  -6.869
   88    HA   ARG  11           HA       ARG  11   2.253  -3.983  -6.649
   89   1HB   ARG  11          HB2       ARG  11   1.080  -2.496  -9.003
   90   2HB   ARG  11          HB1       ARG  11   2.488  -3.549  -9.121
   91   1HG   ARG  11          HG2       ARG  11   1.147  -5.419  -8.272
   92   2HG   ARG  11          HG1       ARG  11  -0.261  -4.363  -8.205
   93   1HD   ARG  11          HD2       ARG  11  -0.188  -4.072 -10.611
   94   2HD   ARG  11          HD1       ARG  11   1.283  -5.043 -10.705
   95    HE   ARG  11           HE       ARG  11  -0.351  -6.785  -9.562
   96   1HH1  ARG  11          HH11      ARG  11  -1.002  -4.606 -12.221
   97   2HH1  ARG  11          HH12      ARG  11  -2.144  -5.673 -12.979
   98   1HH2  ARG  11          HH21      ARG  11  -1.853  -8.174 -10.534
   99   2HH2  ARG  11          HH22      ARG  11  -2.633  -7.708 -12.024
  100    H    VAL  12           HN       VAL  12   4.356  -3.502  -6.764
  101    HA   VAL  12           HA       VAL  12   4.985  -0.677  -6.241
  102    HB   VAL  12           HB       VAL  12   5.964  -3.214  -4.935
  103   1HG1  VAL  12          HG11      VAL  12   7.496  -1.844  -3.610
  104   2HG1  VAL  12          HG12      VAL  12   7.102  -0.449  -4.613
  105   3HG1  VAL  12          HG13      VAL  12   7.916  -1.844  -5.321
  106   1HG2  VAL  12          HG21      VAL  12   5.197  -2.102  -2.886
  107   2HG2  VAL  12          HG22      VAL  12   3.896  -2.305  -4.060
  108   3HG2  VAL  12          HG23      VAL  12   4.654  -0.726  -3.848
  109    H    ARG  13           HN       ARG  13   7.008   0.119  -6.941
  110    HA   ARG  13           HA       ARG  13   8.331  -1.602  -8.928
  111   1HB   ARG  13          HB2       ARG  13   7.387   0.726  -9.571
  112   2HB   ARG  13          HB1       ARG  13   8.785   1.362  -8.710
  113   1HG   ARG  13          HG2       ARG  13  10.298   0.312 -10.200
  114   2HG   ARG  13          HG1       ARG  13   9.015  -0.656 -10.926
  115   1HD   ARG  13          HD2       ARG  13   9.529   1.097 -12.449
  116   2HD   ARG  13          HD1       ARG  13   7.971   1.475 -11.716
  117    HE   ARG  13           HE       ARG  13  10.193   2.690 -10.354
  118   1HH1  ARG  13          HH11      ARG  13   7.998   3.008 -13.063
  119   2HH1  ARG  13          HH12      ARG  13   8.097   4.737 -13.124
  120   1HH2  ARG  13          HH21      ARG  13  10.353   4.974 -10.431
  121   2HH2  ARG  13          HH22      ARG  13   9.449   5.860 -11.624
  122    H    GLY  14           HN       GLY  14  10.544  -1.835  -8.890
  123   1HA   GLY  14          HA2       GLY  14  11.645  -2.069  -6.301
  124   2HA   GLY  14          HA1       GLY  14  12.454  -2.434  -7.813
  125    H    SER  15           HN       SER  15  11.280   0.541  -6.204
  126    HA   SER  15           HA       SER  15  13.869   1.811  -6.571
  127   1HB   SER  15          HB2       SER  15  11.531   2.715  -4.855
  128   2HB   SER  15          HB1       SER  15  12.875   3.707  -5.431
  129    HG   SER  15           HG       SER  15  10.854   3.878  -6.660
  130    H    LYS  16           HN       LYS  16  12.813  -0.607  -4.896
  131    HA   LYS  16           HA       LYS  16  14.856  -0.591  -2.917
  132   1HB   LYS  16          HB2       LYS  16  13.050  -1.192  -1.110
  133   2HB   LYS  16          HB1       LYS  16  13.446   0.489  -1.423
  134   1HG   LYS  16          HG2       LYS  16  11.069   0.219  -1.192
  135   2HG   LYS  16          HG1       LYS  16  11.467   0.690  -2.841
  136   1HD   LYS  16          HD2       LYS  16  10.721  -1.262  -3.724
  137   2HD   LYS  16          HD1       LYS  16  11.254  -2.213  -2.325
  138   1HE   LYS  16          HE2       LYS  16   8.790  -2.104  -2.551
  139   2HE   LYS  16          HE1       LYS  16   9.380  -1.450  -1.023
  140   1HZ   LYS  16          HZ1       LYS  16   9.247   0.791  -2.100
  141   2HZ   LYS  16          HZ2       LYS  16   7.756   0.041  -1.838
  142   3HZ   LYS  16          HZ3       LYS  16   8.432   0.059  -3.390
  143    H    LYS  17           HN       LYS  17  14.218  -2.830  -1.492
  144    HA   LYS  17           HA       LYS  17  14.138  -4.740  -3.702
  145   1HB   LYS  17          HB2       LYS  17  15.957  -4.596  -1.811
  146   2HB   LYS  17          HB1       LYS  17  14.785  -5.534  -0.895
  147   1HG   LYS  17          HG2       LYS  17  14.774  -7.203  -2.749
  148   2HG   LYS  17          HG1       LYS  17  16.095  -6.302  -3.496
  149   1HD   LYS  17          HD2       LYS  17  17.107  -8.061  -2.282
  150   2HD   LYS  17          HD1       LYS  17  17.349  -6.603  -1.316
  151   1HE   LYS  17          HE2       LYS  17  16.683  -8.342   0.169
  152   2HE   LYS  17          HE1       LYS  17  15.318  -7.239  -0.004
  153   1HZ   LYS  17          HZ1       LYS  17  14.515  -8.847  -1.786
  154   2HZ   LYS  17          HZ2       LYS  17  14.403  -9.362  -0.176
  155   3HZ   LYS  17          HZ3       LYS  17  15.654  -9.942  -1.163
  156    H    TYR  18           HN       TYR  18  11.780  -4.441  -3.884
  157    HA   TYR  18           HA       TYR  18  10.424  -6.677  -2.831
  158   1HB   TYR  18          HB2       TYR  18  10.434  -4.836  -0.907
  159   2HB   TYR  18          HB1       TYR  18   9.094  -4.187  -1.844
  160    HD1  TYR  18           HD1      TYR  18   9.227  -7.687  -2.252
  161    HD2  TYR  18           HD2      TYR  18   7.995  -4.682   0.497
  162    HE1  TYR  18           HE1      TYR  18   7.727  -9.304  -1.169
  163    HE2  TYR  18           HE2      TYR  18   6.485  -6.292   1.585
  164    HH   TYR  18           HH       TYR  18   6.649  -9.648   0.988
  165    H    ASN  19           HN       ASN  19   8.466  -7.039  -3.952
  166    HA   ASN  19           HA       ASN  19   8.258  -5.366  -6.343
  167   1HB   ASN  19          HB2       ASN  19   7.203  -8.152  -5.845
  168   2HB   ASN  19          HB1       ASN  19   7.134  -7.289  -7.377
  169   1HD2  ASN  19          HD21      ASN  19   9.033  -7.023  -8.577
  170   2HD2  ASN  19          HD22      ASN  19  10.455  -7.959  -8.255
  171    H    VAL  20           HN       VAL  20   6.301  -6.555  -3.687
  172    HA   VAL  20           HA       VAL  20   4.187  -4.695  -4.467
  173    HB   VAL  20           HB       VAL  20   2.435  -6.408  -3.899
  174   1HG1  VAL  20          HG11      VAL  20   2.847  -5.793  -6.208
  175   2HG1  VAL  20          HG12      VAL  20   2.479  -7.514  -6.091
  176   3HG1  VAL  20          HG13      VAL  20   4.145  -6.984  -6.317
  177   1HG2  VAL  20          HG21      VAL  20   3.022  -8.778  -4.061
  178   2HG2  VAL  20          HG22      VAL  20   3.854  -7.999  -2.714
  179   3HG2  VAL  20          HG23      VAL  20   4.726  -8.347  -4.207
  180    H    VAL  21           HN       VAL  21   2.604  -4.354  -2.677
  181    HA   VAL  21           HA       VAL  21   3.403  -5.295  -0.054
  182    HB   VAL  21           HB       VAL  21   4.844  -3.280  -0.527
  183   1HG1  VAL  21          HG11      VAL  21   3.245  -1.936  -1.763
  184   2HG1  VAL  21          HG12      VAL  21   3.845  -1.061  -0.354
  185   3HG1  VAL  21          HG13      VAL  21   2.237  -1.786  -0.323
  186   1HG2  VAL  21          HG21      VAL  21   4.473  -2.243   1.677
  187   2HG2  VAL  21          HG22      VAL  21   4.476  -4.006   1.737
  188   3HG2  VAL  21          HG23      VAL  21   2.951  -3.124   1.808
  189    HA   PRO  22           HA       PRO  22  -0.995  -4.888   0.380
  190   1HB   PRO  22          HB2       PRO  22  -1.251  -5.540   2.974
  191   2HB   PRO  22          HB1       PRO  22  -0.809  -6.732   1.748
  192   1HG   PRO  22          HG2       PRO  22   0.919  -5.303   3.716
  193   2HG   PRO  22          HG1       PRO  22   0.990  -6.990   3.178
  194   1HD   PRO  22          HD2       PRO  22   2.625  -4.976   2.243
  195   2HD   PRO  22          HD1       PRO  22   2.264  -6.470   1.356
  196    H    VAL  23           HN       VAL  23  -2.504  -3.455   1.034
  197    HA   VAL  23           HA       VAL  23  -1.682  -1.252   2.806
  198    HB   VAL  23           HB       VAL  23  -2.860   0.351   1.356
  199   1HG1  VAL  23          HG11      VAL  23  -0.744  -1.223  -0.105
  200   2HG1  VAL  23          HG12      VAL  23  -0.456   0.062   1.069
  201   3HG1  VAL  23          HG13      VAL  23  -1.235   0.431  -0.470
  202   1HG2  VAL  23          HG21      VAL  23  -4.444  -1.204   0.329
  203   2HG2  VAL  23          HG22      VAL  23  -3.126  -1.955  -0.569
  204   3HG2  VAL  23          HG23      VAL  23  -3.568  -0.279  -0.890
  205    H    LYS  24           HN       LYS  24  -3.643   0.041   3.504
  206    HA   LYS  24           HA       LYS  24  -6.113  -1.512   3.552
  207   1HB   LYS  24          HB2       LYS  24  -6.359  -1.103   5.992
  208   2HB   LYS  24          HB1       LYS  24  -5.025  -2.179   5.602
  209   1HG   LYS  24          HG2       LYS  24  -3.416  -0.545   6.083
  210   2HG   LYS  24          HG1       LYS  24  -4.605   0.759   6.042
  211   1HD   LYS  24          HD2       LYS  24  -3.895   0.191   8.336
  212   2HD   LYS  24          HD1       LYS  24  -5.621  -0.059   8.081
  213   1HE   LYS  24          HE2       LYS  24  -5.205  -2.460   7.756
  214   2HE   LYS  24          HE1       LYS  24  -3.490  -2.192   8.062
  215   1HZ   LYS  24          HZ1       LYS  24  -5.658  -1.592  10.001
  216   2HZ   LYS  24          HZ2       LYS  24  -3.989  -1.488  10.286
  217   3HZ   LYS  24          HZ3       LYS  24  -4.713  -3.001  10.022
  218    H    SER  25           HN       SER  25  -7.881  -0.155   4.656
  219    HA   SER  25           HA       SER  25  -7.532   2.658   3.868
  220   1HB   SER  25          HB2       SER  25  -9.976   2.774   3.688
  221   2HB   SER  25          HB1       SER  25  -9.343   1.470   2.683
  222    HG   SER  25           HG       SER  25 -10.952   1.371   4.935
  223    H    ASN  26           HN       ASN  26  -7.900   4.282   5.314
  224    HA   ASN  26           HA       ASN  26  -7.648   3.652   8.067
  225   1HB   ASN  26          HB2       ASN  26  -7.773   6.054   8.452
  226   2HB   ASN  26          HB1       ASN  26  -6.720   5.715   7.085
  227   1HD2  ASN  26          HD21      ASN  26  -8.195   8.130   7.836
  228   2HD2  ASN  26          HD22      ASN  26  -9.142   8.536   6.453
  229    H    LYS  27           HN       LYS  27 -10.351   4.476   6.019
  230    HA   LYS  27           HA       LYS  27 -12.152   4.182   8.331
  231   1HB   LYS  27          HB2       LYS  27 -12.508   5.783   5.787
  232   2HB   LYS  27          HB1       LYS  27 -13.812   5.468   6.926
  233   1HG   LYS  27          HG2       LYS  27 -12.630   6.666   8.667
  234   2HG   LYS  27          HG1       LYS  27 -11.250   6.907   7.594
  235   1HD   LYS  27          HD2       LYS  27 -14.022   7.943   7.019
  236   2HD   LYS  27          HD1       LYS  27 -12.768   8.886   7.827
  237   1HE   LYS  27          HE2       LYS  27 -11.313   8.529   5.841
  238   2HE   LYS  27          HE1       LYS  27 -12.672   7.743   5.041
  239   1HZ   LYS  27          HZ1       LYS  27 -12.804  10.512   6.091
  240   2HZ   LYS  27          HZ2       LYS  27 -13.891   9.750   5.031
  241   3HZ   LYS  27          HZ3       LYS  27 -12.330  10.150   4.507
  242    HA   PRO  28           HA       PRO  28 -13.818   0.541   6.423
  243   1HB   PRO  28          HB2       PRO  28 -16.444   1.395   7.485
  244   2HB   PRO  28          HB1       PRO  28 -15.519  -0.071   7.822
  245   1HG   PRO  28          HG2       PRO  28 -15.750   1.870   9.646
  246   2HG   PRO  28          HG1       PRO  28 -14.248   0.945   9.465
  247   1HD   PRO  28          HD2       PRO  28 -14.905   3.700   8.487
  248   2HD   PRO  28          HD1       PRO  28 -13.404   3.091   9.218
  249    H    VAL  29           HN       VAL  29 -14.249   0.385   4.331
  250    HA   VAL  29           HA       VAL  29 -15.980   2.434   3.108
  251    HB   VAL  29           HB       VAL  29 -13.705   2.652   2.338
  252   1HG1  VAL  29          HG11      VAL  29 -13.851  -0.255   1.568
  253   2HG1  VAL  29          HG12      VAL  29 -12.871   0.448   2.857
  254   3HG1  VAL  29          HG13      VAL  29 -12.529   0.845   1.175
  255   1HG2  VAL  29          HG21      VAL  29 -15.370   3.081   0.656
  256   2HG2  VAL  29          HG22      VAL  29 -15.442   1.370   0.237
  257   3HG2  VAL  29          HG23      VAL  29 -13.980   2.296  -0.090
  258    H    GLU  30           HN       GLU  30 -17.423   1.805   1.474
  259    HA   GLU  30           HA       GLU  30 -18.874  -0.518   1.764
  260   1HB   GLU  30          HB2       GLU  30 -18.502   1.318  -0.593
  261   2HB   GLU  30          HB1       GLU  30 -19.595  -0.055  -0.658
  262   1HG   GLU  30          HG2       GLU  30 -19.796   2.061   1.458
  263   2HG   GLU  30          HG1       GLU  30 -20.603   2.194  -0.104
  264    H    ILE  31           HN       ILE  31 -18.638  -2.568   1.164
  265    HA   ILE  31           HA       ILE  31 -16.229  -3.588   0.166
  266    HB   ILE  31           HB       ILE  31 -17.447  -5.738  -0.096
  267   1HG1  ILE  31          HG12      ILE  31 -19.849  -4.125   0.798
  268   2HG1  ILE  31          HG11      ILE  31 -19.619  -4.784  -0.817
  269   1HG2  ILE  31          HG21      ILE  31 -16.482  -5.103   2.051
  270   2HG2  ILE  31          HG22      ILE  31 -17.972  -6.020   2.280
  271   3HG2  ILE  31          HG23      ILE  31 -17.974  -4.268   2.487
  272   1HD1  ILE  31          HD11      ILE  31 -21.138  -6.160   0.468
  273   2HD1  ILE  31          HD12      ILE  31 -19.919  -6.367   1.727
  274   3HD1  ILE  31          HD13      ILE  31 -19.654  -7.049   0.122
  275    H    SER  32           HN       SER  32 -18.919  -2.259  -1.466
  276    HA   SER  32           HA       SER  32 -18.772  -3.589  -3.928
  277   1HB   SER  32          HB2       SER  32 -19.586  -0.719  -3.438
  278   2HB   SER  32          HB1       SER  32 -20.061  -1.736  -4.799
  279    HG   SER  32           HG       SER  32 -21.102  -3.117  -3.255
  280    H    LYS  33           HN       LYS  33 -16.933  -0.887  -2.597
  281    HA   LYS  33           HA       LYS  33 -15.645  -0.482  -5.188
  282   1HB   LYS  33          HB2       LYS  33 -15.614   1.153  -2.662
  283   2HB   LYS  33          HB1       LYS  33 -14.564   1.494  -4.034
  284   1HG   LYS  33          HG2       LYS  33 -16.867   1.389  -5.335
  285   2HG   LYS  33          HG1       LYS  33 -17.489   1.841  -3.747
  286   1HD   LYS  33          HD2       LYS  33 -16.243   3.843  -3.720
  287   2HD   LYS  33          HD1       LYS  33 -15.224   3.318  -5.065
  288   1HE   LYS  33          HE2       LYS  33 -18.168   3.963  -5.193
  289   2HE   LYS  33          HE1       LYS  33 -16.854   4.960  -5.818
  290   1HZ   LYS  33          HZ1       LYS  33 -18.048   3.525  -7.490
  291   2HZ   LYS  33          HZ2       LYS  33 -17.328   2.183  -6.749
  292   3HZ   LYS  33          HZ3       LYS  33 -16.363   3.371  -7.472
  293    H    TRP  34           HN       TRP  34 -15.208  -2.593  -2.884
  294    HA   TRP  34           HA       TRP  34 -12.457  -2.511  -2.291
  295   1HB   TRP  34          HB2       TRP  34 -14.269  -4.097  -1.371
  296   2HB   TRP  34          HB1       TRP  34 -14.026  -5.036  -2.837
  297    HD1  TRP  34           HD1      TRP  34 -12.525  -4.341   0.547
  298    HE1  TRP  34           HE1      TRP  34 -10.500  -5.882   0.930
  299    HE3  TRP  34           HE3      TRP  34 -12.059  -6.234  -4.179
  300    HZ2  TRP  34           HZ2      TRP  34  -8.917  -7.668  -0.583
  301    HZ3  TRP  34           HZ3      TRP  34 -10.263  -7.853  -4.627
  302    HH2  TRP  34           HH2      TRP  34  -8.723  -8.555  -2.865
  303    H    ILE  35           HN       ILE  35 -14.323  -3.708  -5.002
  304    HA   ILE  35           HA       ILE  35 -12.144  -4.771  -6.488
  305    HB   ILE  35           HB       ILE  35 -14.820  -3.825  -7.533
  306   1HG1  ILE  35          HG12      ILE  35 -14.012  -6.576  -6.563
  307   2HG1  ILE  35          HG11      ILE  35 -15.033  -5.456  -5.670
  308   1HG2  ILE  35          HG21      ILE  35 -13.155  -4.195  -9.277
  309   2HG2  ILE  35          HG22      ILE  35 -14.416  -5.427  -9.338
  310   3HG2  ILE  35          HG23      ILE  35 -12.841  -5.812  -8.646
  311   1HD1  ILE  35          HD11      ILE  35 -16.694  -5.568  -7.467
  312   2HD1  ILE  35          HD12      ILE  35 -16.363  -7.147  -6.758
  313   3HD1  ILE  35          HD13      ILE  35 -15.673  -6.723  -8.324
  314    H    ASP  36           HN       ASP  36 -13.841  -1.670  -6.459
  315    HA   ASP  36           HA       ASP  36 -12.675  -0.479  -8.692
  316   1HB   ASP  36          HB2       ASP  36 -13.821   0.632  -6.151
  317   2HB   ASP  36          HB1       ASP  36 -13.019   1.706  -7.289
  318    H    PHE  37           HN       PHE  37 -11.639  -0.250  -5.290
  319    HA   PHE  37           HA       PHE  37  -9.441   1.417  -5.901
  320   1HB   PHE  37          HB2       PHE  37 -10.030  -0.228  -3.442
  321   2HB   PHE  37          HB1       PHE  37  -8.705   0.925  -3.566
  322    HD1  PHE  37           HD2      PHE  37 -10.560   2.812  -5.363
  323    HD2  PHE  37           HD1      PHE  37 -10.897   1.018  -1.519
  324    HE1  PHE  37           HE2      PHE  37 -12.071   4.621  -4.660
  325    HE2  PHE  37           HE1      PHE  37 -12.406   2.827  -0.807
  326    HZ   PHE  37           HZ       PHE  37 -12.998   4.630  -2.378
  327    H    SER  38           HN       SER  38  -9.705  -2.100  -5.452
  328    HA   SER  38           HA       SER  38  -6.900  -2.548  -5.619
  329   1HB   SER  38          HB2       SER  38  -7.575  -4.931  -6.107
  330   2HB   SER  38          HB1       SER  38  -8.237  -4.264  -4.616
  331    HG   SER  38           HG       SER  38 -10.202  -4.270  -5.452
  332    H    ASN  39           HN       ASN  39  -9.470  -2.259  -7.956
  333    HA   ASN  39           HA       ASN  39  -8.107  -3.089 -10.272
  334   1HB   ASN  39          HB2       ASN  39 -10.535  -2.693 -10.164
  335   2HB   ASN  39          HB1       ASN  39 -10.252  -0.974  -9.942
  336   1HD2  ASN  39          HD21      ASN  39 -11.409  -0.404 -11.733
  337   2HD2  ASN  39          HD22      ASN  39 -10.844  -0.701 -13.343
  338    H    VAL  40           HN       VAL  40  -8.102  -0.093  -8.467
  339    HA   VAL  40           HA       VAL  40  -6.537   1.353 -10.405
  340    HB   VAL  40           HB       VAL  40  -7.115   2.014  -7.509
  341   1HG1  VAL  40          HG11      VAL  40  -5.147   3.191  -8.303
  342   2HG1  VAL  40          HG12      VAL  40  -6.499   4.310  -8.123
  343   3HG1  VAL  40          HG13      VAL  40  -6.029   3.744  -9.726
  344   1HG2  VAL  40          HG21      VAL  40  -9.156   1.880  -8.813
  345   2HG2  VAL  40          HG22      VAL  40  -8.467   2.948 -10.036
  346   3HG2  VAL  40          HG23      VAL  40  -8.796   3.559  -8.415
  347    H    LEU  41           HN       LEU  41  -5.929  -0.220  -7.282
  348    HA   LEU  41           HA       LEU  41  -3.250   0.579  -7.001
  349   1HB   LEU  41          HB2       LEU  41  -4.648  -1.849  -5.896
  350   2HB   LEU  41          HB1       LEU  41  -3.078  -1.275  -5.375
  351    HG   LEU  41           HG       LEU  41  -5.686   0.215  -5.078
  352   1HD1  LEU  41          HD11      LEU  41  -5.534  -1.683  -3.585
  353   2HD1  LEU  41          HD12      LEU  41  -5.332  -0.183  -2.680
  354   3HD1  LEU  41          HD13      LEU  41  -3.927  -1.176  -3.069
  355   1HD2  LEU  41          HD21      LEU  41  -4.370   1.788  -3.724
  356   2HD2  LEU  41          HD22      LEU  41  -3.838   1.756  -5.405
  357   3HD2  LEU  41          HD23      LEU  41  -2.900   0.921  -4.167
  358    H    SER  42           HN       SER  42  -4.659  -1.966  -8.889
  359    HA   SER  42           HA       SER  42  -2.182  -3.404  -9.194
  360   1HB   SER  42          HB2       SER  42  -3.550  -4.631 -10.990
  361   2HB   SER  42          HB1       SER  42  -4.100  -4.769  -9.320
  362    HG   SER  42           HG       SER  42  -5.802  -3.547  -9.746
  363    H    ARG  43           HN       ARG  43  -3.686  -0.715 -10.679
  364    HA   ARG  43           HA       ARG  43  -1.942  -0.887 -13.032
  365   1HB   ARG  43          HB2       ARG  43  -4.396  -0.319 -13.265
  366   2HB   ARG  43          HB1       ARG  43  -4.063   1.182 -12.418
  367   1HG   ARG  43          HG2       ARG  43  -4.137   1.597 -14.782
  368   2HG   ARG  43          HG1       ARG  43  -2.478   1.804 -14.212
  369   1HD   ARG  43          HD2       ARG  43  -1.906  -0.417 -15.022
  370   2HD   ARG  43          HD1       ARG  43  -3.572  -0.676 -15.537
  371    HE   ARG  43           HE       ARG  43  -2.183   1.612 -16.700
  372   1HH1  ARG  43          HH11      ARG  43  -3.320  -1.684 -17.044
  373   2HH1  ARG  43          HH12      ARG  43  -3.123  -1.709 -18.773
  374   1HH2  ARG  43          HH21      ARG  43  -1.935   1.588 -18.983
  375   2HH2  ARG  43          HH22      ARG  43  -2.331   0.148 -19.875
  376    H    LEU  44           HN       LEU  44  -2.065   0.369  -9.942
  377    HA   LEU  44           HA       LEU  44  -0.458   2.731 -10.468
  378   1HB   LEU  44          HB2       LEU  44  -2.241   2.714  -8.729
  379   2HB   LEU  44          HB1       LEU  44  -1.328   1.509  -7.844
  380    HG   LEU  44           HG       LEU  44   0.553   3.216  -7.722
  381   1HD1  LEU  44          HD11      LEU  44  -0.219   4.693  -9.497
  382   2HD1  LEU  44          HD12      LEU  44  -0.092   5.558  -7.965
  383   3HD1  LEU  44          HD13      LEU  44  -1.673   5.062  -8.570
  384   1HD2  LEU  44          HD21      LEU  44  -0.868   2.666  -5.821
  385   2HD2  LEU  44          HD22      LEU  44  -2.061   3.846  -6.361
  386   3HD2  LEU  44          HD23      LEU  44  -0.466   4.382  -5.834
  387    H    TYR  45           HN       TYR  45   1.696   2.920 -10.009
  388    HA   TYR  45           HA       TYR  45   3.056   0.586  -8.861
  389   1HB   TYR  45          HB2       TYR  45   3.773   2.101 -11.364
  390   2HB   TYR  45          HB1       TYR  45   4.990   1.216 -10.456
  391    HD1  TYR  45           HD1      TYR  45   1.747   0.795 -12.240
  392    HD2  TYR  45           HD2      TYR  45   5.275  -1.082 -10.774
  393    HE1  TYR  45           HE1      TYR  45   1.137  -1.271 -13.428
  394    HE2  TYR  45           HE2      TYR  45   4.673  -3.149 -11.957
  395    HH   TYR  45           HH       TYR  45   2.806  -4.253 -12.899
  396    H    VAL  46           HN       VAL  46   3.569   1.377  -6.910
  397    HA   VAL  46           HA       VAL  46   4.994   3.953  -6.808
  398    HB   VAL  46           HB       VAL  46   4.494   3.943  -4.361
  399   1HG1  VAL  46          HG11      VAL  46   3.127   5.244  -5.883
  400   2HG1  VAL  46          HG12      VAL  46   2.128   4.568  -4.595
  401   3HG1  VAL  46          HG13      VAL  46   2.107   3.841  -6.202
  402   1HG2  VAL  46          HG21      VAL  46   4.151   1.563  -4.025
  403   2HG2  VAL  46          HG22      VAL  46   2.735   1.596  -5.074
  404   3HG2  VAL  46          HG23      VAL  46   2.712   2.456  -3.534
  405    H    GLY  47           HN       GLY  47   6.999   4.074  -5.822
  406   1HA   GLY  47          HA2       GLY  47   8.280   1.434  -5.445
  407   2HA   GLY  47          HA1       GLY  47   9.102   2.866  -6.046
  408    H    VAL  48           HN       VAL  48   7.144   3.936  -3.692
  409    HA   VAL  48           HA       VAL  48   9.251   4.723  -2.027
  410    HB   VAL  48           HB       VAL  48   7.458   5.357  -0.372
  411   1HG1  VAL  48          HG11      VAL  48   8.251   6.924  -2.042
  412   2HG1  VAL  48          HG12      VAL  48   6.513   7.114  -1.812
  413   3HG1  VAL  48          HG13      VAL  48   7.126   6.263  -3.230
  414   1HG2  VAL  48          HG21      VAL  48   5.828   3.623  -0.899
  415   2HG2  VAL  48          HG22      VAL  48   5.634   4.278  -2.524
  416   3HG2  VAL  48          HG23      VAL  48   5.123   5.222  -1.127
  417    HA   PRO  49           HA       PRO  49   9.421   1.204   0.754
  418   1HB   PRO  49          HB2       PRO  49  11.955   1.758   1.601
  419   2HB   PRO  49          HB1       PRO  49  11.584   0.894   0.109
  420   1HG   PRO  49          HG2       PRO  49  12.737   3.517   0.430
  421   2HG   PRO  49          HG1       PRO  49  12.481   2.599  -1.061
  422   1HD   PRO  49          HD2       PRO  49  10.859   4.754   0.109
  423   2HD   PRO  49          HD1       PRO  49  10.896   4.160  -1.561
  424    H    THR  50           HN       THR  50   7.786   2.731   1.890
  425    HA   THR  50           HA       THR  50   8.888   4.320   4.044
  426    HB   THR  50           HB       THR  50   6.106   4.148   4.301
  427    HG1  THR  50           HG1      THR  50   5.311   4.149   2.285
  428   1HG2  THR  50          HG21      THR  50   7.802   6.212   2.884
  429   2HG2  THR  50          HG22      THR  50   7.462   6.164   4.612
  430   3HG2  THR  50          HG23      THR  50   6.156   6.462   3.467
  431    H    LYS  51           HN       LYS  51   7.453   4.134   6.151
  432    HA   LYS  51           HA       LYS  51   7.573   1.346   7.061
  433   1HB   LYS  51          HB2       LYS  51   7.968   3.971   8.336
  434   2HB   LYS  51          HB1       LYS  51   7.018   2.844   9.290
  435   1HG   LYS  51          HG2       LYS  51   9.307   2.656   9.944
  436   2HG   LYS  51          HG1       LYS  51   8.846   1.190   9.082
  437   1HD   LYS  51          HD2       LYS  51   9.929   2.059   7.051
  438   2HD   LYS  51          HD1       LYS  51  10.411   3.507   7.940
  439   1HE   LYS  51          HE2       LYS  51  11.649   2.046   9.530
  440   2HE   LYS  51          HE1       LYS  51  11.259   0.668   8.505
  441   1HZ   LYS  51          HZ1       LYS  51  12.453   1.769   6.679
  442   2HZ   LYS  51          HZ2       LYS  51  13.456   1.460   8.010
  443   3HZ   LYS  51          HZ3       LYS  51  12.888   3.032   7.726
  444    H    SER  52           HN       SER  52   5.784   1.326   9.109
  445    HA   SER  52           HA       SER  52   3.355   0.933   7.714
  446   1HB   SER  52          HB2       SER  52   4.049  -0.372   9.719
  447   2HB   SER  52          HB1       SER  52   3.765   1.061  10.710
  448    HG   SER  52           HG       SER  52   1.824   0.240  10.844
  449    H    GLY  53           HN       GLY  53   1.421   2.056   7.764
  450   1HA   GLY  53          HA2       GLY  53  -0.071   3.747   8.284
  451   2HA   GLY  53          HA1       GLY  53   1.108   4.406   9.409
  452    H    ASN  54           HN       ASN  54   1.808   3.697   6.050
  453    HA   ASN  54           HA       ASN  54   2.273   6.576   5.656
  454   1HB   ASN  54          HB2       ASN  54   3.794   6.025   3.890
  455   2HB   ASN  54          HB1       ASN  54   4.184   4.994   5.259
  456   1HD2  ASN  54          HD21      ASN  54   3.889   2.794   5.101
  457   2HD2  ASN  54          HD22      ASN  54   3.541   2.005   3.600
  458    H    VAL  55           HN       VAL  55   1.177   7.730   4.163
  459    HA   VAL  55           HA       VAL  55  -1.182   6.515   3.052
  460    HB   VAL  55           HB       VAL  55  -0.157   9.338   2.686
  461   1HG1  VAL  55          HG11      VAL  55  -1.757   8.663   0.971
  462   2HG1  VAL  55          HG12      VAL  55  -2.458   9.862   2.058
  463   3HG1  VAL  55          HG13      VAL  55  -2.895   8.162   2.221
  464   1HG2  VAL  55          HG21      VAL  55  -0.547   8.846   5.042
  465   2HG2  VAL  55          HG22      VAL  55  -2.165   8.251   4.660
  466   3HG2  VAL  55          HG23      VAL  55  -1.772   9.954   4.422
  467    H    VAL  56           HN       VAL  56  -1.135   5.421   1.224
  468    HA   VAL  56           HA       VAL  56   0.909   5.920  -0.784
  469    HB   VAL  56           HB       VAL  56  -1.360   3.915  -0.835
  470   1HG1  VAL  56          HG11      VAL  56   1.164   4.097  -2.474
  471   2HG1  VAL  56          HG12      VAL  56  -0.476   4.401  -3.046
  472   3HG1  VAL  56          HG13      VAL  56  -0.006   2.779  -2.536
  473   1HG2  VAL  56          HG21      VAL  56   0.338   2.264  -0.175
  474   2HG2  VAL  56          HG22      VAL  56   0.090   3.493   1.065
  475   3HG2  VAL  56          HG23      VAL  56   1.512   3.565   0.023
  476    H    CYS  57           HN       CYS  57  -2.644   5.862  -0.613
  477    HA   CYS  57           HA       CYS  57  -2.690   7.826  -2.806
  478   1HB   CYS  57          HB2       CYS  57  -4.791   5.694  -2.389
  479   2HB   CYS  57          HB1       CYS  57  -4.621   6.780  -3.763
  480    HG   CYS  57           HG       CYS  57  -3.916   3.944  -4.169
  481    H    LYS  58           HN       LYS  58  -3.337   9.696  -1.920
  482    HA   LYS  58           HA       LYS  58  -5.215   9.610   0.336
  483   1HB   LYS  58          HB2       LYS  58  -3.111  10.879   0.646
  484   2HB   LYS  58          HB1       LYS  58  -3.556  11.920  -0.698
  485   1HG   LYS  58          HG2       LYS  58  -5.505  12.704   0.531
  486   2HG   LYS  58          HG1       LYS  58  -5.093  11.641   1.879
  487   1HD   LYS  58          HD2       LYS  58  -3.005  12.840   2.211
  488   2HD   LYS  58          HD1       LYS  58  -3.353  13.869   0.820
  489   1HE   LYS  58          HE2       LYS  58  -3.879  15.046   2.870
  490   2HE   LYS  58          HE1       LYS  58  -5.358  14.711   1.969
  491   1HZ   LYS  58          HZ1       LYS  58  -5.785  12.838   3.443
  492   2HZ   LYS  58          HZ2       LYS  58  -5.641  14.277   4.324
  493   3HZ   LYS  58          HZ3       LYS  58  -4.360  13.165   4.302
  494    H    ASN  59           HN       ASN  59  -7.267  10.069   0.034
  495    HA   ASN  59           HA       ASN  59  -9.223  10.781  -0.872
  496   1HB   ASN  59          HB2       ASN  59  -7.990  13.027  -0.703
  497   2HB   ASN  59          HB1       ASN  59  -7.651  12.845  -2.420
  498   1HD2  ASN  59          HD21      ASN  59 -10.071  13.425  -0.018
  499   2HD2  ASN  59          HD22      ASN  59 -11.315  13.949  -1.108
  500    H    ILE  60           HN       ILE  60  -8.674   8.591  -1.950
  501    HA   ILE  60           HA       ILE  60  -7.842   8.731  -4.702
  502    HB   ILE  60           HB       ILE  60  -7.198   6.793  -3.395
  503   1HG1  ILE  60          HG12      ILE  60  -9.181   6.002  -5.539
  504   2HG1  ILE  60          HG11      ILE  60  -7.537   6.554  -5.841
  505   1HG2  ILE  60          HG21      ILE  60  -8.818   5.118  -2.663
  506   2HG2  ILE  60          HG22      ILE  60 -10.135   6.164  -3.197
  507   3HG2  ILE  60          HG23      ILE  60  -9.083   6.674  -1.875
  508   1HD1  ILE  60          HD11      ILE  60  -6.674   4.617  -4.619
  509   2HD1  ILE  60          HD12      ILE  60  -7.676   4.146  -5.991
  510   3HD1  ILE  60          HD13      ILE  60  -8.325   4.060  -4.352
  511    H    MET  61           HN       MET  61  -9.056   9.129  -6.373
  512    HA   MET  61           HA       MET  61 -10.829   9.344  -7.775
  513   1HB   MET  61          HB2       MET  61 -12.154   7.335  -5.940
  514   2HB   MET  61          HB1       MET  61 -12.768   7.831  -7.511
  515   1HG   MET  61          HG2       MET  61 -10.806   6.902  -8.597
  516   2HG   MET  61          HG1       MET  61 -10.133   6.455  -7.031
  517   1HE   MET  61          HE1       MET  61 -12.965   5.805  -9.652
  518   2HE   MET  61          HE2       MET  61 -13.888   6.206  -8.203
  519   3HE   MET  61          HE3       MET  61 -13.929   4.564  -8.850
  520    H    ASN  62           HN       ASN  62 -10.497  10.933  -5.289
  521    HA   ASN  62           HA       ASN  62 -11.484  12.594  -4.128
  522   1HB   ASN  62          HB2       ASN  62 -13.384  12.458  -6.461
  523   2HB   ASN  62          HB1       ASN  62 -13.550  13.652  -5.177
  524   1HD2  ASN  62          HD21      ASN  62 -10.666  13.905  -4.790
  525   2HD2  ASN  62          HD22      ASN  62 -10.084  14.812  -6.148
  526    H    THR  63           HN       THR  63 -11.807  11.051  -2.469
  527    HA   THR  63           HA       THR  63 -14.647  10.482  -1.958
  528    HB   THR  63           HB       THR  63 -13.743   8.454  -0.666
  529    HG1  THR  63           HG1      THR  63 -11.621   8.297  -2.432
  530   1HG2  THR  63          HG21      THR  63 -15.001   8.265  -2.765
  531   2HG2  THR  63          HG22      THR  63 -13.722   7.053  -2.671
  532   3HG2  THR  63          HG23      THR  63 -13.507   8.486  -3.677
  533    H    GLY  64           HN       GLY  64 -11.444  11.011  -0.573
  534   1HA   GLY  64          HA2       GLY  64 -11.147  12.487   1.316
  535   2HA   GLY  64          HA1       GLY  64 -12.731  11.979   1.893
  536    H    VAL  65           HN       VAL  65 -10.816   9.508   0.569
  537    HA   VAL  65           HA       VAL  65 -10.214   8.515   3.272
  538    HB   VAL  65           HB       VAL  65 -11.805   7.220   1.718
  539   1HG1  VAL  65          HG11      VAL  65  -9.217   6.456   0.408
  540   2HG1  VAL  65          HG12      VAL  65 -10.539   7.362  -0.325
  541   3HG1  VAL  65          HG13      VAL  65 -10.776   5.678   0.143
  542   1HG2  VAL  65          HG21      VAL  65  -9.433   5.832   2.944
  543   2HG2  VAL  65          HG22      VAL  65 -10.942   5.044   2.478
  544   3HG2  VAL  65          HG23      VAL  65 -10.940   6.263   3.754
  545    H    ASP  66           HN       ASP  66  -8.148   8.047   3.800
  546    HA   ASP  66           HA       ASP  66  -6.144   8.294   1.677
  547   1HB   ASP  66          HB2       ASP  66  -4.535   8.548   3.707
  548   2HB   ASP  66          HB1       ASP  66  -5.528   9.913   3.221
  549    H    ILE  67           HN       ILE  67  -5.618   6.438   0.884
  550    HA   ILE  67           HA       ILE  67  -5.863   3.978   2.351
  551    HB   ILE  67           HB       ILE  67  -4.641   4.489  -0.371
  552   1HG1  ILE  67          HG12      ILE  67  -7.014   5.111  -0.285
  553   2HG1  ILE  67          HG11      ILE  67  -6.771   3.676  -1.274
  554   1HG2  ILE  67          HG21      ILE  67  -4.953   2.085  -0.740
  555   2HG2  ILE  67          HG22      ILE  67  -5.501   1.905   0.926
  556   3HG2  ILE  67          HG23      ILE  67  -3.844   2.409   0.592
  557   1HD1  ILE  67          HD11      ILE  67  -7.773   3.709   1.564
  558   2HD1  ILE  67          HD12      ILE  67  -7.552   2.275   0.562
  559   3HD1  ILE  67          HD13      ILE  67  -8.756   3.484   0.118
  560    H    ILE  68           HN       ILE  68  -4.389   3.324   3.751
  561    HA   ILE  68           HA       ILE  68  -1.644   4.331   3.437
  562    HB   ILE  68           HB       ILE  68  -1.433   3.905   5.905
  563   1HG1  ILE  68          HG12      ILE  68  -4.449   3.703   5.729
  564   2HG1  ILE  68          HG11      ILE  68  -3.356   2.386   6.145
  565   1HG2  ILE  68          HG21      ILE  68  -1.692   6.135   5.013
  566   2HG2  ILE  68          HG22      ILE  68  -2.579   5.979   6.529
  567   3HG2  ILE  68          HG23      ILE  68  -3.446   5.951   4.992
  568   1HD1  ILE  68          HD11      ILE  68  -3.753   4.913   7.729
  569   2HD1  ILE  68          HD12      ILE  68  -2.669   3.585   8.149
  570   3HD1  ILE  68          HD13      ILE  68  -4.414   3.324   8.118
  571    H    CYS  69           HN       CYS  69   0.052   2.979   3.527
  572    HA   CYS  69           HA       CYS  69  -0.490   0.120   3.513
  573   1HB   CYS  69          HB2       CYS  69   1.034   1.021   1.818
  574   2HB   CYS  69          HB1       CYS  69   2.081   1.661   3.082
  575    HG   CYS  69           HG       CYS  69   1.503  -1.647   2.423
  576    H    THR  70           HN       THR  70   0.314  -1.305   5.060
  577    HA   THR  70           HA       THR  70   1.184   0.025   7.541
  578    HB   THR  70           HB       THR  70  -1.135  -0.844   7.653
  579    HG1  THR  70           HG1      THR  70   0.804  -1.262   9.391
  580   1HG2  THR  70          HG21      THR  70  -0.931  -2.717   6.106
  581   2HG2  THR  70          HG22      THR  70  -1.537  -3.265   7.669
  582   3HG2  THR  70          HG23      THR  70   0.147  -3.547   7.230
  583    H    LYS  71           HN       LYS  71   2.208  -1.960   5.131
  584    HA   LYS  71           HA       LYS  71   3.917  -3.545   6.895
  585   1HB   LYS  71          HB2       LYS  71   2.730  -4.690   5.007
  586   2HB   LYS  71          HB1       LYS  71   3.673  -3.719   3.885
  587   1HG   LYS  71          HG2       LYS  71   5.700  -4.749   4.565
  588   2HG   LYS  71          HG1       LYS  71   4.913  -5.536   5.934
  589   1HD   LYS  71          HD2       LYS  71   3.523  -6.817   4.321
  590   2HD   LYS  71          HD1       LYS  71   4.459  -6.101   3.007
  591   1HE   LYS  71          HE2       LYS  71   6.482  -7.120   3.833
  592   2HE   LYS  71          HE1       LYS  71   5.636  -7.729   5.255
  593   1HZ   LYS  71          HZ1       LYS  71   5.158  -8.545   2.438
  594   2HZ   LYS  71          HZ2       LYS  71   4.253  -9.082   3.766
  595   3HZ   LYS  71          HZ3       LYS  71   5.892  -9.475   3.648
  596    H    ASN  72           HN       ASN  72   6.182  -3.447   6.706
  597    HA   ASN  72           HA       ASN  72   7.061  -0.767   5.952
  598   1HB   ASN  72          HB2       ASN  72   8.420  -2.916   7.603
  599   2HB   ASN  72          HB1       ASN  72   9.116  -1.338   7.256
  600   1HD2  ASN  72          HD21      ASN  72   5.706  -1.817   7.907
  601   2HD2  ASN  72          HD22      ASN  72   5.689  -1.041   9.452
  602    H    LEU  73           HN       LEU  73   8.204  -0.401   4.164
  603    HA   LEU  73           HA       LEU  73   8.784  -2.659   2.460
  604   1HB   LEU  73          HB2       LEU  73   8.975   0.310   2.067
  605   2HB   LEU  73          HB1       LEU  73   9.576  -0.820   0.873
  606    HG   LEU  73           HG       LEU  73   7.426  -0.134   0.154
  607   1HD1  LEU  73          HD11      LEU  73   6.179  -2.225   0.127
  608   2HD1  LEU  73          HD12      LEU  73   7.182  -2.844   1.440
  609   3HD1  LEU  73          HD13      LEU  73   7.902  -2.498  -0.133
  610   1HD2  LEU  73          HD21      LEU  73   6.399  -0.868   2.892
  611   2HD2  LEU  73          HD22      LEU  73   5.408  -0.347   1.528
  612   3HD2  LEU  73          HD23      LEU  73   6.575   0.764   2.248
  613    HA   PRO  74           HA       PRO  74  12.995  -3.022   3.795
  614   1HB   PRO  74          HB2       PRO  74  13.415  -4.691   1.427
  615   2HB   PRO  74          HB1       PRO  74  13.494  -5.128   3.136
  616   1HG   PRO  74          HG2       PRO  74  11.503  -5.966   1.512
  617   2HG   PRO  74          HG1       PRO  74  11.260  -5.654   3.241
  618   1HD   PRO  74          HD2       PRO  74  10.543  -3.955   0.883
  619   2HD   PRO  74          HD1       PRO  74   9.640  -4.257   2.383
  620    H    LYS  75           HN       LYS  75  13.775  -0.960   3.371
  621    HA   LYS  75           HA       LYS  75  15.508  -0.915   0.997
  622   1HB   LYS  75          HB2       LYS  75  13.730   0.823   0.815
  623   2HB   LYS  75          HB1       LYS  75  14.284   1.507   2.336
  624   1HG   LYS  75          HG2       LYS  75  16.569   1.710   1.153
  625   2HG   LYS  75          HG1       LYS  75  15.637   1.503  -0.331
  626   1HD   LYS  75          HD2       LYS  75  14.186   3.407   0.428
  627   2HD   LYS  75          HD1       LYS  75  15.329   3.667   1.748
  628   1HE   LYS  75          HE2       LYS  75  17.128   3.906   0.019
  629   2HE   LYS  75          HE1       LYS  75  15.859   3.873  -1.207
  630   1HZ   LYS  75          HZ1       LYS  75  16.506   6.135  -0.621
  631   2HZ   LYS  75          HZ2       LYS  75  16.068   5.857   0.994
  632   3HZ   LYS  75          HZ3       LYS  75  14.881   5.840  -0.221
  633    H    ASP  76           HN       ASP  76  14.983   0.672   4.086
  634    HA   ASP  76           HA       ASP  76  17.729   1.131   4.628
  635   1HB   ASP  76          HB2       ASP  76  16.026   2.563   5.591
  636   2HB   ASP  76          HB1       ASP  76  15.290   1.194   6.416
  637    H    SER  77           HN       SER  77  18.991  -0.604   4.722
  638    HA   SER  77           HA       SER  77  18.131  -2.973   6.188
  639   1HB   SER  77          HB2       SER  77  20.591  -2.522   4.475
  640   2HB   SER  77          HB1       SER  77  20.058  -4.067   5.140
  641    HG   SER  77           HG       SER  77  18.435  -2.496   3.428
  642    H    LEU  78           HN       LEU  78  18.798  -3.367   8.187
  643    HA   LEU  78           HA       LEU  78  20.549  -1.445   9.449
  644   1HB   LEU  78          HB2       LEU  78  19.014  -3.775  10.590
  645   2HB   LEU  78          HB1       LEU  78  19.893  -2.591  11.536
  646    HG   LEU  78           HG       LEU  78  17.519  -1.984   9.770
  647   1HD1  LEU  78          HD11      LEU  78  16.888  -3.291  11.729
  648   2HD1  LEU  78          HD12      LEU  78  16.310  -1.629  11.860
  649   3HD1  LEU  78          HD13      LEU  78  17.729  -2.144  12.774
  650   1HD2  LEU  78          HD21      LEU  78  19.050  -0.239  11.696
  651   2HD2  LEU  78          HD22      LEU  78  17.582   0.219  10.830
  652   3HD2  LEU  78          HD23      LEU  78  19.067  -0.110   9.938
  653    H    GLU  79           HN       GLU  79  21.007  -4.384   7.924
  654    HA   GLU  79           HA       GLU  79  23.172  -5.265   9.632
  655   1HB   GLU  79          HB2       GLU  79  21.847  -6.986   8.557
  656   2HB   GLU  79          HB1       GLU  79  22.202  -6.316   6.969
  657   1HG   GLU  79          HG2       GLU  79  24.572  -6.839   7.286
  658   2HG   GLU  79          HG1       GLU  79  24.205  -7.529   8.864
  659    H    HIS  80           HN       HIS  80  24.873  -3.958   9.603
  660    HA   HIS  80           HA       HIS  80  25.921  -2.817   7.190
  661   1HB   HIS  80          HB2       HIS  80  27.872  -2.170   8.642
  662   2HB   HIS  80          HB1       HIS  80  26.317  -1.580   9.209
  663    HD1  HIS  80           HD1      HIS  80  29.252  -3.488  10.260
  664    HD2  HIS  80           HD2      HIS  80  25.303  -3.076  11.490
  665    HE1  HIS  80           HE1      HIS  80  29.165  -4.435  12.589
  666    HE2  HIS  80           HE2      HIS  80  26.713  -4.414  13.191
  667    H    HIS  81           HN       HIS  81  26.436  -4.353   5.742
  668    HA   HIS  81           HA       HIS  81  27.727  -6.790   6.530
  669   1HB   HIS  81          HB2       HIS  81  27.810  -7.182   3.997
  670   2HB   HIS  81          HB1       HIS  81  26.235  -7.111   4.768
  671    HD1  HIS  81           HD1      HIS  81  28.322  -4.158   3.543
  672    HD2  HIS  81           HD2      HIS  81  24.713  -6.084   2.790
  673    HE1  HIS  81           HE1      HIS  81  27.140  -2.745   1.830
  674    HE2  HIS  81           HE2      HIS  81  25.052  -4.035   1.253
  675    H    HIS  82           HN       HIS  82  29.776  -7.417   6.303
  676    HA   HIS  82           HA       HIS  82  31.734  -5.319   6.030
  677   1HB   HIS  82          HB2       HIS  82  31.923  -8.230   6.780
  678   2HB   HIS  82          HB1       HIS  82  33.349  -7.222   6.562
  679    HD1  HIS  82           HD1      HIS  82  30.406  -7.726   8.830
  680    HD2  HIS  82           HD2      HIS  82  33.867  -5.429   8.620
  681    HE1  HIS  82           HE1      HIS  82  30.672  -6.685  11.106
  682    HE2  HIS  82           HE2      HIS  82  32.884  -5.487  11.008
  683    H    HIS  83           HN       HIS  83  32.388  -4.725   4.141
  684    HA   HIS  83           HA       HIS  83  33.617  -6.587   2.323
  685   1HB   HIS  83          HB2       HIS  83  31.283  -6.699   1.544
  686   2HB   HIS  83          HB1       HIS  83  31.221  -4.946   1.437
  687    HD1  HIS  83           HD1      HIS  83  33.119  -7.843  -0.145
  688    HD2  HIS  83           HD2      HIS  83  31.855  -3.972  -1.014
  689    HE1  HIS  83           HE1      HIS  83  33.686  -7.466  -2.572
  690    HE2  HIS  83           HE2      HIS  83  33.036  -5.073  -3.035
  691    H    HIS  84           HN       HIS  84  32.334  -3.351   2.737
  692    HA   HIS  84           HA       HIS  84  34.778  -2.059   3.051
  693   1HB   HIS  84          HB2       HIS  84  34.953  -2.587   0.566
  694   2HB   HIS  84          HB1       HIS  84  33.569  -1.527   0.325
  695    HD1  HIS  84           HD1      HIS  84  34.161   0.804  -0.234
  696    HD2  HIS  84           HD2      HIS  84  37.163  -1.094   1.936
  697    HE1  HIS  84           HE1      HIS  84  36.045   2.472  -0.068
  698    HE2  HIS  84           HE2      HIS  84  37.913   1.235   1.099
  699    H    HIS  85           HN       HIS  85  31.539  -1.866   1.724
  700    HA   HIS  85           HA       HIS  85  30.742  -0.117   3.879
  701   1HB   HIS  85          HB2       HIS  85  31.371   1.548   2.239
  702   2HB   HIS  85          HB1       HIS  85  30.478   0.705   0.977
  703    HD1  HIS  85           HD1      HIS  85  29.821   2.565   4.229
  704    HD2  HIS  85           HD2      HIS  85  27.904   1.528   0.684
  705    HE1  HIS  85           HE1      HIS  85  27.612   3.772   4.270
  706    HE2  HIS  85           HE2      HIS  85  26.575   3.297   2.018
  Start of MODEL   14
    1   1H    MET   1          HT1       MET   1 -26.361  -4.591   6.848
    2   2H    MET   1          HT2       MET   1 -25.372  -5.639   7.742
    3   3H    MET   1          HT3       MET   1 -26.157  -6.200   6.348
    4    HA   MET   1           HA       MET   1 -23.860  -5.831   5.866
    5   1HB   MET   1          HB2       MET   1 -25.416  -5.395   4.062
    6   2HB   MET   1          HB1       MET   1 -25.716  -3.771   4.661
    7   1HG   MET   1          HG2       MET   1 -23.361  -3.204   4.201
    8   2HG   MET   1          HG1       MET   1 -23.134  -4.813   3.519
    9   1HE   MET   1          HE1       MET   1 -22.520  -2.003   2.036
   10   2HE   MET   1          HE2       MET   1 -23.114  -2.357   0.414
   11   3HE   MET   1          HE3       MET   1 -22.190  -3.572   1.298
   12    H    HIS   2           HN       HIS   2 -22.066  -4.920   6.562
   13    HA   HIS   2           HA       HIS   2 -22.101  -2.070   7.303
   14   1HB   HIS   2          HB2       HIS   2 -21.979  -3.668   9.299
   15   2HB   HIS   2          HB1       HIS   2 -20.406  -4.160   8.687
   16    HD1  HIS   2           HD1      HIS   2 -22.184  -1.258  10.269
   17    HD2  HIS   2           HD2      HIS   2 -18.328  -2.389   9.197
   18    HE1  HIS   2           HE1      HIS   2 -20.658   0.430  11.341
   19    HE2  HIS   2           HE2      HIS   2 -18.329  -0.388  10.841
   20    H    LYS   3           HN       LYS   3 -20.040  -0.997   6.916
   21    HA   LYS   3           HA       LYS   3 -18.854  -1.915   4.484
   22   1HB   LYS   3          HB2       LYS   3 -18.073   0.399   6.266
   23   2HB   LYS   3          HB1       LYS   3 -17.483   0.127   4.631
   24   1HG   LYS   3          HG2       LYS   3 -19.852   0.290   3.843
   25   2HG   LYS   3          HG1       LYS   3 -20.293   0.788   5.479
   26   1HD   LYS   3          HD2       LYS   3 -18.641   2.646   5.276
   27   2HD   LYS   3          HD1       LYS   3 -18.415   2.194   3.587
   28   1HE   LYS   3          HE2       LYS   3 -20.863   2.533   3.247
   29   2HE   LYS   3          HE1       LYS   3 -20.954   3.158   4.893
   30   1HZ   LYS   3          HZ1       LYS   3 -20.708   5.068   3.676
   31   2HZ   LYS   3          HZ2       LYS   3 -19.703   4.351   2.513
   32   3HZ   LYS   3          HZ3       LYS   3 -19.082   4.737   4.048
   33    H    ASP   4           HN       ASP   4 -16.551  -2.212   4.135
   34    HA   ASP   4           HA       ASP   4 -15.332  -3.639   6.412
   35   1HB   ASP   4          HB2       ASP   4 -16.202  -5.244   4.828
   36   2HB   ASP   4          HB1       ASP   4 -15.438  -4.402   3.485
   37    H    ILE   5           HN       ILE   5 -13.155  -3.401   6.730
   38    HA   ILE   5           HA       ILE   5 -11.813  -1.185   5.591
   39    HB   ILE   5           HB       ILE   5 -10.776  -3.480   7.264
   40   1HG1  ILE   5          HG12      ILE   5 -12.338  -1.956   8.403
   41   2HG1  ILE   5          HG11      ILE   5 -10.710  -1.811   9.059
   42   1HG2  ILE   5          HG21      ILE   5  -9.317  -0.970   6.438
   43   2HG2  ILE   5          HG22      ILE   5  -8.959  -2.607   5.887
   44   3HG2  ILE   5          HG23      ILE   5  -8.730  -2.177   7.583
   45   1HD1  ILE   5          HD11      ILE   5 -11.736   0.366   8.834
   46   2HD1  ILE   5          HD12      ILE   5 -12.024   0.077   7.118
   47   3HD1  ILE   5          HD13      ILE   5 -10.374   0.220   7.720
   48    H    PHE   6           HN       PHE   6 -11.320  -1.187   3.507
   49    HA   PHE   6           HA       PHE   6 -10.731  -3.525   2.010
   50   1HB   PHE   6          HB2       PHE   6 -11.741  -1.581   0.950
   51   2HB   PHE   6          HB1       PHE   6 -10.335  -0.601   1.346
   52    HD1  PHE   6           HD2      PHE   6 -11.448  -3.513  -0.648
   53    HD2  PHE   6           HD1      PHE   6  -8.499  -0.498  -0.098
   54    HE1  PHE   6           HE2      PHE   6 -10.429  -4.125  -2.801
   55    HE2  PHE   6           HE1      PHE   6  -7.472  -1.107  -2.248
   56    HZ   PHE   6           HZ       PHE   6  -8.437  -2.923  -3.602
   57    H    THR   7           HN       THR   7  -8.899  -4.614   1.968
   58    HA   THR   7           HA       THR   7  -6.374  -3.157   2.044
   59    HB   THR   7           HB       THR   7  -6.764  -3.911   4.362
   60    HG1  THR   7           HG1      THR   7  -4.603  -3.982   3.227
   61   1HG2  THR   7          HG21      THR   7  -6.776  -6.683   3.170
   62   2HG2  THR   7          HG22      THR   7  -8.143  -5.869   3.931
   63   3HG2  THR   7          HG23      THR   7  -6.733  -6.309   4.894
   64    H    SER   8           HN       SER   8  -4.718  -4.141   0.887
   65    HA   SER   8           HA       SER   8  -5.029  -6.767  -0.255
   66   1HB   SER   8          HB2       SER   8  -5.151  -4.329  -2.059
   67   2HB   SER   8          HB1       SER   8  -4.976  -5.994  -2.613
   68    HG   SER   8           HG       SER   8  -7.097  -5.596  -0.909
   69    H    VAL   9           HN       VAL   9  -3.144  -7.195  -1.804
   70    HA   VAL   9           HA       VAL   9  -0.800  -5.677  -0.889
   71    HB   VAL   9           HB       VAL   9   0.536  -7.694  -1.596
   72   1HG1  VAL   9          HG11      VAL   9  -1.512  -8.089   0.580
   73   2HG1  VAL   9          HG12      VAL   9   0.043  -7.273   0.741
   74   3HG1  VAL   9          HG13      VAL   9  -0.014  -9.005   0.407
   75   1HG2  VAL   9          HG21      VAL   9  -1.093  -8.725  -3.090
   76   2HG2  VAL   9          HG22      VAL   9  -2.186  -8.992  -1.732
   77   3HG2  VAL   9          HG23      VAL   9  -0.640  -9.838  -1.798
   78    H    VAL  10           HN       VAL  10   0.066  -4.359  -2.316
   79    HA   VAL  10           HA       VAL  10  -0.455  -4.848  -5.168
   80    HB   VAL  10           HB       VAL  10  -1.285  -2.696  -4.238
   81   1HG1  VAL  10          HG11      VAL  10   0.303  -0.928  -3.666
   82   2HG1  VAL  10          HG12      VAL  10   1.636  -2.071  -3.831
   83   3HG1  VAL  10          HG13      VAL  10   0.429  -2.299  -2.563
   84   1HG2  VAL  10          HG21      VAL  10   0.913  -2.424  -6.280
   85   2HG2  VAL  10          HG22      VAL  10  -0.384  -1.262  -6.001
   86   3HG2  VAL  10          HG23      VAL  10  -0.761  -2.877  -6.602
   87    H    ARG  11           HN       ARG  11   1.284  -4.536  -6.670
   88    HA   ARG  11           HA       ARG  11   3.745  -5.612  -5.687
   89   1HB   ARG  11          HB2       ARG  11   2.850  -6.288  -7.865
   90   2HB   ARG  11          HB1       ARG  11   2.995  -4.635  -8.451
   91   1HG   ARG  11          HG2       ARG  11   5.299  -4.741  -8.578
   92   2HG   ARG  11          HG1       ARG  11   5.404  -6.085  -7.439
   93   1HD   ARG  11          HD2       ARG  11   5.877  -6.780  -9.743
   94   2HD   ARG  11          HD1       ARG  11   4.465  -7.592  -9.081
   95    HE   ARG  11           HE       ARG  11   3.196  -5.745 -10.343
   96   1HH1  ARG  11          HH11      ARG  11   6.168  -7.248 -11.421
   97   2HH1  ARG  11          HH12      ARG  11   5.808  -7.051 -13.111
   98   1HH2  ARG  11          HH21      ARG  11   2.719  -5.464 -12.558
   99   2HH2  ARG  11          HH22      ARG  11   3.842  -6.034 -13.761
  100    H    VAL  12           HN       VAL  12   5.305  -4.482  -4.819
  101    HA   VAL  12           HA       VAL  12   5.373  -1.600  -5.164
  102    HB   VAL  12           HB       VAL  12   5.553  -2.635  -2.893
  103   1HG1  VAL  12          HG11      VAL  12   8.276  -3.489  -3.843
  104   2HG1  VAL  12          HG12      VAL  12   6.928  -4.558  -3.453
  105   3HG1  VAL  12          HG13      VAL  12   7.683  -3.588  -2.185
  106   1HG2  VAL  12          HG21      VAL  12   7.355  -1.191  -2.100
  107   2HG2  VAL  12          HG22      VAL  12   6.316  -0.368  -3.262
  108   3HG2  VAL  12          HG23      VAL  12   7.901  -0.964  -3.760
  109    H    ARG  13           HN       ARG  13   7.103  -0.459  -5.951
  110    HA   ARG  13           HA       ARG  13   9.151  -2.013  -7.397
  111   1HB   ARG  13          HB2       ARG  13   7.200  -0.656  -8.635
  112   2HB   ARG  13          HB1       ARG  13   8.320   0.675  -8.379
  113   1HG   ARG  13          HG2       ARG  13  10.057  -0.556  -9.568
  114   2HG   ARG  13          HG1       ARG  13   8.937  -1.895  -9.820
  115   1HD   ARG  13          HD2       ARG  13   8.949  -0.621 -11.820
  116   2HD   ARG  13          HD1       ARG  13   7.429  -0.279 -11.000
  117    HE   ARG  13           HE       ARG  13   8.735   1.776 -10.134
  118   1HH1  ARG  13          HH11      ARG  13   9.112   0.320 -13.307
  119   2HH1  ARG  13          HH12      ARG  13   9.580   1.815 -14.066
  120   1HH2  ARG  13          HH21      ARG  13   9.336   3.732 -11.142
  121   2HH2  ARG  13          HH22      ARG  13   9.699   3.753 -12.846
  122    H    GLY  14           HN       GLY  14  10.996  -0.275  -8.052
  123   1HA   GLY  14          HA2       GLY  14  12.179   1.699  -7.407
  124   2HA   GLY  14          HA1       GLY  14  11.373   1.631  -5.848
  125    H    SER  15           HN       SER  15  13.715   2.028  -5.267
  126    HA   SER  15           HA       SER  15  15.492  -0.229  -5.433
  127   1HB   SER  15          HB2       SER  15  15.755   2.358  -3.879
  128   2HB   SER  15          HB1       SER  15  17.043   1.186  -4.155
  129    HG   SER  15           HG       SER  15  15.694   2.180  -6.397
  130    H    LYS  16           HN       LYS  16  14.522  -1.902  -4.352
  131    HA   LYS  16           HA       LYS  16  14.807  -1.898  -1.499
  132   1HB   LYS  16          HB2       LYS  16  12.387  -2.829  -1.257
  133   2HB   LYS  16          HB1       LYS  16  12.640  -1.094  -1.306
  134   1HG   LYS  16          HG2       LYS  16  10.700  -1.845  -2.630
  135   2HG   LYS  16          HG1       LYS  16  11.906  -0.991  -3.590
  136   1HD   LYS  16          HD2       LYS  16  12.711  -3.037  -4.526
  137   2HD   LYS  16          HD1       LYS  16  11.737  -3.997  -3.413
  138   1HE   LYS  16          HE2       LYS  16   9.730  -3.339  -4.455
  139   2HE   LYS  16          HE1       LYS  16  10.541  -2.087  -5.406
  140   1HZ   LYS  16          HZ1       LYS  16  10.180  -3.885  -6.858
  141   2HZ   LYS  16          HZ2       LYS  16  10.693  -5.025  -5.716
  142   3HZ   LYS  16          HZ3       LYS  16  11.824  -3.992  -6.442
  143    H    LYS  17           HN       LYS  17  13.433  -4.221  -0.903
  144    HA   LYS  17           HA       LYS  17  14.629  -6.177  -2.752
  145   1HB   LYS  17          HB2       LYS  17  15.871  -5.709  -0.538
  146   2HB   LYS  17          HB1       LYS  17  14.541  -6.559   0.231
  147   1HG   LYS  17          HG2       LYS  17  15.052  -8.566  -1.003
  148   2HG   LYS  17          HG1       LYS  17  16.315  -7.723  -1.903
  149   1HD   LYS  17          HD2       LYS  17  17.511  -7.307   0.204
  150   2HD   LYS  17          HD1       LYS  17  16.263  -8.201   1.072
  151   1HE   LYS  17          HE2       LYS  17  16.817 -10.212  -0.190
  152   2HE   LYS  17          HE1       LYS  17  18.045  -9.317  -1.087
  153   1HZ   LYS  17          HZ1       LYS  17  19.201  -8.911   1.016
  154   2HZ   LYS  17          HZ2       LYS  17  19.051 -10.571   0.694
  155   3HZ   LYS  17          HZ3       LYS  17  18.042  -9.835   1.840
  156    H    TYR  18           HN       TYR  18  11.838  -5.077  -2.177
  157    HA   TYR  18           HA       TYR  18  10.521  -7.657  -1.693
  158   1HB   TYR  18          HB2       TYR  18   9.588  -4.882  -0.975
  159   2HB   TYR  18          HB1       TYR  18   8.531  -6.289  -0.951
  160    HD1  TYR  18           HD2      TYR  18   9.006  -8.145   0.656
  161    HD2  TYR  18           HD1      TYR  18  11.095  -4.442   0.805
  162    HE1  TYR  18           HE2      TYR  18   9.721  -8.650   2.952
  163    HE2  TYR  18           HE1      TYR  18  11.820  -4.943   3.099
  164    HH   TYR  18           HH       TYR  18  11.587  -7.997   4.486
  165    H    ASN  19           HN       ASN  19   8.377  -7.880  -2.778
  166    HA   ASN  19           HA       ASN  19   8.305  -6.326  -5.288
  167   1HB   ASN  19          HB2       ASN  19   8.056  -9.272  -4.855
  168   2HB   ASN  19          HB1       ASN  19   7.139  -8.529  -6.160
  169   1HD2  ASN  19          HD21      ASN  19   8.295  -9.621  -7.725
  170   2HD2  ASN  19          HD22      ASN  19   9.932  -9.220  -8.121
  171    H    VAL  20           HN       VAL  20   6.756  -6.804  -2.470
  172    HA   VAL  20           HA       VAL  20   4.208  -5.943  -3.542
  173    HB   VAL  20           HB       VAL  20   2.949  -7.620  -2.130
  174   1HG1  VAL  20          HG11      VAL  20   4.535  -8.692  -4.460
  175   2HG1  VAL  20          HG12      VAL  20   3.001  -7.825  -4.543
  176   3HG1  VAL  20          HG13      VAL  20   3.072  -9.421  -3.796
  177   1HG2  VAL  20          HG21      VAL  20   4.086  -9.738  -1.606
  178   2HG2  VAL  20          HG22      VAL  20   4.767  -8.377  -0.714
  179   3HG2  VAL  20          HG23      VAL  20   5.618  -9.027  -2.116
  180    H    VAL  21           HN       VAL  21   2.892  -4.912  -2.021
  181    HA   VAL  21           HA       VAL  21   3.821  -4.795   0.734
  182    HB   VAL  21           HB       VAL  21   4.976  -2.920  -0.254
  183   1HG1  VAL  21          HG11      VAL  21   3.614  -2.574  -2.230
  184   2HG1  VAL  21          HG12      VAL  21   3.791  -1.067  -1.331
  185   3HG1  VAL  21          HG13      VAL  21   2.286  -1.981  -1.232
  186   1HG2  VAL  21          HG21      VAL  21   4.120  -2.605   1.989
  187   2HG2  VAL  21          HG22      VAL  21   2.590  -2.014   1.347
  188   3HG2  VAL  21          HG23      VAL  21   4.068  -1.085   1.100
  189    HA   PRO  22           HA       PRO  22  -0.618  -5.142   1.319
  190   1HB   PRO  22          HB2       PRO  22   0.169  -4.705   4.127
  191   2HB   PRO  22          HB1       PRO  22  -0.729  -6.043   3.406
  192   1HG   PRO  22          HG2       PRO  22   1.810  -6.313   4.243
  193   2HG   PRO  22          HG1       PRO  22   1.176  -7.195   2.847
  194   1HD   PRO  22          HD2       PRO  22   2.953  -4.807   2.929
  195   2HD   PRO  22          HD1       PRO  22   2.949  -6.172   1.800
  196    H    VAL  23           HN       VAL  23  -1.712  -3.399   0.764
  197    HA   VAL  23           HA       VAL  23  -1.386  -0.933   2.334
  198    HB   VAL  23           HB       VAL  23  -2.550   0.224   0.495
  199   1HG1  VAL  23          HG11      VAL  23  -0.119   0.108   0.439
  200   2HG1  VAL  23          HG12      VAL  23  -0.784   0.060  -1.194
  201   3HG1  VAL  23          HG13      VAL  23  -0.201  -1.422  -0.437
  202   1HG2  VAL  23          HG21      VAL  23  -2.974  -0.926  -1.624
  203   2HG2  VAL  23          HG22      VAL  23  -3.924  -1.621  -0.310
  204   3HG2  VAL  23          HG23      VAL  23  -2.480  -2.452  -0.891
  205    H    LYS  24           HN       LYS  24  -3.321   0.115   3.103
  206    HA   LYS  24           HA       LYS  24  -5.774  -1.445   2.993
  207   1HB   LYS  24          HB2       LYS  24  -5.993  -1.475   5.466
  208   2HB   LYS  24          HB1       LYS  24  -4.670  -2.468   4.873
  209   1HG   LYS  24          HG2       LYS  24  -3.103  -0.631   5.432
  210   2HG   LYS  24          HG1       LYS  24  -4.459   0.258   6.133
  211   1HD   LYS  24          HD2       LYS  24  -3.557  -2.484   7.011
  212   2HD   LYS  24          HD1       LYS  24  -3.111  -0.977   7.810
  213   1HE   LYS  24          HE2       LYS  24  -5.437  -0.522   8.318
  214   2HE   LYS  24          HE1       LYS  24  -5.935  -1.964   7.434
  215   1HZ   LYS  24          HZ1       LYS  24  -5.836  -2.252   9.882
  216   2HZ   LYS  24          HZ2       LYS  24  -4.153  -2.023   9.809
  217   3HZ   LYS  24          HZ3       LYS  24  -4.867  -3.347   9.022
  218    H    SER  25           HN       SER  25  -7.500  -0.334   4.350
  219    HA   SER  25           HA       SER  25  -7.342   2.554   3.831
  220   1HB   SER  25          HB2       SER  25  -9.827   0.861   4.140
  221   2HB   SER  25          HB1       SER  25  -9.720   2.507   3.512
  222    HG   SER  25           HG       SER  25  -8.482   0.251   2.312
  223    H    ASN  26           HN       ASN  26  -7.485   3.922   5.513
  224    HA   ASN  26           HA       ASN  26  -7.707   2.844   8.176
  225   1HB   ASN  26          HB2       ASN  26  -7.154   5.010   8.974
  226   2HB   ASN  26          HB1       ASN  26  -6.198   4.776   7.517
  227   1HD2  ASN  26          HD21      ASN  26  -6.734   5.952   5.645
  228   2HD2  ASN  26          HD22      ASN  26  -7.716   7.384   5.731
  229    H    LYS  27           HN       LYS  27  -9.892   3.792   5.869
  230    HA   LYS  27           HA       LYS  27 -12.001   4.191   7.882
  231   1HB   LYS  27          HB2       LYS  27 -11.819   5.389   5.105
  232   2HB   LYS  27          HB1       LYS  27 -13.196   5.555   6.188
  233   1HG   LYS  27          HG2       LYS  27 -11.941   6.848   7.727
  234   2HG   LYS  27          HG1       LYS  27 -10.427   6.477   6.904
  235   1HD   LYS  27          HD2       LYS  27 -11.241   7.707   4.924
  236   2HD   LYS  27          HD1       LYS  27 -12.704   8.130   5.817
  237   1HE   LYS  27          HE2       LYS  27 -11.441   9.376   7.424
  238   2HE   LYS  27          HE1       LYS  27  -9.919   8.817   6.734
  239   1HZ   LYS  27          HZ1       LYS  27 -11.902  10.567   5.379
  240   2HZ   LYS  27          HZ2       LYS  27 -10.446  10.016   4.705
  241   3HZ   LYS  27          HZ3       LYS  27 -10.415  11.064   6.034
  242    HA   PRO  28           HA       PRO  28 -13.742   0.507   6.209
  243   1HB   PRO  28          HB2       PRO  28 -16.379   0.918   6.790
  244   2HB   PRO  28          HB1       PRO  28 -15.176   0.439   7.990
  245   1HG   PRO  28          HG2       PRO  28 -16.298   3.148   7.409
  246   2HG   PRO  28          HG1       PRO  28 -15.942   2.394   8.974
  247   1HD   PRO  28          HD2       PRO  28 -14.306   4.221   7.830
  248   2HD   PRO  28          HD1       PRO  28 -13.697   2.900   8.847
  249    H    VAL  29           HN       VAL  29 -14.297  -0.120   4.255
  250    HA   VAL  29           HA       VAL  29 -15.374   1.890   2.401
  251    HB   VAL  29           HB       VAL  29 -13.856  -0.607   1.663
  252   1HG1  VAL  29          HG11      VAL  29 -13.410   0.616  -0.416
  253   2HG1  VAL  29          HG12      VAL  29 -14.391   1.957   0.174
  254   3HG1  VAL  29          HG13      VAL  29 -15.135   0.389  -0.134
  255   1HG2  VAL  29          HG21      VAL  29 -12.745   2.143   2.212
  256   2HG2  VAL  29          HG22      VAL  29 -11.851   0.821   1.457
  257   3HG2  VAL  29          HG23      VAL  29 -12.419   0.665   3.123
  258    H    GLU  30           HN       GLU  30 -17.180   1.467   1.269
  259    HA   GLU  30           HA       GLU  30 -18.672  -0.930   1.877
  260   1HB   GLU  30          HB2       GLU  30 -20.418   0.164   0.434
  261   2HB   GLU  30          HB1       GLU  30 -19.928   1.094   1.844
  262   1HG   GLU  30          HG2       GLU  30 -18.251   2.183   0.148
  263   2HG   GLU  30          HG1       GLU  30 -19.423   1.610  -1.039
  264    H    ILE  31           HN       ILE  31 -19.380  -2.440   0.330
  265    HA   ILE  31           HA       ILE  31 -17.256  -3.143  -1.428
  266    HB   ILE  31           HB       ILE  31 -18.711  -5.124  -1.976
  267   1HG1  ILE  31          HG12      ILE  31 -20.460  -3.856   0.146
  268   2HG1  ILE  31          HG11      ILE  31 -20.895  -4.132  -1.538
  269   1HG2  ILE  31          HG21      ILE  31 -18.079  -4.555   0.918
  270   2HG2  ILE  31          HG22      ILE  31 -16.965  -5.195  -0.289
  271   3HG2  ILE  31          HG23      ILE  31 -18.352  -6.154   0.224
  272   1HD1  ILE  31          HD11      ILE  31 -20.315  -6.268   0.502
  273   2HD1  ILE  31          HD12      ILE  31 -20.782  -6.535  -1.180
  274   3HD1  ILE  31          HD13      ILE  31 -21.913  -5.775  -0.061
  275    H    SER  32           HN       SER  32 -19.675  -1.013  -1.973
  276    HA   SER  32           HA       SER  32 -20.146  -1.679  -4.745
  277   1HB   SER  32          HB2       SER  32 -21.152   0.705  -4.701
  278   2HB   SER  32          HB1       SER  32 -21.950  -0.541  -3.737
  279    HG   SER  32           HG       SER  32 -21.630   1.404  -2.556
  280    H    LYS  33           HN       LYS  33 -18.054   0.365  -2.842
  281    HA   LYS  33           HA       LYS  33 -16.832   1.563  -5.209
  282   1HB   LYS  33          HB2       LYS  33 -16.281   1.961  -2.257
  283   2HB   LYS  33          HB1       LYS  33 -15.507   2.857  -3.556
  284   1HG   LYS  33          HG2       LYS  33 -17.517   3.944  -4.142
  285   2HG   LYS  33          HG1       LYS  33 -18.483   2.849  -3.152
  286   1HD   LYS  33          HD2       LYS  33 -17.425   3.751  -1.132
  287   2HD   LYS  33          HD1       LYS  33 -16.470   4.852  -2.129
  288   1HE   LYS  33          HE2       LYS  33 -18.392   6.057  -2.805
  289   2HE   LYS  33          HE1       LYS  33 -19.477   4.815  -2.184
  290   1HZ   LYS  33          HZ1       LYS  33 -19.375   6.772  -0.744
  291   2HZ   LYS  33          HZ2       LYS  33 -17.713   6.519  -0.502
  292   3HZ   LYS  33          HZ3       LYS  33 -18.839   5.374   0.054
  293    H    TRP  34           HN       TRP  34 -16.564  -1.194  -3.428
  294    HA   TRP  34           HA       TRP  34 -13.847  -1.606  -2.988
  295   1HB   TRP  34          HB2       TRP  34 -15.784  -3.013  -2.184
  296   2HB   TRP  34          HB1       TRP  34 -15.860  -3.714  -3.793
  297    HD1  TRP  34           HD1      TRP  34 -13.808  -3.774  -0.589
  298    HE1  TRP  34           HE1      TRP  34 -12.188  -5.773  -0.666
  299    HE3  TRP  34           HE3      TRP  34 -14.538  -5.217  -5.440
  300    HZ2  TRP  34           HZ2      TRP  34 -11.335  -7.704  -2.540
  301    HZ3  TRP  34           HZ3      TRP  34 -13.283  -7.153  -6.295
  302    HH2  TRP  34           HH2      TRP  34 -11.714  -8.369  -4.873
  303    H    ILE  35           HN       ILE  35 -15.809  -2.172  -5.865
  304    HA   ILE  35           HA       ILE  35 -13.841  -3.539  -7.363
  305    HB   ILE  35           HB       ILE  35 -16.154  -1.903  -8.422
  306   1HG1  ILE  35          HG12      ILE  35 -16.056  -4.847  -7.717
  307   2HG1  ILE  35          HG11      ILE  35 -16.840  -3.608  -6.744
  308   1HG2  ILE  35          HG21      ILE  35 -14.599  -4.179  -9.654
  309   2HG2  ILE  35          HG22      ILE  35 -14.511  -2.482 -10.127
  310   3HG2  ILE  35          HG23      ILE  35 -16.004  -3.388 -10.367
  311   1HD1  ILE  35          HD11      ILE  35 -18.459  -4.829  -8.062
  312   2HD1  ILE  35          HD12      ILE  35 -17.596  -4.409  -9.543
  313   3HD1  ILE  35          HD13      ILE  35 -18.375  -3.149  -8.588
  314    H    ASP  36           HN       ASP  36 -14.779  -0.132  -7.172
  315    HA   ASP  36           HA       ASP  36 -13.100   0.866  -9.183
  316   1HB   ASP  36          HB2       ASP  36 -14.343   2.086  -6.732
  317   2HB   ASP  36          HB1       ASP  36 -13.229   3.021  -7.723
  318    H    PHE  37           HN       PHE  37 -12.568   0.444  -5.708
  319    HA   PHE  37           HA       PHE  37  -9.984   1.519  -5.584
  320   1HB   PHE  37          HB2       PHE  37 -11.399  -0.546  -3.909
  321   2HB   PHE  37          HB1       PHE  37  -9.751  -0.038  -3.558
  322    HD1  PHE  37           HD2      PHE  37 -12.161   2.360  -4.896
  323    HD2  PHE  37           HD1      PHE  37 -10.395   0.763  -1.371
  324    HE1  PHE  37           HE2      PHE  37 -13.020   4.271  -3.609
  325    HE2  PHE  37           HE1      PHE  37 -11.249   2.668  -0.076
  326    HZ   PHE  37           HZ       PHE  37 -12.559   4.422  -1.193
  327    H    SER  38           HN       SER  38 -11.097  -1.751  -6.307
  328    HA   SER  38           HA       SER  38  -8.566  -2.966  -6.453
  329   1HB   SER  38          HB2       SER  38 -11.083  -3.684  -7.980
  330   2HB   SER  38          HB1       SER  38  -9.699  -4.743  -7.697
  331    HG   SER  38           HG       SER  38 -11.428  -3.647  -5.717
  332    H    ASN  39           HN       ASN  39 -10.517  -1.247  -8.836
  333    HA   ASN  39           HA       ASN  39  -8.877  -1.725 -11.082
  334   1HB   ASN  39          HB2       ASN  39 -10.792   0.521 -10.442
  335   2HB   ASN  39          HB1       ASN  39  -9.953   0.393 -11.983
  336   1HD2  ASN  39          HD21      ASN  39 -12.820   0.287 -11.340
  337   2HD2  ASN  39          HD22      ASN  39 -13.384  -1.216 -11.974
  338    H    VAL  40           HN       VAL  40  -8.825   0.748  -8.574
  339    HA   VAL  40           HA       VAL  40  -6.817   2.360  -9.758
  340    HB   VAL  40           HB       VAL  40  -7.535   2.111  -6.830
  341   1HG1  VAL  40          HG11      VAL  40  -5.361   3.170  -7.160
  342   2HG1  VAL  40          HG12      VAL  40  -6.558   4.348  -6.617
  343   3HG1  VAL  40          HG13      VAL  40  -6.077   4.297  -8.313
  344   1HG2  VAL  40          HG21      VAL  40  -8.923   4.095  -7.218
  345   2HG2  VAL  40          HG22      VAL  40  -9.462   2.722  -8.186
  346   3HG2  VAL  40          HG23      VAL  40  -8.535   4.023  -8.937
  347    H    LEU  41           HN       LEU  41  -6.691  -0.316  -7.421
  348    HA   LEU  41           HA       LEU  41  -3.885  -0.132  -6.998
  349   1HB   LEU  41          HB2       LEU  41  -5.783  -2.442  -6.594
  350   2HB   LEU  41          HB1       LEU  41  -4.104  -2.452  -6.093
  351    HG   LEU  41           HG       LEU  41  -6.297  -0.672  -5.032
  352   1HD1  LEU  41          HD11      LEU  41  -4.635  -2.821  -3.729
  353   2HD1  LEU  41          HD12      LEU  41  -6.331  -2.957  -4.191
  354   3HD1  LEU  41          HD13      LEU  41  -5.851  -1.821  -2.930
  355   1HD2  LEU  41          HD21      LEU  41  -4.215   0.591  -5.197
  356   2HD2  LEU  41          HD22      LEU  41  -3.358  -0.695  -4.345
  357   3HD2  LEU  41          HD23      LEU  41  -4.606   0.234  -3.515
  358    H    SER  42           HN       SER  42  -5.794  -1.473  -9.522
  359    HA   SER  42           HA       SER  42  -3.663  -3.102 -10.595
  360   1HB   SER  42          HB2       SER  42  -6.057  -3.688 -10.925
  361   2HB   SER  42          HB1       SER  42  -6.264  -2.217 -11.877
  362    HG   SER  42           HG       SER  42  -4.298  -3.298 -13.047
  363    H    ARG  43           HN       ARG  43  -3.934   0.065 -10.268
  364    HA   ARG  43           HA       ARG  43  -2.514   0.642 -12.781
  365   1HB   ARG  43          HB2       ARG  43  -4.697   1.690 -12.872
  366   2HB   ARG  43          HB1       ARG  43  -4.478   2.384 -11.275
  367   1HG   ARG  43          HG2       ARG  43  -4.209   4.032 -13.071
  368   2HG   ARG  43          HG1       ARG  43  -2.746   3.847 -12.103
  369   1HD   ARG  43          HD2       ARG  43  -2.299   3.993 -14.533
  370   2HD   ARG  43          HD1       ARG  43  -1.724   2.495 -13.804
  371    HE   ARG  43           HE       ARG  43  -4.085   1.697 -14.701
  372   1HH1  ARG  43          HH11      ARG  43  -1.686   3.720 -16.264
  373   2HH1  ARG  43          HH12      ARG  43  -2.045   3.124 -17.861
  374   1HH2  ARG  43          HH21      ARG  43  -4.579   0.941 -16.782
  375   2HH2  ARG  43          HH22      ARG  43  -3.731   1.580 -18.164
  376    H    LEU  44           HN       LEU  44  -2.802   1.111  -9.346
  377    HA   LEU  44           HA       LEU  44  -0.712   3.055  -9.129
  378   1HB   LEU  44          HB2       LEU  44  -2.556   2.983  -7.534
  379   2HB   LEU  44          HB1       LEU  44  -2.090   1.367  -7.042
  380    HG   LEU  44           HG       LEU  44   0.080   2.311  -6.227
  381   1HD1  LEU  44          HD11      LEU  44   0.214   4.727  -5.864
  382   2HD1  LEU  44          HD12      LEU  44  -1.298   4.941  -6.746
  383   3HD1  LEU  44          HD13      LEU  44   0.130   4.330  -7.581
  384   1HD2  LEU  44          HD21      LEU  44  -0.862   3.246  -4.189
  385   2HD2  LEU  44          HD22      LEU  44  -1.783   1.838  -4.717
  386   3HD2  LEU  44          HD23      LEU  44  -2.417   3.461  -4.990
  387    H    TYR  45           HN       TYR  45   1.313   2.481  -9.580
  388    HA   TYR  45           HA       TYR  45   2.389   0.127  -8.183
  389   1HB   TYR  45          HB2       TYR  45   3.176   1.384 -10.803
  390   2HB   TYR  45          HB1       TYR  45   4.328   0.422  -9.881
  391    HD1  TYR  45           HD1      TYR  45   0.932   0.254 -11.415
  392    HD2  TYR  45           HD2      TYR  45   4.369  -1.890 -10.107
  393    HE1  TYR  45           HE1      TYR  45   0.013  -1.808 -12.393
  394    HE2  TYR  45           HE2      TYR  45   3.459  -3.955 -11.084
  395    HH   TYR  45           HH       TYR  45   0.752  -3.961 -13.190
  396    H    VAL  46           HN       VAL  46   3.317   0.781  -6.360
  397    HA   VAL  46           HA       VAL  46   4.321   3.514  -6.202
  398    HB   VAL  46           HB       VAL  46   4.468   3.063  -3.732
  399   1HG1  VAL  46          HG11      VAL  46   2.573   4.234  -4.700
  400   2HG1  VAL  46          HG12      VAL  46   2.040   3.197  -3.377
  401   3HG1  VAL  46          HG13      VAL  46   1.779   2.699  -5.049
  402   1HG2  VAL  46          HG21      VAL  46   3.272   1.134  -2.829
  403   2HG2  VAL  46          HG22      VAL  46   4.632   0.618  -3.826
  404   3HG2  VAL  46          HG23      VAL  46   2.989   0.532  -4.462
  405    H    GLY  47           HN       GLY  47   6.395   3.947  -6.390
  406   1HA   GLY  47          HA2       GLY  47   8.311   1.745  -6.001
  407   2HA   GLY  47          HA1       GLY  47   8.584   3.153  -7.022
  408    H    VAL  48           HN       VAL  48   7.143   3.537  -3.910
  409    HA   VAL  48           HA       VAL  48   9.648   4.728  -2.926
  410    HB   VAL  48           HB       VAL  48   6.827   5.424  -2.079
  411   1HG1  VAL  48          HG11      VAL  48   7.878   7.303  -0.911
  412   2HG1  VAL  48          HG12      VAL  48   9.468   6.712  -1.394
  413   3HG1  VAL  48          HG13      VAL  48   8.464   5.753  -0.306
  414   1HG2  VAL  48          HG21      VAL  48   7.203   7.556  -3.247
  415   2HG2  VAL  48          HG22      VAL  48   7.226   6.179  -4.349
  416   3HG2  VAL  48          HG23      VAL  48   8.739   6.938  -3.855
  417    HA   PRO  49           HA       PRO  49   9.130   1.310   0.002
  418   1HB   PRO  49          HB2       PRO  49  11.937   1.807   0.609
  419   2HB   PRO  49          HB1       PRO  49  11.188   0.357  -0.061
  420   1HG   PRO  49          HG2       PRO  49  12.822   1.962  -1.508
  421   2HG   PRO  49          HG1       PRO  49  11.488   1.045  -2.234
  422   1HD   PRO  49          HD2       PRO  49  11.603   3.938  -1.469
  423   2HD   PRO  49          HD1       PRO  49  10.912   3.187  -2.924
  424    H    THR  50           HN       THR  50   7.860   2.487   1.426
  425    HA   THR  50           HA       THR  50   9.278   4.212   3.336
  426    HB   THR  50           HB       THR  50   6.590   4.553   3.831
  427    HG1  THR  50           HG1      THR  50   5.706   3.719   2.055
  428   1HG2  THR  50          HG21      THR  50   8.380   6.138   1.977
  429   2HG2  THR  50          HG22      THR  50   8.266   6.327   3.727
  430   3HG2  THR  50          HG23      THR  50   6.886   6.728   2.706
  431    H    LYS  51           HN       LYS  51   8.577   4.081   5.610
  432    HA   LYS  51           HA       LYS  51   8.293   1.245   6.278
  433   1HB   LYS  51          HB2       LYS  51   9.587   3.524   7.764
  434   2HB   LYS  51          HB1       LYS  51   9.325   1.939   8.481
  435   1HG   LYS  51          HG2       LYS  51  10.732   0.911   6.801
  436   2HG   LYS  51          HG1       LYS  51  10.936   2.461   5.987
  437   1HD   LYS  51          HD2       LYS  51  11.769   1.955   8.839
  438   2HD   LYS  51          HD1       LYS  51  12.849   1.753   7.459
  439   1HE   LYS  51          HE2       LYS  51  11.402   4.314   8.119
  440   2HE   LYS  51          HE1       LYS  51  13.054   3.956   8.619
  441   1HZ   LYS  51          HZ1       LYS  51  12.919   5.305   6.577
  442   2HZ   LYS  51          HZ2       LYS  51  12.129   4.026   5.794
  443   3HZ   LYS  51          HZ3       LYS  51  13.725   3.834   6.332
  444    H    SER  52           HN       SER  52   5.965   1.437   6.031
  445    HA   SER  52           HA       SER  52   3.926   1.226   7.002
  446   1HB   SER  52          HB2       SER  52   5.241   0.349   8.939
  447   2HB   SER  52          HB1       SER  52   5.255   1.979   9.608
  448    HG   SER  52           HG       SER  52   3.442   1.392  10.480
  449    H    GLY  53           HN       GLY  53   2.131   2.417   7.828
  450   1HA   GLY  53          HA2       GLY  53   0.845   4.267   8.195
  451   2HA   GLY  53          HA1       GLY  53   2.251   4.938   9.005
  452    H    ASN  54           HN       ASN  54   2.192   4.011   5.626
  453    HA   ASN  54           HA       ASN  54   2.608   6.873   5.029
  454   1HB   ASN  54          HB2       ASN  54   3.870   6.115   3.006
  455   2HB   ASN  54          HB1       ASN  54   4.618   5.675   4.536
  456   1HD2  ASN  54          HD21      ASN  54   4.713   3.537   5.142
  457   2HD2  ASN  54          HD22      ASN  54   4.399   2.244   4.036
  458    H    VAL  55           HN       VAL  55   1.115   7.872   3.992
  459    HA   VAL  55           HA       VAL  55  -1.081   6.452   2.777
  460    HB   VAL  55           HB       VAL  55  -0.593   9.436   2.767
  461   1HG1  VAL  55          HG11      VAL  55  -2.299   8.694   1.219
  462   2HG1  VAL  55          HG12      VAL  55  -3.036   9.563   2.565
  463   3HG1  VAL  55          HG13      VAL  55  -3.111   7.802   2.505
  464   1HG2  VAL  55          HG21      VAL  55  -2.037   7.795   4.849
  465   2HG2  VAL  55          HG22      VAL  55  -1.982   9.557   4.781
  466   3HG2  VAL  55          HG23      VAL  55  -0.503   8.639   5.070
  467    H    VAL  56           HN       VAL  56  -0.776   5.635   0.781
  468    HA   VAL  56           HA       VAL  56   0.970   6.988  -1.099
  469    HB   VAL  56           HB       VAL  56   0.262   5.094  -2.656
  470   1HG1  VAL  56          HG11      VAL  56   2.400   5.157  -1.488
  471   2HG1  VAL  56          HG12      VAL  56   1.772   3.511  -1.544
  472   3HG1  VAL  56          HG13      VAL  56   1.653   4.449  -0.056
  473   1HG2  VAL  56          HG21      VAL  56  -0.868   4.012  -0.076
  474   2HG2  VAL  56          HG22      VAL  56  -0.655   3.098  -1.569
  475   3HG2  VAL  56          HG23      VAL  56  -1.791   4.446  -1.516
  476    H    CYS  57           HN       CYS  57  -2.475   6.291  -0.757
  477    HA   CYS  57           HA       CYS  57  -2.963   8.434  -2.702
  478   1HB   CYS  57          HB2       CYS  57  -4.501   5.837  -2.492
  479   2HB   CYS  57          HB1       CYS  57  -4.960   7.203  -3.504
  480    HG   CYS  57           HG       CYS  57  -1.963   6.686  -4.401
  481    H    LYS  58           HN       LYS  58  -3.526  10.019  -1.304
  482    HA   LYS  58           HA       LYS  58  -5.343   9.454   0.883
  483   1HB   LYS  58          HB2       LYS  58  -3.378  11.152   0.901
  484   2HB   LYS  58          HB1       LYS  58  -4.487  12.209   0.033
  485   1HG   LYS  58          HG2       LYS  58  -6.099  11.997   1.866
  486   2HG   LYS  58          HG1       LYS  58  -4.951  10.982   2.738
  487   1HD   LYS  58          HD2       LYS  58  -3.332  12.902   2.621
  488   2HD   LYS  58          HD1       LYS  58  -4.665  13.888   2.010
  489   1HE   LYS  58          HE2       LYS  58  -4.427  12.533   4.685
  490   2HE   LYS  58          HE1       LYS  58  -4.562  14.260   4.352
  491   1HZ   LYS  58          HZ1       LYS  58  -6.677  12.196   3.978
  492   2HZ   LYS  58          HZ2       LYS  58  -6.822  13.816   3.482
  493   3HZ   LYS  58          HZ3       LYS  58  -6.660  13.448   5.128
  494    H    ASN  59           HN       ASN  59  -7.472   9.539   0.700
  495    HA   ASN  59           HA       ASN  59  -9.516   9.654  -0.241
  496   1HB   ASN  59          HB2       ASN  59  -9.308  12.078   0.023
  497   2HB   ASN  59          HB1       ASN  59  -8.452  12.192  -1.510
  498   1HD2  ASN  59          HD21      ASN  59  -9.595  12.207  -3.394
  499   2HD2  ASN  59          HD22      ASN  59 -11.322  12.240  -3.465
  500    H    ILE  60           HN       ILE  60  -8.829   7.722  -1.298
  501    HA   ILE  60           HA       ILE  60  -7.887   7.787  -3.994
  502    HB   ILE  60           HB       ILE  60  -7.356   5.861  -2.681
  503   1HG1  ILE  60          HG12      ILE  60  -9.453   5.081  -4.720
  504   2HG1  ILE  60          HG11      ILE  60  -7.771   5.459  -5.080
  505   1HG2  ILE  60          HG21      ILE  60 -10.314   5.417  -2.343
  506   2HG2  ILE  60          HG22      ILE  60  -9.190   5.961  -1.097
  507   3HG2  ILE  60          HG23      ILE  60  -9.038   4.340  -1.776
  508   1HD1  ILE  60          HD11      ILE  60  -8.131   3.068  -5.059
  509   2HD1  ILE  60          HD12      ILE  60  -8.756   3.157  -3.412
  510   3HD1  ILE  60          HD13      ILE  60  -7.065   3.541  -3.736
  511    H    MET  61           HN       MET  61  -8.992   7.946  -5.811
  512    HA   MET  61           HA       MET  61 -10.674   8.287  -7.281
  513   1HB   MET  61          HB2       MET  61 -12.242   6.609  -5.320
  514   2HB   MET  61          HB1       MET  61 -12.877   7.150  -6.866
  515   1HG   MET  61          HG2       MET  61 -10.429   5.436  -6.517
  516   2HG   MET  61          HG1       MET  61 -12.037   4.836  -6.908
  517   1HE   MET  61          HE1       MET  61 -12.681   6.416 -10.412
  518   2HE   MET  61          HE2       MET  61 -13.104   7.115  -8.848
  519   3HE   MET  61          HE3       MET  61 -13.315   5.387  -9.128
  520    H    ASN  62           HN       ASN  62 -12.709   8.275  -4.406
  521    HA   ASN  62           HA       ASN  62 -12.638  10.910  -3.658
  522   1HB   ASN  62          HB2       ASN  62 -13.436  11.440  -5.967
  523   2HB   ASN  62          HB1       ASN  62 -14.889  10.497  -5.647
  524   1HD2  ASN  62          HD21      ASN  62 -16.300  12.176  -5.834
  525   2HD2  ASN  62          HD22      ASN  62 -16.378  13.485  -4.695
  526    H    THR  63           HN       THR  63 -12.873   9.507  -1.801
  527    HA   THR  63           HA       THR  63 -15.616   9.490  -0.933
  528    HB   THR  63           HB       THR  63 -15.441   7.317  -2.101
  529    HG1  THR  63           HG1      THR  63 -16.023   7.591   0.598
  530   1HG2  THR  63          HG21      THR  63 -14.057   5.534  -1.154
  531   2HG2  THR  63          HG22      THR  63 -13.347   6.687  -0.023
  532   3HG2  THR  63          HG23      THR  63 -13.075   6.868  -1.756
  533    H    GLY  64           HN       GLY  64 -12.711  10.426  -0.273
  534   1HA   GLY  64          HA2       GLY  64 -11.916  11.267   1.726
  535   2HA   GLY  64          HA1       GLY  64 -13.165  10.372   2.571
  536    H    VAL  65           HN       VAL  65 -12.129   7.878   1.082
  537    HA   VAL  65           HA       VAL  65 -10.631   6.948   3.287
  538    HB   VAL  65           HB       VAL  65 -11.143   5.697   0.588
  539   1HG1  VAL  65          HG11      VAL  65 -10.346   3.596   1.566
  540   2HG1  VAL  65          HG12      VAL  65  -9.864   4.462   3.026
  541   3HG1  VAL  65          HG13      VAL  65  -9.064   4.804   1.492
  542   1HG2  VAL  65          HG21      VAL  65 -12.280   5.153   3.328
  543   2HG2  VAL  65          HG22      VAL  65 -12.684   4.276   1.852
  544   3HG2  VAL  65          HG23      VAL  65 -13.109   5.982   2.009
  545    H    ASP  66           HN       ASP  66  -8.602   7.242   3.735
  546    HA   ASP  66           HA       ASP  66  -6.657   7.872   1.647
  547   1HB   ASP  66          HB2       ASP  66  -5.868   7.635   4.518
  548   2HB   ASP  66          HB1       ASP  66  -5.322   8.780   3.302
  549    H    ILE  67           HN       ILE  67  -5.432   6.297   0.812
  550    HA   ILE  67           HA       ILE  67  -5.469   3.662   2.062
  551    HB   ILE  67           HB       ILE  67  -4.253   4.528  -0.576
  552   1HG1  ILE  67          HG12      ILE  67  -6.701   4.784  -0.530
  553   2HG1  ILE  67          HG11      ILE  67  -6.212   3.483  -1.610
  554   1HG2  ILE  67          HG21      ILE  67  -3.192   2.524   0.317
  555   2HG2  ILE  67          HG22      ILE  67  -4.176   2.135  -1.094
  556   3HG2  ILE  67          HG23      ILE  67  -4.770   1.765   0.524
  557   1HD1  ILE  67          HD11      ILE  67  -6.794   1.849   0.120
  558   2HD1  ILE  67          HD12      ILE  67  -8.169   2.859  -0.332
  559   3HD1  ILE  67          HD13      ILE  67  -7.307   3.164   1.178
  560    H    ILE  68           HN       ILE  68  -3.885   2.945   3.310
  561    HA   ILE  68           HA       ILE  68  -1.246   4.251   3.119
  562    HB   ILE  68           HB       ILE  68  -0.966   3.736   5.552
  563   1HG1  ILE  68          HG12      ILE  68  -3.947   3.241   5.419
  564   2HG1  ILE  68          HG11      ILE  68  -2.716   2.031   5.764
  565   1HG2  ILE  68          HG21      ILE  68  -1.484   5.979   4.766
  566   2HG2  ILE  68          HG22      ILE  68  -2.232   5.659   6.329
  567   3HG2  ILE  68          HG23      ILE  68  -3.207   5.623   4.860
  568   1HD1  ILE  68          HD11      ILE  68  -2.140   3.167   7.816
  569   2HD1  ILE  68          HD12      ILE  68  -3.866   2.804   7.779
  570   3HD1  ILE  68          HD13      ILE  68  -3.300   4.445   7.457
  571    H    CYS  69           HN       CYS  69   0.521   2.957   3.034
  572    HA   CYS  69           HA       CYS  69   0.116   0.071   3.054
  573   1HB   CYS  69          HB2       CYS  69   2.804   1.355   2.743
  574   2HB   CYS  69          HB1       CYS  69   2.182  -0.123   2.016
  575    HG   CYS  69           HG       CYS  69   2.331   2.878   0.749
  576    H    THR  70           HN       THR  70   0.479  -1.115   4.826
  577    HA   THR  70           HA       THR  70   1.543   0.339   7.150
  578    HB   THR  70           HB       THR  70  -0.779  -0.577   7.269
  579    HG1  THR  70           HG1      THR  70   1.150  -1.669   9.059
  580   1HG2  THR  70          HG21      THR  70  -1.121  -2.997   7.482
  581   2HG2  THR  70          HG22      THR  70   0.585  -3.265   7.125
  582   3HG2  THR  70          HG23      THR  70  -0.473  -2.573   5.896
  583    H    LYS  71           HN       LYS  71   2.831  -1.535   4.908
  584    HA   LYS  71           HA       LYS  71   4.333  -3.256   6.735
  585   1HB   LYS  71          HB2       LYS  71   3.455  -4.180   4.583
  586   2HB   LYS  71          HB1       LYS  71   4.511  -3.071   3.721
  587   1HG   LYS  71          HG2       LYS  71   6.461  -4.135   4.774
  588   2HG   LYS  71          HG1       LYS  71   5.382  -5.272   5.584
  589   1HD   LYS  71          HD2       LYS  71   4.557  -5.934   3.291
  590   2HD   LYS  71          HD1       LYS  71   5.890  -4.986   2.629
  591   1HE   LYS  71          HE2       LYS  71   6.490  -7.344   2.782
  592   2HE   LYS  71          HE1       LYS  71   7.486  -6.367   3.861
  593   1HZ   LYS  71          HZ1       LYS  71   5.099  -7.936   4.683
  594   2HZ   LYS  71          HZ2       LYS  71   6.102  -7.036   5.714
  595   3HZ   LYS  71          HZ3       LYS  71   6.710  -8.408   4.928
  596    H    ASN  72           HN       ASN  72   6.582  -3.065   6.962
  597    HA   ASN  72           HA       ASN  72   7.487  -0.345   6.459
  598   1HB   ASN  72          HB2       ASN  72   8.653  -2.518   8.210
  599   2HB   ASN  72          HB1       ASN  72   9.358  -0.917   8.015
  600   1HD2  ASN  72          HD21      ASN  72   5.936  -1.769   8.287
  601   2HD2  ASN  72          HD22      ASN  72   5.648  -0.899   9.748
  602    H    LEU  73           HN       LEU  73   8.307  -0.104   4.499
  603    HA   LEU  73           HA       LEU  73   9.949  -2.238   3.357
  604   1HB   LEU  73          HB2       LEU  73   8.908   0.310   2.120
  605   2HB   LEU  73          HB1       LEU  73   9.777  -0.952   1.270
  606    HG   LEU  73           HG       LEU  73   7.087  -1.337   2.584
  607   1HD1  LEU  73          HD11      LEU  73   7.799  -0.850  -0.300
  608   2HD1  LEU  73          HD12      LEU  73   6.899   0.236   0.758
  609   3HD1  LEU  73          HD13      LEU  73   6.206  -1.317   0.292
  610   1HD2  LEU  73          HD21      LEU  73   8.404  -3.385   2.394
  611   2HD2  LEU  73          HD22      LEU  73   8.657  -3.072   0.676
  612   3HD2  LEU  73          HD23      LEU  73   7.034  -3.405   1.284
  613    HA   PRO  74           HA       PRO  74  13.488   0.290   4.560
  614   1HB   PRO  74          HB2       PRO  74  15.072  -2.026   3.783
  615   2HB   PRO  74          HB1       PRO  74  14.856  -1.322   5.385
  616   1HG   PRO  74          HG2       PRO  74  13.851  -3.749   4.684
  617   2HG   PRO  74          HG1       PRO  74  13.097  -2.701   5.899
  618   1HD   PRO  74          HD2       PRO  74  12.353  -3.113   3.024
  619   2HD   PRO  74          HD1       PRO  74  11.303  -2.966   4.451
  620    H    LYS  75           HN       LYS  75  14.028   1.765   3.072
  621    HA   LYS  75           HA       LYS  75  14.248   1.117   0.286
  622   1HB   LYS  75          HB2       LYS  75  13.415   3.310   1.000
  623   2HB   LYS  75          HB1       LYS  75  14.958   3.658   1.771
  624   1HG   LYS  75          HG2       LYS  75  16.059   3.537  -0.424
  625   2HG   LYS  75          HG1       LYS  75  14.491   3.254  -1.177
  626   1HD   LYS  75          HD2       LYS  75  13.708   5.425  -0.383
  627   2HD   LYS  75          HD1       LYS  75  15.260   5.701   0.412
  628   1HE   LYS  75          HE2       LYS  75  16.381   5.571  -1.773
  629   2HE   LYS  75          HE1       LYS  75  14.812   5.357  -2.550
  630   1HZ   LYS  75          HZ1       LYS  75  14.149   7.527  -1.779
  631   2HZ   LYS  75          HZ2       LYS  75  15.598   7.655  -2.651
  632   3HZ   LYS  75          HZ3       LYS  75  15.617   7.730  -0.955
  633    H    ASP  76           HN       ASP  76  15.991   0.460  -0.772
  634    HA   ASP  76           HA       ASP  76  18.597   0.683   0.585
  635   1HB   ASP  76          HB2       ASP  76  17.615  -1.638   0.125
  636   2HB   ASP  76          HB1       ASP  76  17.902  -1.306  -1.578
  637    H    SER  77           HN       SER  77  19.205   2.654  -0.219
  638    HA   SER  77           HA       SER  77  18.776   3.358  -2.965
  639   1HB   SER  77          HB2       SER  77  20.313   4.803  -0.794
  640   2HB   SER  77          HB1       SER  77  19.858   5.483  -2.358
  641    HG   SER  77           HG       SER  77  18.438   5.513  -0.158
  642    H    LEU  78           HN       LEU  78  19.959   2.173  -4.358
  643    HA   LEU  78           HA       LEU  78  22.874   2.074  -3.946
  644   1HB   LEU  78          HB2       LEU  78  21.141   0.320  -5.689
  645   2HB   LEU  78          HB1       LEU  78  22.874   0.159  -5.475
  646    HG   LEU  78           HG       LEU  78  20.796  -0.239  -3.319
  647   1HD1  LEU  78          HD11      LEU  78  22.516  -2.231  -4.792
  648   2HD1  LEU  78          HD12      LEU  78  20.781  -2.005  -5.010
  649   3HD1  LEU  78          HD13      LEU  78  21.406  -2.593  -3.470
  650   1HD2  LEU  78          HD21      LEU  78  22.664  -1.069  -1.976
  651   2HD2  LEU  78          HD22      LEU  78  22.894   0.622  -2.422
  652   3HD2  LEU  78          HD23      LEU  78  23.785  -0.644  -3.268
  653    H    GLU  79           HN       GLU  79  20.349   3.223  -5.996
  654    HA   GLU  79           HA       GLU  79  22.113   3.559  -8.299
  655   1HB   GLU  79          HB2       GLU  79  19.696   2.708  -8.396
  656   2HB   GLU  79          HB1       GLU  79  19.215   4.371  -8.093
  657   1HG   GLU  79          HG2       GLU  79  20.380   5.072 -10.127
  658   2HG   GLU  79          HG1       GLU  79  20.837   3.397 -10.436
  659    H    HIS  80           HN       HIS  80  22.773   5.076  -6.014
  660    HA   HIS  80           HA       HIS  80  22.619   7.753  -7.124
  661   1HB   HIS  80          HB2       HIS  80  20.700   7.122  -5.311
  662   2HB   HIS  80          HB1       HIS  80  21.982   7.649  -4.228
  663    HD1  HIS  80           HD1      HIS  80  21.586  10.007  -3.579
  664    HD2  HIS  80           HD2      HIS  80  20.520   9.282  -7.535
  665    HE1  HIS  80           HE1      HIS  80  20.810  12.216  -4.490
  666    HE2  HIS  80           HE2      HIS  80  19.897  11.677  -6.773
  667    H    HIS  81           HN       HIS  81  24.102   9.241  -5.941
  668    HA   HIS  81           HA       HIS  81  25.961   9.826  -4.785
  669   1HB   HIS  81          HB2       HIS  81  25.567   7.120  -3.564
  670   2HB   HIS  81          HB1       HIS  81  27.065   7.997  -3.284
  671    HD1  HIS  81           HD1      HIS  81  24.844   7.293  -1.108
  672    HD2  HIS  81           HD2      HIS  81  25.453  10.971  -2.955
  673    HE1  HIS  81           HE1      HIS  81  23.888   9.010   0.461
  674    HE2  HIS  81           HE2      HIS  81  24.474  11.231  -0.577
  675    H    HIS  82           HN       HIS  82  26.310   6.475  -5.952
  676    HA   HIS  82           HA       HIS  82  29.039   6.353  -6.015
  677   1HB   HIS  82          HB2       HIS  82  27.024   4.992  -7.786
  678   2HB   HIS  82          HB1       HIS  82  28.748   4.639  -7.871
  679    HD1  HIS  82           HD1      HIS  82  29.835   3.598  -5.674
  680    HD2  HIS  82           HD2      HIS  82  25.676   3.760  -5.735
  681    HE1  HIS  82           HE1      HIS  82  29.067   2.070  -3.834
  682    HE2  HIS  82           HE2      HIS  82  26.551   2.129  -3.924
  683    H    HIS  83           HN       HIS  83  27.147   6.964  -9.013
  684    HA   HIS  83           HA       HIS  83  29.372   8.663  -9.880
  685   1HB   HIS  83          HB2       HIS  83  29.735   7.525 -11.931
  686   2HB   HIS  83          HB1       HIS  83  29.747   6.291 -10.679
  687    HD1  HIS  83           HD1      HIS  83  28.315   7.059 -13.890
  688    HD2  HIS  83           HD2      HIS  83  27.140   4.856 -10.564
  689    HE1  HIS  83           HE1      HIS  83  26.491   5.524 -14.699
  690    HE2  HIS  83           HE2      HIS  83  26.001   4.024 -12.732
  691    H    HIS  84           HN       HIS  84  26.322   8.699  -9.251
  692    HA   HIS  84           HA       HIS  84  24.534   9.946  -9.882
  693   1HB   HIS  84          HB2       HIS  84  25.698  11.873 -10.430
  694   2HB   HIS  84          HB1       HIS  84  26.628  11.086 -11.695
  695    HD1  HIS  84           HD1      HIS  84  23.219  12.611 -11.070
  696    HD2  HIS  84           HD2      HIS  84  25.585  11.305 -14.232
  697    HE1  HIS  84           HE1      HIS  84  22.044  13.367 -13.159
  698    HE2  HIS  84           HE2      HIS  84  23.548  12.666 -15.054
  699    H    HIS  85           HN       HIS  85  22.738   9.639 -11.144
  700    HA   HIS  85           HA       HIS  85  23.032   7.637 -13.273
  701   1HB   HIS  85          HB2       HIS  85  21.492   7.153 -11.330
  702   2HB   HIS  85          HB1       HIS  85  20.483   8.487 -11.880
  703    HD1  HIS  85           HD1      HIS  85  19.135   8.133 -14.094
  704    HD2  HIS  85           HD2      HIS  85  21.319   4.820 -12.833
  705    HE1  HIS  85           HE1      HIS  85  18.265   6.189 -15.434
  706    HE2  HIS  85           HE2      HIS  85  19.681   4.218 -14.741
  Start of MODEL   15
    1   1H    MET   1          HT1       MET   1 -24.986  -4.409   8.115
    2   2H    MET   1          HT2       MET   1 -24.975  -3.296   9.392
    3   3H    MET   1          HT3       MET   1 -23.792  -4.506   9.314
    4    HA   MET   1           HA       MET   1 -24.140  -2.322   7.343
    5   1HB   MET   1          HB2       MET   1 -22.121  -2.706   9.563
    6   2HB   MET   1          HB1       MET   1 -21.905  -1.565   8.245
    7   1HG   MET   1          HG2       MET   1 -22.704  -0.368  10.129
    8   2HG   MET   1          HG1       MET   1 -24.011  -0.451   8.951
    9   1HE   MET   1          HE1       MET   1 -25.725   0.307  10.828
   10   2HE   MET   1          HE2       MET   1 -24.425   0.372  12.017
   11   3HE   MET   1          HE3       MET   1 -25.909  -0.511  12.380
   12    H    HIS   2           HN       HIS   2 -22.682  -2.364   5.622
   13    HA   HIS   2           HA       HIS   2 -21.034  -4.794   5.452
   14   1HB   HIS   2          HB2       HIS   2 -21.572  -5.118   3.144
   15   2HB   HIS   2          HB1       HIS   2 -23.077  -4.987   4.034
   16    HD1  HIS   2           HD1      HIS   2 -22.923  -4.594   1.003
   17    HD2  HIS   2           HD2      HIS   2 -22.793  -1.486   3.763
   18    HE1  HIS   2           HE1      HIS   2 -23.672  -2.544  -0.249
   19    HE2  HIS   2           HE2      HIS   2 -23.778  -0.723   1.487
   20    H    LYS   3           HN       LYS   3 -20.434  -2.123   6.303
   21    HA   LYS   3           HA       LYS   3 -18.572  -1.070   4.358
   22   1HB   LYS   3          HB2       LYS   3 -19.269  -0.430   7.216
   23   2HB   LYS   3          HB1       LYS   3 -17.840   0.258   6.469
   24   1HG   LYS   3          HG2       LYS   3 -20.501   0.549   5.149
   25   2HG   LYS   3          HG1       LYS   3 -20.051   1.597   6.495
   26   1HD   LYS   3          HD2       LYS   3 -17.922   2.101   5.202
   27   2HD   LYS   3          HD1       LYS   3 -18.690   1.307   3.824
   28   1HE   LYS   3          HE2       LYS   3 -20.480   2.902   3.827
   29   2HE   LYS   3          HE1       LYS   3 -19.905   3.615   5.333
   30   1HZ   LYS   3          HZ1       LYS   3 -18.480   3.669   2.720
   31   2HZ   LYS   3          HZ2       LYS   3 -17.896   4.328   4.170
   32   3HZ   LYS   3          HZ3       LYS   3 -19.285   4.972   3.451
   33    H    ASP   4           HN       ASP   4 -16.767  -2.223   3.956
   34    HA   ASP   4           HA       ASP   4 -15.466  -3.567   6.235
   35   1HB   ASP   4          HB2       ASP   4 -15.730  -4.453   3.362
   36   2HB   ASP   4          HB1       ASP   4 -14.524  -5.138   4.447
   37    H    ILE   5           HN       ILE   5 -13.316  -3.276   6.516
   38    HA   ILE   5           HA       ILE   5 -12.037  -1.043   5.370
   39    HB   ILE   5           HB       ILE   5 -10.933  -3.347   6.983
   40   1HG1  ILE   5          HG12      ILE   5 -12.514  -1.811   8.132
   41   2HG1  ILE   5          HG11      ILE   5 -10.895  -1.766   8.821
   42   1HG2  ILE   5          HG21      ILE   5  -9.520  -0.806   6.183
   43   2HG2  ILE   5          HG22      ILE   5  -9.156  -2.424   5.586
   44   3HG2  ILE   5          HG23      ILE   5  -8.897  -2.034   7.286
   45   1HD1  ILE   5          HD11      ILE   5 -12.103   0.265   6.957
   46   2HD1  ILE   5          HD12      ILE   5 -10.450   0.302   7.569
   47   3HD1  ILE   5          HD13      ILE   5 -11.808   0.459   8.685
   48    H    PHE   6           HN       PHE   6 -11.103  -0.855   3.454
   49    HA   PHE   6           HA       PHE   6 -10.613  -3.131   1.778
   50   1HB   PHE   6          HB2       PHE   6 -11.369  -0.971   0.847
   51   2HB   PHE   6          HB1       PHE   6  -9.876  -0.215   1.390
   52    HD1  PHE   6           HD2      PHE   6 -11.251  -2.779  -0.902
   53    HD2  PHE   6           HD1      PHE   6  -7.939  -0.285   0.063
   54    HE1  PHE   6           HE2      PHE   6 -10.191  -3.359  -3.046
   55    HE2  PHE   6           HE1      PHE   6  -6.878  -0.861  -2.080
   56    HZ   PHE   6           HZ       PHE   6  -8.003  -2.401  -3.636
   57    H    THR   7           HN       THR   7  -9.026  -4.414   2.493
   58    HA   THR   7           HA       THR   7  -6.352  -3.221   2.729
   59    HB   THR   7           HB       THR   7  -6.964  -3.905   4.951
   60    HG1  THR   7           HG1      THR   7  -5.475  -6.148   4.458
   61   1HG2  THR   7          HG21      THR   7  -7.639  -6.191   5.508
   62   2HG2  THR   7          HG22      THR   7  -7.636  -6.613   3.797
   63   3HG2  THR   7          HG23      THR   7  -8.793  -5.431   4.411
   64    H    SER   8           HN       SER   8  -4.863  -4.067   1.383
   65    HA   SER   8           HA       SER   8  -5.218  -6.684   0.201
   66   1HB   SER   8          HB2       SER   8  -5.403  -4.186  -1.509
   67   2HB   SER   8          HB1       SER   8  -5.304  -5.837  -2.123
   68    HG   SER   8           HG       SER   8  -7.279  -5.705  -0.331
   69    H    VAL   9           HN       VAL   9  -3.457  -7.046  -1.508
   70    HA   VAL   9           HA       VAL   9  -1.002  -5.633  -0.697
   71    HB   VAL   9           HB       VAL   9  -1.232  -8.412  -1.878
   72   1HG1  VAL   9          HG11      VAL   9   1.135  -8.613  -1.254
   73   2HG1  VAL   9          HG12      VAL   9   1.131  -6.924  -0.745
   74   3HG1  VAL   9          HG13      VAL   9   0.864  -7.337  -2.439
   75   1HG2  VAL   9          HG21      VAL   9  -2.141  -8.400   0.368
   76   2HG2  VAL   9          HG22      VAL   9  -0.712  -7.558   0.969
   77   3HG2  VAL   9          HG23      VAL   9  -0.572  -9.208   0.362
   78    H    VAL  10           HN       VAL  10  -0.243  -4.286  -2.207
   79    HA   VAL  10           HA       VAL  10  -1.133  -4.704  -4.978
   80    HB   VAL  10           HB       VAL  10  -1.883  -2.604  -3.936
   81   1HG1  VAL  10          HG11      VAL  10  -0.042  -2.207  -2.411
   82   2HG1  VAL  10          HG12      VAL  10  -0.307  -0.809  -3.454
   83   3HG1  VAL  10          HG13      VAL  10   1.040  -1.904  -3.770
   84   1HG2  VAL  10          HG21      VAL  10  -1.158  -1.068  -5.714
   85   2HG2  VAL  10          HG22      VAL  10  -1.609  -2.655  -6.338
   86   3HG2  VAL  10          HG23      VAL  10   0.093  -2.220  -6.180
   87    H    ARG  11           HN       ARG  11   0.371  -4.135  -6.692
   88    HA   ARG  11           HA       ARG  11   2.876  -5.435  -6.274
   89   1HB   ARG  11          HB2       ARG  11   1.499  -5.573  -8.370
   90   2HB   ARG  11          HB1       ARG  11   1.943  -3.906  -8.709
   91   1HG   ARG  11          HG2       ARG  11   3.388  -5.236  -9.995
   92   2HG   ARG  11          HG1       ARG  11   4.351  -4.668  -8.630
   93   1HD   ARG  11          HD2       ARG  11   3.952  -6.803  -7.486
   94   2HD   ARG  11          HD1       ARG  11   3.032  -7.368  -8.877
   95    HE   ARG  11           HE       ARG  11   5.929  -6.822  -8.856
   96   1HH1  ARG  11          HH11      ARG  11   3.118  -8.401 -10.216
   97   2HH1  ARG  11          HH12      ARG  11   4.033  -9.362 -11.343
   98   1HH2  ARG  11          HH21      ARG  11   7.155  -8.078 -10.342
   99   2HH2  ARG  11          HH22      ARG  11   6.324  -9.152 -11.429
  100    H    VAL  12           HN       VAL  12   4.330  -4.333  -5.072
  101    HA   VAL  12           HA       VAL  12   4.777  -1.505  -5.505
  102    HB   VAL  12           HB       VAL  12   4.901  -2.394  -3.216
  103   1HG1  VAL  12          HG11      VAL  12   5.752  -4.615  -3.685
  104   2HG1  VAL  12          HG12      VAL  12   6.770  -3.791  -2.504
  105   3HG1  VAL  12          HG13      VAL  12   7.300  -3.931  -4.180
  106   1HG2  VAL  12          HG21      VAL  12   7.522  -1.362  -4.262
  107   2HG2  VAL  12          HG22      VAL  12   7.069  -1.426  -2.561
  108   3HG2  VAL  12          HG23      VAL  12   6.162  -0.403  -3.677
  109    H    ARG  13           HN       ARG  13   6.422  -0.621  -6.646
  110    HA   ARG  13           HA       ARG  13   8.379  -2.471  -7.847
  111   1HB   ARG  13          HB2       ARG  13   6.739  -0.336  -9.198
  112   2HB   ARG  13          HB1       ARG  13   8.237  -0.938  -9.899
  113   1HG   ARG  13          HG2       ARG  13   7.367  -3.111 -10.155
  114   2HG   ARG  13          HG1       ARG  13   5.986  -2.761  -9.115
  115   1HD   ARG  13          HD2       ARG  13   5.334  -2.814 -11.460
  116   2HD   ARG  13          HD1       ARG  13   5.116  -1.208 -10.770
  117    HE   ARG  13           HE       ARG  13   7.637  -1.289 -11.974
  118   1HH1  ARG  13          HH11      ARG  13   4.290  -1.579 -12.907
  119   2HH1  ARG  13          HH12      ARG  13   4.501  -0.813 -14.451
  120   1HH2  ARG  13          HH21      ARG  13   7.953  -0.311 -14.036
  121   2HH2  ARG  13          HH22      ARG  13   6.585  -0.076 -15.091
  122    H    GLY  14           HN       GLY  14  10.110  -0.948  -9.068
  123   1HA   GLY  14          HA2       GLY  14  11.527   0.937  -8.893
  124   2HA   GLY  14          HA1       GLY  14  10.749   1.355  -7.374
  125    H    SER  15           HN       SER  15  13.159   1.639  -6.928
  126    HA   SER  15           HA       SER  15  14.729  -0.715  -6.582
  127   1HB   SER  15          HB2       SER  15  16.235   0.964  -5.323
  128   2HB   SER  15          HB1       SER  15  15.965   1.215  -7.048
  129    HG   SER  15           HG       SER  15  15.376   2.841  -4.982
  130    H    LYS  16           HN       LYS  16  13.855  -2.147  -5.187
  131    HA   LYS  16           HA       LYS  16  14.379  -1.719  -2.436
  132   1HB   LYS  16          HB2       LYS  16  11.963  -2.401  -1.747
  133   2HB   LYS  16          HB1       LYS  16  12.327  -0.718  -2.073
  134   1HG   LYS  16          HG2       LYS  16  10.160  -1.496  -2.990
  135   2HG   LYS  16          HG1       LYS  16  11.250  -0.822  -4.201
  136   1HD   LYS  16          HD2       LYS  16  11.793  -2.978  -5.032
  137   2HD   LYS  16          HD1       LYS  16  11.012  -3.774  -3.664
  138   1HE   LYS  16          HE2       LYS  16   8.867  -3.181  -4.411
  139   2HE   LYS  16          HE1       LYS  16   9.506  -2.026  -5.587
  140   1HZ   LYS  16          HZ1       LYS  16  10.361  -3.828  -6.894
  141   2HZ   LYS  16          HZ2       LYS  16   8.725  -4.139  -6.570
  142   3HZ   LYS  16          HZ3       LYS  16   9.932  -4.963  -5.711
  143    H    LYS  17           HN       LYS  17  13.379  -3.741  -1.164
  144    HA   LYS  17           HA       LYS  17  14.487  -6.022  -2.565
  145   1HB   LYS  17          HB2       LYS  17  15.119  -5.494  -0.226
  146   2HB   LYS  17          HB1       LYS  17  13.459  -5.788   0.267
  147   1HG   LYS  17          HG2       LYS  17  14.766  -7.714   0.798
  148   2HG   LYS  17          HG1       LYS  17  13.689  -8.123  -0.538
  149   1HD   LYS  17          HD2       LYS  17  15.556  -7.728  -2.112
  150   2HD   LYS  17          HD1       LYS  17  16.620  -7.428  -0.737
  151   1HE   LYS  17          HE2       LYS  17  16.935  -9.693  -1.456
  152   2HE   LYS  17          HE1       LYS  17  16.093  -9.715   0.093
  153   1HZ   LYS  17          HZ1       LYS  17  14.838 -10.057  -2.580
  154   2HZ   LYS  17          HZ2       LYS  17  14.005 -10.047  -1.104
  155   3HZ   LYS  17          HZ3       LYS  17  15.112 -11.285  -1.442
  156    H    TYR  18           HN       TYR  18  11.364  -4.839  -1.629
  157    HA   TYR  18           HA       TYR  18  10.073  -7.407  -1.669
  158   1HB   TYR  18          HB2       TYR  18   8.957  -4.613  -1.510
  159   2HB   TYR  18          HB1       TYR  18   7.975  -6.071  -1.429
  160    HD1  TYR  18           HD2      TYR  18   8.552  -7.754   0.452
  161    HD2  TYR  18           HD1      TYR  18   9.848  -3.703   0.425
  162    HE1  TYR  18           HE2      TYR  18   8.908  -7.858   2.882
  163    HE2  TYR  18           HE1      TYR  18  10.206  -3.796   2.851
  164    HH   TYR  18           HH       TYR  18  10.390  -6.605   4.577
  165    H    ASN  19           HN       ASN  19   8.104  -7.758  -3.015
  166    HA   ASN  19           HA       ASN  19   8.271  -6.438  -5.655
  167   1HB   ASN  19          HB2       ASN  19   8.969  -8.851  -5.686
  168   2HB   ASN  19          HB1       ASN  19   7.347  -9.276  -5.146
  169   1HD2  ASN  19          HD21      ASN  19   6.786 -10.415  -6.939
  170   2HD2  ASN  19          HD22      ASN  19   6.557  -9.688  -8.495
  171    H    VAL  20           HN       VAL  20   6.453  -7.073  -2.909
  172    HA   VAL  20           HA       VAL  20   4.039  -5.944  -4.031
  173    HB   VAL  20           HB       VAL  20   2.615  -7.716  -2.925
  174   1HG1  VAL  20          HG11      VAL  20   2.839  -7.656  -5.340
  175   2HG1  VAL  20          HG12      VAL  20   2.786  -9.327  -4.775
  176   3HG1  VAL  20          HG13      VAL  20   4.324  -8.603  -5.247
  177   1HG2  VAL  20          HG21      VAL  20   5.196  -9.280  -2.923
  178   2HG2  VAL  20          HG22      VAL  20   3.597  -9.918  -2.535
  179   3HG2  VAL  20          HG23      VAL  20   4.337  -8.698  -1.497
  180    H    VAL  21           HN       VAL  21   2.728  -4.979  -2.385
  181    HA   VAL  21           HA       VAL  21   3.831  -5.098   0.321
  182    HB   VAL  21           HB       VAL  21   4.937  -3.223  -0.895
  183   1HG1  VAL  21          HG11      VAL  21   2.180  -2.015  -0.944
  184   2HG1  VAL  21          HG12      VAL  21   3.117  -2.542  -2.343
  185   3HG1  VAL  21          HG13      VAL  21   3.678  -1.185  -1.364
  186   1HG2  VAL  21          HG21      VAL  21   4.778  -3.188   1.514
  187   2HG2  VAL  21          HG22      VAL  21   3.183  -2.443   1.423
  188   3HG2  VAL  21          HG23      VAL  21   4.603  -1.555   0.870
  189    HA   PRO  22           HA       PRO  22  -0.527  -5.071   1.238
  190   1HB   PRO  22          HB2       PRO  22  -0.339  -5.079   3.927
  191   2HB   PRO  22          HB1       PRO  22   0.024  -6.507   2.952
  192   1HG   PRO  22          HG2       PRO  22   1.899  -4.528   4.184
  193   2HG   PRO  22          HG1       PRO  22   2.029  -6.294   4.107
  194   1HD   PRO  22          HD2       PRO  22   3.363  -4.612   2.421
  195   2HD   PRO  22          HD1       PRO  22   2.881  -6.261   1.977
  196    H    VAL  23           HN       VAL  23  -2.016  -3.547   1.558
  197    HA   VAL  23           HA       VAL  23  -1.299  -1.027   2.873
  198    HB   VAL  23           HB       VAL  23  -2.479   0.269   1.162
  199   1HG1  VAL  23          HG11      VAL  23  -0.865   0.064  -0.671
  200   2HG1  VAL  23          HG12      VAL  23  -0.327  -1.481  -0.014
  201   3HG1  VAL  23          HG13      VAL  23  -0.079   0.004   0.907
  202   1HG2  VAL  23          HG21      VAL  23  -4.058  -1.396   0.380
  203   2HG2  VAL  23          HG22      VAL  23  -2.747  -2.352  -0.308
  204   3HG2  VAL  23          HG23      VAL  23  -3.128  -0.767  -0.981
  205    H    LYS  24           HN       LYS  24  -3.183   0.164   3.633
  206    HA   LYS  24           HA       LYS  24  -5.669  -1.367   3.749
  207   1HB   LYS  24          HB2       LYS  24  -5.787  -1.052   6.222
  208   2HB   LYS  24          HB1       LYS  24  -4.505  -2.140   5.707
  209   1HG   LYS  24          HG2       LYS  24  -2.940  -0.156   5.869
  210   2HG   LYS  24          HG1       LYS  24  -4.256   0.684   6.691
  211   1HD   LYS  24          HD2       LYS  24  -3.056  -1.938   7.576
  212   2HD   LYS  24          HD1       LYS  24  -2.649  -0.361   8.253
  213   1HE   LYS  24          HE2       LYS  24  -4.946  -0.065   8.992
  214   2HE   LYS  24          HE1       LYS  24  -5.397  -1.605   8.260
  215   1HZ   LYS  24          HZ1       LYS  24  -5.028  -1.787  10.658
  216   2HZ   LYS  24          HZ2       LYS  24  -3.422  -1.283  10.457
  217   3HZ   LYS  24          HZ3       LYS  24  -3.939  -2.748   9.782
  218    H    SER  25           HN       SER  25  -7.423  -0.070   4.812
  219    HA   SER  25           HA       SER  25  -7.131   2.746   4.028
  220   1HB   SER  25          HB2       SER  25  -9.738   2.529   3.966
  221   2HB   SER  25          HB1       SER  25  -8.776   1.879   2.637
  222    HG   SER  25           HG       SER  25  -8.999  -0.163   3.488
  223    H    ASN  26           HN       ASN  26  -7.770   4.354   5.379
  224    HA   ASN  26           HA       ASN  26  -7.876   3.717   8.184
  225   1HB   ASN  26          HB2       ASN  26  -7.788   6.082   8.564
  226   2HB   ASN  26          HB1       ASN  26  -6.700   5.727   7.227
  227   1HD2  ASN  26          HD21      ASN  26  -8.035   8.217   7.955
  228   2HD2  ASN  26          HD22      ASN  26  -8.943   8.697   6.560
  229    H    LYS  27           HN       LYS  27 -10.197   3.794   5.815
  230    HA   LYS  27           HA       LYS  27 -12.340   4.236   7.760
  231   1HB   LYS  27          HB2       LYS  27 -11.644   6.187   5.971
  232   2HB   LYS  27          HB1       LYS  27 -12.866   5.309   5.067
  233   1HG   LYS  27          HG2       LYS  27 -13.927   7.103   6.209
  234   2HG   LYS  27          HG1       LYS  27 -14.413   5.595   6.987
  235   1HD   LYS  27          HD2       LYS  27 -13.900   7.328   8.636
  236   2HD   LYS  27          HD1       LYS  27 -12.777   5.973   8.758
  237   1HE   LYS  27          HE2       LYS  27 -11.657   8.160   8.948
  238   2HE   LYS  27          HE1       LYS  27 -11.083   7.220   7.572
  239   1HZ   LYS  27          HZ1       LYS  27 -11.558   9.673   7.201
  240   2HZ   LYS  27          HZ2       LYS  27 -13.202   9.265   7.276
  241   3HZ   LYS  27          HZ3       LYS  27 -12.212   8.587   6.078
  242    HA   PRO  28           HA       PRO  28 -13.846   0.431   5.982
  243   1HB   PRO  28          HB2       PRO  28 -16.474   1.542   6.827
  244   2HB   PRO  28          HB1       PRO  28 -15.745  -0.028   7.191
  245   1HG   PRO  28          HG2       PRO  28 -15.838   1.867   9.048
  246   2HG   PRO  28          HG1       PRO  28 -14.397   0.846   8.875
  247   1HD   PRO  28          HD2       PRO  28 -14.844   3.666   7.971
  248   2HD   PRO  28          HD1       PRO  28 -13.398   2.931   8.693
  249    H    VAL  29           HN       VAL  29 -14.575  -0.137   3.998
  250    HA   VAL  29           HA       VAL  29 -15.716   2.029   2.346
  251    HB   VAL  29           HB       VAL  29 -14.134  -0.291   1.264
  252   1HG1  VAL  29          HG11      VAL  29 -14.653   2.480   0.200
  253   2HG1  VAL  29          HG12      VAL  29 -15.446   0.996  -0.331
  254   3HG1  VAL  29          HG13      VAL  29 -13.718   1.221  -0.607
  255   1HG2  VAL  29          HG21      VAL  29 -12.698   0.757   2.908
  256   2HG2  VAL  29          HG22      VAL  29 -13.016   2.347   2.205
  257   3HG2  VAL  29          HG23      VAL  29 -12.131   1.135   1.278
  258    H    GLU  30           HN       GLU  30 -17.444   1.549   0.992
  259    HA   GLU  30           HA       GLU  30 -18.949  -0.834   1.466
  260   1HB   GLU  30          HB2       GLU  30 -19.272   1.020  -0.898
  261   2HB   GLU  30          HB1       GLU  30 -20.483  -0.040  -0.196
  262   1HG   GLU  30          HG2       GLU  30 -21.191   1.915   0.676
  263   2HG   GLU  30          HG1       GLU  30 -20.026   1.484   1.926
  264    H    ILE  31           HN       ILE  31 -18.957  -2.734   0.333
  265    HA   ILE  31           HA       ILE  31 -16.711  -3.340  -1.271
  266    HB   ILE  31           HB       ILE  31 -17.766  -5.518  -1.685
  267   1HG1  ILE  31          HG12      ILE  31 -20.110  -4.432  -0.109
  268   2HG1  ILE  31          HG11      ILE  31 -20.111  -4.682  -1.852
  269   1HG2  ILE  31          HG21      ILE  31 -17.869  -6.246   0.664
  270   2HG2  ILE  31          HG22      ILE  31 -17.932  -4.557   1.167
  271   3HG2  ILE  31          HG23      ILE  31 -16.500  -5.179   0.350
  272   1HD1  ILE  31          HD11      ILE  31 -21.225  -6.497  -0.685
  273   2HD1  ILE  31          HD12      ILE  31 -19.754  -6.821   0.232
  274   3HD1  ILE  31          HD13      ILE  31 -19.777  -7.067  -1.514
  275    H    SER  32           HN       SER  32 -19.580  -1.775  -2.078
  276    HA   SER  32           HA       SER  32 -19.878  -2.580  -4.775
  277   1HB   SER  32          HB2       SER  32 -20.532   0.117  -3.560
  278   2HB   SER  32          HB1       SER  32 -21.241  -0.593  -5.013
  279    HG   SER  32           HG       SER  32 -21.981  -2.331  -3.591
  280    H    LYS  33           HN       LYS  33 -17.777  -0.354  -3.118
  281    HA   LYS  33           HA       LYS  33 -16.777   0.846  -5.566
  282   1HB   LYS  33          HB2       LYS  33 -15.995   1.162  -2.662
  283   2HB   LYS  33          HB1       LYS  33 -15.233   2.035  -3.982
  284   1HG   LYS  33          HG2       LYS  33 -17.244   3.203  -4.477
  285   2HG   LYS  33          HG1       LYS  33 -18.173   2.181  -3.377
  286   1HD   LYS  33          HD2       LYS  33 -17.023   3.086  -1.473
  287   2HD   LYS  33          HD1       LYS  33 -15.915   3.983  -2.513
  288   1HE   LYS  33          HE2       LYS  33 -17.635   5.438  -3.243
  289   2HE   LYS  33          HE1       LYS  33 -18.889   4.417  -2.544
  290   1HZ   LYS  33          HZ1       LYS  33 -16.831   5.840  -0.943
  291   2HZ   LYS  33          HZ2       LYS  33 -18.187   5.007  -0.361
  292   3HZ   LYS  33          HZ3       LYS  33 -18.387   6.443  -1.238
  293    H    TRP  34           HN       TRP  34 -16.150  -1.876  -3.661
  294    HA   TRP  34           HA       TRP  34 -13.410  -2.105  -3.533
  295   1HB   TRP  34          HB2       TRP  34 -14.901  -3.633  -2.377
  296   2HB   TRP  34          HB1       TRP  34 -15.472  -4.285  -3.908
  297    HD1  TRP  34           HD1      TRP  34 -12.254  -4.176  -1.773
  298    HE1  TRP  34           HE1      TRP  34 -10.870  -6.278  -2.305
  299    HE3  TRP  34           HE3      TRP  34 -15.137  -6.119  -5.523
  300    HZ2  TRP  34           HZ2      TRP  34 -10.987  -8.474  -4.073
  301    HZ3  TRP  34           HZ3      TRP  34 -14.430  -8.226  -6.582
  302    HH2  TRP  34           HH2      TRP  34 -12.395  -9.379  -5.870
  303    H    ILE  35           HN       ILE  35 -15.530  -3.107  -6.205
  304    HA   ILE  35           HA       ILE  35 -13.543  -4.400  -7.702
  305    HB   ILE  35           HB       ILE  35 -15.844  -4.820  -8.223
  306   1HG1  ILE  35          HG12      ILE  35 -14.567  -3.339 -10.533
  307   2HG1  ILE  35          HG11      ILE  35 -14.192  -4.995 -10.065
  308   1HG2  ILE  35          HG21      ILE  35 -17.314  -3.146  -9.234
  309   2HG2  ILE  35          HG22      ILE  35 -16.055  -1.925  -9.045
  310   3HG2  ILE  35          HG23      ILE  35 -16.792  -2.662  -7.620
  311   1HD1  ILE  35          HD11      ILE  35 -15.689  -4.967 -11.956
  312   2HD1  ILE  35          HD12      ILE  35 -16.840  -3.974 -11.062
  313   3HD1  ILE  35          HD13      ILE  35 -16.515  -5.630 -10.544
  314    H    ASP  36           HN       ASP  36 -14.656  -1.022  -7.792
  315    HA   ASP  36           HA       ASP  36 -12.892  -0.403  -9.985
  316   1HB   ASP  36          HB2       ASP  36 -15.165   0.713  -9.464
  317   2HB   ASP  36          HB1       ASP  36 -14.271   1.653  -8.273
  318    H    PHE  37           HN       PHE  37 -12.914  -0.028  -6.490
  319    HA   PHE  37           HA       PHE  37 -10.618   1.507  -6.123
  320   1HB   PHE  37          HB2       PHE  37 -12.150  -0.433  -4.541
  321   2HB   PHE  37          HB1       PHE  37 -10.442  -0.392  -4.126
  322    HD1  PHE  37           HD1      PHE  37 -13.520   1.625  -4.336
  323    HD2  PHE  37           HD2      PHE  37  -9.511   1.420  -2.929
  324    HE1  PHE  37           HE1      PHE  37 -13.912   3.616  -2.942
  325    HE2  PHE  37           HE2      PHE  37  -9.893   3.408  -1.534
  326    HZ   PHE  37           HZ       PHE  37 -12.097   4.509  -1.539
  327    H    SER  38           HN       SER  38 -10.944  -2.001  -6.478
  328    HA   SER  38           HA       SER  38  -8.218  -2.634  -6.414
  329   1HB   SER  38          HB2       SER  38 -10.416  -4.072  -7.924
  330   2HB   SER  38          HB1       SER  38  -8.866  -4.755  -7.433
  331    HG   SER  38           HG       SER  38 -11.010  -3.917  -5.773
  332    H    ASN  39           HN       ASN  39 -10.372  -1.859  -9.120
  333    HA   ASN  39           HA       ASN  39  -8.592  -2.253 -11.228
  334   1HB   ASN  39          HB2       ASN  39 -11.014  -0.544 -10.846
  335   2HB   ASN  39          HB1       ASN  39 -10.044  -0.344 -12.301
  336   1HD2  ASN  39          HD21      ASN  39 -11.804  -1.049 -13.531
  337   2HD2  ASN  39          HD22      ASN  39 -12.222  -2.726 -13.639
  338    H    VAL  40           HN       VAL  40  -9.223   0.714  -9.363
  339    HA   VAL  40           HA       VAL  40  -7.371   2.321 -10.767
  340    HB   VAL  40           HB       VAL  40  -8.377   2.619  -7.928
  341   1HG1  VAL  40          HG11      VAL  40  -6.343   3.901  -8.231
  342   2HG1  VAL  40          HG12      VAL  40  -7.730   4.990  -8.170
  343   3HG1  VAL  40          HG13      VAL  40  -6.975   4.605  -9.719
  344   1HG2  VAL  40          HG21      VAL  40 -10.171   2.635  -9.570
  345   2HG2  VAL  40          HG22      VAL  40  -9.325   3.866 -10.507
  346   3HG2  VAL  40          HG23      VAL  40  -9.934   4.248  -8.897
  347    H    LEU  41           HN       LEU  41  -7.081   0.431  -7.771
  348    HA   LEU  41           HA       LEU  41  -4.425   1.214  -7.200
  349   1HB   LEU  41          HB2       LEU  41  -6.144   0.090  -5.661
  350   2HB   LEU  41          HB1       LEU  41  -5.629  -1.418  -6.389
  351    HG   LEU  41           HG       LEU  41  -3.299  -0.909  -5.631
  352   1HD1  LEU  41          HD11      LEU  41  -3.477   1.493  -5.417
  353   2HD1  LEU  41          HD12      LEU  41  -3.024   0.779  -3.869
  354   3HD1  LEU  41          HD13      LEU  41  -4.683   1.314  -4.141
  355   1HD2  LEU  41          HD21      LEU  41  -5.413  -1.077  -3.487
  356   2HD2  LEU  41          HD22      LEU  41  -3.713  -1.508  -3.297
  357   3HD2  LEU  41          HD23      LEU  41  -4.742  -2.433  -4.391
  358    H    SER  42           HN       SER  42  -5.774  -1.322  -9.215
  359    HA   SER  42           HA       SER  42  -3.395  -2.815  -9.583
  360   1HB   SER  42          HB2       SER  42  -5.799  -2.542 -11.408
  361   2HB   SER  42          HB1       SER  42  -4.544  -3.770 -11.558
  362    HG   SER  42           HG       SER  42  -6.151  -3.413  -9.243
  363    H    ARG  43           HN       ARG  43  -4.460   0.197 -10.826
  364    HA   ARG  43           HA       ARG  43  -2.410   0.134 -12.928
  365   1HB   ARG  43          HB2       ARG  43  -4.811   1.910 -12.511
  366   2HB   ARG  43          HB1       ARG  43  -3.562   2.259 -13.698
  367   1HG   ARG  43          HG2       ARG  43  -4.037   0.220 -14.874
  368   2HG   ARG  43          HG1       ARG  43  -5.189  -0.271 -13.632
  369   1HD   ARG  43          HD2       ARG  43  -5.476   2.251 -15.247
  370   2HD   ARG  43          HD1       ARG  43  -6.180   0.710 -15.732
  371    HE   ARG  43           HE       ARG  43  -7.330   0.829 -13.460
  372   1HH1  ARG  43          HH11      ARG  43  -6.482   3.639 -15.368
  373   2HH1  ARG  43          HH12      ARG  43  -7.796   4.604 -14.770
  374   1HH2  ARG  43          HH21      ARG  43  -9.080   2.090 -12.680
  375   2HH2  ARG  43          HH22      ARG  43  -9.275   3.728 -13.229
  376    H    LEU  44           HN       LEU  44  -2.442   0.762  -9.837
  377    HA   LEU  44           HA       LEU  44  -0.918   3.269 -10.041
  378   1HB   LEU  44          HB2       LEU  44  -2.935   3.300  -8.576
  379   2HB   LEU  44          HB1       LEU  44  -2.199   2.052  -7.590
  380    HG   LEU  44           HG       LEU  44  -0.340   3.618  -7.068
  381   1HD1  LEU  44          HD11      LEU  44  -0.472   5.041  -9.028
  382   2HD1  LEU  44          HD12      LEU  44  -0.641   5.999  -7.557
  383   3HD1  LEU  44          HD13      LEU  44  -2.062   5.613  -8.527
  384   1HD2  LEU  44          HD21      LEU  44  -1.628   5.017  -5.531
  385   2HD2  LEU  44          HD22      LEU  44  -2.217   3.355  -5.539
  386   3HD2  LEU  44          HD23      LEU  44  -3.107   4.611  -6.401
  387    H    TYR  45           HN       TYR  45   0.979   2.171 -10.707
  388    HA   TYR  45           HA       TYR  45   2.138   0.270  -8.826
  389   1HB   TYR  45          HB2       TYR  45   3.030   1.191 -11.562
  390   2HB   TYR  45          HB1       TYR  45   3.937   0.058 -10.565
  391    HD1  TYR  45           HD1      TYR  45   2.676  -2.073  -9.806
  392    HD2  TYR  45           HD2      TYR  45   1.410   0.389 -13.038
  393    HE1  TYR  45           HE1      TYR  45   1.362  -3.943 -10.704
  394    HE2  TYR  45           HE2      TYR  45   0.086  -1.476 -13.947
  395    HH   TYR  45           HH       TYR  45  -0.598  -4.274 -12.171
  396    H    VAL  46           HN       VAL  46   2.928   1.271  -7.114
  397    HA   VAL  46           HA       VAL  46   4.799   3.511  -7.526
  398    HB   VAL  46           HB       VAL  46   3.081   3.095  -5.066
  399   1HG1  VAL  46          HG11      VAL  46   3.680   5.412  -4.550
  400   2HG1  VAL  46          HG12      VAL  46   4.688   5.472  -5.996
  401   3HG1  VAL  46          HG13      VAL  46   5.107   4.383  -4.673
  402   1HG2  VAL  46          HG21      VAL  46   1.685   4.947  -5.872
  403   2HG2  VAL  46          HG22      VAL  46   1.614   3.548  -6.944
  404   3HG2  VAL  46          HG23      VAL  46   2.585   4.953  -7.389
  405    H    GLY  47           HN       GLY  47   6.528   3.619  -5.891
  406   1HA   GLY  47          HA2       GLY  47   6.910   1.180  -4.320
  407   2HA   GLY  47          HA1       GLY  47   8.146   1.600  -5.494
  408    H    VAL  48           HN       VAL  48   9.832   2.223  -4.358
  409    HA   VAL  48           HA       VAL  48  11.195   3.462  -3.036
  410    HB   VAL  48           HB       VAL  48   8.792   5.236  -2.539
  411   1HG1  VAL  48          HG11      VAL  48  10.450   6.912  -1.842
  412   2HG1  VAL  48          HG12      VAL  48  11.728   5.710  -2.023
  413   3HG1  VAL  48          HG13      VAL  48  10.473   5.487  -0.802
  414   1HG2  VAL  48          HG21      VAL  48  11.069   5.538  -4.501
  415   2HG2  VAL  48          HG22      VAL  48   9.792   6.722  -4.213
  416   3HG2  VAL  48          HG23      VAL  48   9.398   5.146  -4.904
  417    HA   PRO  49           HA       PRO  49  10.378   1.042   0.644
  418   1HB   PRO  49          HB2       PRO  49  12.881   2.463   1.431
  419   2HB   PRO  49          HB1       PRO  49  12.484   0.742   1.530
  420   1HG   PRO  49          HG2       PRO  49  14.097   1.615  -0.379
  421   2HG   PRO  49          HG1       PRO  49  12.860   0.396  -0.746
  422   1HD   PRO  49          HD2       PRO  49  12.867   3.329  -1.340
  423   2HD   PRO  49          HD1       PRO  49  12.295   1.977  -2.340
  424    H    THR  50           HN       THR  50   8.779   1.799   1.863
  425    HA   THR  50           HA       THR  50   9.026   4.457   3.076
  426    HB   THR  50           HB       THR  50   6.477   4.066   3.407
  427    HG1  THR  50           HG1      THR  50   6.307   2.663   1.113
  428   1HG2  THR  50          HG21      THR  50   7.437   5.756   1.912
  429   2HG2  THR  50          HG22      THR  50   6.019   4.998   1.185
  430   3HG2  THR  50          HG23      THR  50   7.637   4.535   0.655
  431    H    LYS  51           HN       LYS  51   7.173   4.347   5.028
  432    HA   LYS  51           HA       LYS  51   8.069   2.215   6.847
  433   1HB   LYS  51          HB2       LYS  51   7.765   5.165   7.456
  434   2HB   LYS  51          HB1       LYS  51   8.012   3.925   8.679
  435   1HG   LYS  51          HG2       LYS  51  10.174   3.399   7.800
  436   2HG   LYS  51          HG1       LYS  51   9.923   4.468   6.419
  437   1HD   LYS  51          HD2       LYS  51   9.915   6.403   7.856
  438   2HD   LYS  51          HD1       LYS  51   9.983   5.381   9.295
  439   1HE   LYS  51          HE2       LYS  51  12.108   5.407   7.160
  440   2HE   LYS  51          HE1       LYS  51  12.170   6.410   8.610
  441   1HZ   LYS  51          HZ1       LYS  51  12.393   4.561   9.975
  442   2HZ   LYS  51          HZ2       LYS  51  13.382   4.181   8.645
  443   3HZ   LYS  51          HZ3       LYS  51  11.845   3.477   8.792
  444    H    SER  52           HN       SER  52   6.560   2.060   8.790
  445    HA   SER  52           HA       SER  52   3.958   1.534   7.864
  446   1HB   SER  52          HB2       SER  52   5.054   0.408   9.810
  447   2HB   SER  52          HB1       SER  52   4.826   1.886  10.743
  448    HG   SER  52           HG       SER  52   3.041   0.844  11.240
  449    H    GLY  53           HN       GLY  53   2.167   2.729   7.752
  450   1HA   GLY  53          HA2       GLY  53   0.657   4.404   8.425
  451   2HA   GLY  53          HA1       GLY  53   1.949   5.173   9.338
  452    H    ASN  54           HN       ASN  54   2.642   4.146   6.124
  453    HA   ASN  54           HA       ASN  54   2.885   6.954   5.353
  454   1HB   ASN  54          HB2       ASN  54   4.186   6.255   3.479
  455   2HB   ASN  54          HB1       ASN  54   4.741   5.325   4.861
  456   1HD2  ASN  54          HD21      ASN  54   4.442   3.121   4.897
  457   2HD2  ASN  54          HD22      ASN  54   3.925   2.230   3.504
  458    H    VAL  55           HN       VAL  55   1.563   7.982   3.984
  459    HA   VAL  55           HA       VAL  55  -0.817   6.556   3.127
  460    HB   VAL  55           HB       VAL  55  -0.149   9.481   2.743
  461   1HG1  VAL  55          HG11      VAL  55  -2.768   7.990   2.613
  462   2HG1  VAL  55          HG12      VAL  55  -1.887   8.680   1.249
  463   3HG1  VAL  55          HG13      VAL  55  -2.576   9.739   2.480
  464   1HG2  VAL  55          HG21      VAL  55  -1.728   8.164   4.950
  465   2HG2  VAL  55          HG22      VAL  55  -1.546   9.902   4.707
  466   3HG2  VAL  55          HG23      VAL  55  -0.140   8.916   5.116
  467    H    VAL  56           HN       VAL  56  -0.561   5.398   1.322
  468    HA   VAL  56           HA       VAL  56   1.248   6.055  -0.769
  469    HB   VAL  56           HB       VAL  56  -1.140   4.196  -0.880
  470   1HG1  VAL  56          HG11      VAL  56   1.341   4.316  -2.592
  471   2HG1  VAL  56          HG12      VAL  56  -0.286   4.789  -3.085
  472   3HG1  VAL  56          HG13      VAL  56   0.065   3.103  -2.706
  473   1HG2  VAL  56          HG21      VAL  56   0.452   2.403  -0.367
  474   2HG2  VAL  56          HG22      VAL  56   0.354   3.581   0.944
  475   3HG2  VAL  56          HG23      VAL  56   1.729   3.602  -0.160
  476    H    CYS  57           HN       CYS  57  -2.313   6.070  -0.631
  477    HA   CYS  57           HA       CYS  57  -2.264   8.384  -2.431
  478   1HB   CYS  57          HB2       CYS  57  -2.937   6.207  -3.585
  479   2HB   CYS  57          HB1       CYS  57  -4.387   6.246  -2.588
  480    HG   CYS  57           HG       CYS  57  -3.746   9.060  -4.321
  481    H    LYS  58           HN       LYS  58  -3.232  10.065  -1.554
  482    HA   LYS  58           HA       LYS  58  -4.755   9.660   0.901
  483   1HB   LYS  58          HB2       LYS  58  -2.850  11.239   0.868
  484   2HB   LYS  58          HB1       LYS  58  -3.686  12.202  -0.341
  485   1HG   LYS  58          HG2       LYS  58  -5.290  12.934   1.177
  486   2HG   LYS  58          HG1       LYS  58  -4.937  11.635   2.318
  487   1HD   LYS  58          HD2       LYS  58  -3.047  13.884   1.624
  488   2HD   LYS  58          HD1       LYS  58  -4.070  13.833   3.060
  489   1HE   LYS  58          HE2       LYS  58  -2.945  11.790   3.791
  490   2HE   LYS  58          HE1       LYS  58  -1.931  11.826   2.350
  491   1HZ   LYS  58          HZ1       LYS  58  -1.970  13.850   4.528
  492   2HZ   LYS  58          HZ2       LYS  58  -1.041  13.963   3.111
  493   3HZ   LYS  58          HZ3       LYS  58  -0.743  12.719   4.222
  494    H    ASN  59           HN       ASN  59  -6.866   9.509   0.774
  495    HA   ASN  59           HA       ASN  59  -8.999   9.572   0.017
  496   1HB   ASN  59          HB2       ASN  59  -8.596  12.046   0.524
  497   2HB   ASN  59          HB1       ASN  59  -8.361  12.259  -1.210
  498   1HD2  ASN  59          HD21      ASN  59 -10.175  13.633  -1.283
  499   2HD2  ASN  59          HD22      ASN  59 -11.785  13.005  -1.206
  500    H    ILE  60           HN       ILE  60  -7.726   7.953  -1.390
  501    HA   ILE  60           HA       ILE  60  -6.769   8.337  -3.897
  502    HB   ILE  60           HB       ILE  60  -6.468   6.248  -2.788
  503   1HG1  ILE  60          HG12      ILE  60  -8.124   5.776  -5.280
  504   2HG1  ILE  60          HG11      ILE  60  -6.416   6.195  -5.260
  505   1HG2  ILE  60          HG21      ILE  60  -8.277   4.626  -2.469
  506   2HG2  ILE  60          HG22      ILE  60  -9.434   5.809  -3.076
  507   3HG2  ILE  60          HG23      ILE  60  -8.560   6.121  -1.577
  508   1HD1  ILE  60          HD11      ILE  60  -5.901   4.100  -4.132
  509   2HD1  ILE  60          HD12      ILE  60  -6.765   3.810  -5.643
  510   3HD1  ILE  60          HD13      ILE  60  -7.614   3.685  -4.103
  511    H    MET  61           HN       MET  61 -10.204   7.780  -3.129
  512    HA   MET  61           HA       MET  61 -10.791   8.402  -5.942
  513   1HB   MET  61          HB2       MET  61 -12.077   6.243  -4.266
  514   2HB   MET  61          HB1       MET  61 -12.645   6.745  -5.853
  515   1HG   MET  61          HG2       MET  61 -10.488   6.083  -6.818
  516   2HG   MET  61          HG1       MET  61  -9.962   5.534  -5.227
  517   1HE   MET  61          HE1       MET  61 -12.490   5.018  -8.155
  518   2HE   MET  61          HE2       MET  61 -13.567   5.203  -6.770
  519   3HE   MET  61          HE3       MET  61 -13.439   3.646  -7.586
  520    H    ASN  62           HN       ASN  62 -10.823  10.065  -3.545
  521    HA   ASN  62           HA       ASN  62 -12.107  11.626  -2.494
  522   1HB   ASN  62          HB2       ASN  62 -12.435  12.183  -4.964
  523   2HB   ASN  62          HB1       ASN  62 -13.992  11.373  -4.844
  524   1HD2  ASN  62          HD21      ASN  62 -13.439  14.124  -5.490
  525   2HD2  ASN  62          HD22      ASN  62 -14.240  15.090  -4.289
  526    H    THR  63           HN       THR  63 -12.579   9.914  -0.909
  527    HA   THR  63           HA       THR  63 -15.435   9.592  -0.556
  528    HB   THR  63           HB       THR  63 -14.883   7.654  -1.956
  529    HG1  THR  63           HG1      THR  63 -15.507   7.124   0.771
  530   1HG2  THR  63          HG21      THR  63 -12.527   7.405  -1.375
  531   2HG2  THR  63          HG22      THR  63 -13.394   5.888  -1.131
  532   3HG2  THR  63          HG23      THR  63 -12.970   6.895   0.255
  533    H    GLY  64           HN       GLY  64 -12.782  10.630   0.725
  534   1HA   GLY  64          HA2       GLY  64 -12.084  11.015   2.877
  535   2HA   GLY  64          HA1       GLY  64 -13.571  10.257   3.421
  536    H    VAL  65           HN       VAL  65 -11.057   8.780   1.445
  537    HA   VAL  65           HA       VAL  65 -10.393   7.013   3.705
  538    HB   VAL  65           HB       VAL  65 -10.908   6.208   0.832
  539   1HG1  VAL  65          HG11      VAL  65 -10.139   3.969   1.417
  540   2HG1  VAL  65          HG12      VAL  65  -9.690   4.529   3.028
  541   3HG1  VAL  65          HG13      VAL  65  -8.836   5.141   1.611
  542   1HG2  VAL  65          HG21      VAL  65 -12.850   6.320   2.358
  543   2HG2  VAL  65          HG22      VAL  65 -12.043   5.161   3.417
  544   3HG2  VAL  65          HG23      VAL  65 -12.515   4.683   1.788
  545    H    ASP  66           HN       ASP  66  -8.350   7.203   4.219
  546    HA   ASP  66           HA       ASP  66  -6.364   7.941   2.200
  547   1HB   ASP  66          HB2       ASP  66  -6.143   7.624   5.205
  548   2HB   ASP  66          HB1       ASP  66  -4.803   8.058   4.153
  549    H    ILE  67           HN       ILE  67  -5.273   6.385   1.192
  550    HA   ILE  67           HA       ILE  67  -5.380   3.671   2.239
  551    HB   ILE  67           HB       ILE  67  -4.207   4.727  -0.347
  552   1HG1  ILE  67          HG12      ILE  67  -6.653   4.889  -0.239
  553   2HG1  ILE  67          HG11      ILE  67  -6.151   3.668  -1.402
  554   1HG2  ILE  67          HG21      ILE  67  -4.066   2.375  -1.034
  555   2HG2  ILE  67          HG22      ILE  67  -4.582   1.883   0.579
  556   3HG2  ILE  67          HG23      ILE  67  -3.043   2.716   0.363
  557   1HD1  ILE  67          HD11      ILE  67  -7.128   3.131   1.394
  558   2HD1  ILE  67          HD12      ILE  67  -6.657   1.915   0.208
  559   3HD1  ILE  67          HD13      ILE  67  -8.066   2.935  -0.087
  560    H    ILE  68           HN       ILE  68  -3.988   3.347   3.833
  561    HA   ILE  68           HA       ILE  68  -1.286   4.476   3.579
  562    HB   ILE  68           HB       ILE  68  -1.150   4.103   6.073
  563   1HG1  ILE  68          HG12      ILE  68  -4.143   3.760   5.756
  564   2HG1  ILE  68          HG11      ILE  68  -3.011   2.527   6.300
  565   1HG2  ILE  68          HG21      ILE  68  -2.355   6.157   6.600
  566   2HG2  ILE  68          HG22      ILE  68  -3.211   6.056   5.061
  567   3HG2  ILE  68          HG23      ILE  68  -1.465   6.301   5.084
  568   1HD1  ILE  68          HD11      ILE  68  -4.231   3.507   8.161
  569   2HD1  ILE  68          HD12      ILE  68  -3.623   5.104   7.726
  570   3HD1  ILE  68          HD13      ILE  68  -2.506   3.855   8.277
  571    H    CYS  69           HN       CYS  69   0.459   3.213   3.720
  572    HA   CYS  69           HA       CYS  69   0.028   0.329   3.842
  573   1HB   CYS  69          HB2       CYS  69   1.385   1.149   1.983
  574   2HB   CYS  69          HB1       CYS  69   2.485   1.939   3.107
  575    HG   CYS  69           HG       CYS  69   2.084  -1.410   2.592
  576    H    THR  70           HN       THR  70   1.095  -0.966   5.341
  577    HA   THR  70           HA       THR  70   2.101   0.490   7.701
  578    HB   THR  70           HB       THR  70  -0.162  -0.378   8.099
  579    HG1  THR  70           HG1      THR  70   2.039  -1.336   9.487
  580   1HG2  THR  70          HG21      THR  70  -0.186  -2.186   6.461
  581   2HG2  THR  70          HG22      THR  70  -0.628  -2.789   8.060
  582   3HG2  THR  70          HG23      THR  70   0.989  -3.088   7.424
  583    H    LYS  71           HN       LYS  71   3.159  -1.241   5.263
  584    HA   LYS  71           HA       LYS  71   4.834  -3.036   6.848
  585   1HB   LYS  71          HB2       LYS  71   3.733  -3.854   4.716
  586   2HB   LYS  71          HB1       LYS  71   4.800  -2.762   3.839
  587   1HG   LYS  71          HG2       LYS  71   5.735  -4.978   3.813
  588   2HG   LYS  71          HG1       LYS  71   6.747  -3.936   4.818
  589   1HD   LYS  71          HD2       LYS  71   5.513  -4.806   6.814
  590   2HD   LYS  71          HD1       LYS  71   4.706  -5.956   5.748
  591   1HE   LYS  71          HE2       LYS  71   6.537  -7.076   6.794
  592   2HE   LYS  71          HE1       LYS  71   6.955  -6.821   5.100
  593   1HZ   LYS  71          HZ1       LYS  71   8.358  -4.997   5.709
  594   2HZ   LYS  71          HZ2       LYS  71   8.785  -6.330   6.659
  595   3HZ   LYS  71          HZ3       LYS  71   7.861  -5.074   7.326
  596    H    ASN  72           HN       ASN  72   6.872  -2.584   7.280
  597    HA   ASN  72           HA       ASN  72   7.956  -0.048   6.351
  598   1HB   ASN  72          HB2       ASN  72   8.767  -2.014   8.489
  599   2HB   ASN  72          HB1       ASN  72   9.790  -0.657   8.031
  600   1HD2  ASN  72          HD21      ASN  72   6.509  -1.441   9.150
  601   2HD2  ASN  72          HD22      ASN  72   6.320   0.001  10.079
  602    H    LEU  73           HN       LEU  73   9.161   0.006   4.584
  603    HA   LEU  73           HA       LEU  73  10.438  -2.468   3.666
  604   1HB   LEU  73          HB2       LEU  73   9.976   0.168   2.267
  605   2HB   LEU  73          HB1       LEU  73  10.833  -1.181   1.555
  606    HG   LEU  73           HG       LEU  73   8.661  -2.510   1.893
  607   1HD1  LEU  73          HD11      LEU  73   7.552  -0.953   3.401
  608   2HD1  LEU  73          HD12      LEU  73   6.616  -1.186   1.924
  609   3HD1  LEU  73          HD13      LEU  73   7.566   0.284   2.144
  610   1HD2  LEU  73          HD21      LEU  73   9.489  -1.809  -0.280
  611   2HD2  LEU  73          HD22      LEU  73   8.758  -0.219  -0.063
  612   3HD2  LEU  73          HD23      LEU  73   7.734  -1.648  -0.204
  613    HA   PRO  74           HA       PRO  74  14.423  -0.895   5.133
  614   1HB   PRO  74          HB2       PRO  74  15.809  -2.869   3.741
  615   2HB   PRO  74          HB1       PRO  74  15.255  -2.997   5.414
  616   1HG   PRO  74          HG2       PRO  74  14.033  -4.079   2.921
  617   2HG   PRO  74          HG1       PRO  74  14.084  -4.781   4.548
  618   1HD   PRO  74          HD2       PRO  74  11.862  -3.634   3.559
  619   2HD   PRO  74          HD1       PRO  74  12.281  -3.534   5.282
  620    H    LYS  75           HN       LYS  75  15.447   0.719   4.151
  621    HA   LYS  75           HA       LYS  75  14.717   1.402   1.501
  622   1HB   LYS  75          HB2       LYS  75  14.934   3.174   3.065
  623   2HB   LYS  75          HB1       LYS  75  16.562   2.676   3.503
  624   1HG   LYS  75          HG2       LYS  75  16.715   4.625   2.153
  625   2HG   LYS  75          HG1       LYS  75  17.297   3.256   1.207
  626   1HD   LYS  75          HD2       LYS  75  14.890   3.150   0.288
  627   2HD   LYS  75          HD1       LYS  75  14.734   4.787   0.931
  628   1HE   LYS  75          HE2       LYS  75  16.560   3.777  -1.224
  629   2HE   LYS  75          HE1       LYS  75  15.405   5.107  -1.286
  630   1HZ   LYS  75          HZ1       LYS  75  17.954   5.064   0.243
  631   2HZ   LYS  75          HZ2       LYS  75  16.836   6.341   0.252
  632   3HZ   LYS  75          HZ3       LYS  75  17.653   5.940  -1.178
  633    H    ASP  76           HN       ASP  76  17.965   1.167   2.848
  634    HA   ASP  76           HA       ASP  76  18.865   0.345   0.167
  635   1HB   ASP  76          HB2       ASP  76  20.195   2.211   2.131
  636   2HB   ASP  76          HB1       ASP  76  21.053   1.491   0.774
  637    H    SER  77           HN       SER  77  19.062  -1.803   0.430
  638    HA   SER  77           HA       SER  77  20.341  -3.042   2.638
  639   1HB   SER  77          HB2       SER  77  18.808  -4.274   1.146
  640   2HB   SER  77          HB1       SER  77  19.929  -4.051  -0.195
  641    HG   SER  77           HG       SER  77  20.931  -5.240   2.126
  642    H    LEU  78           HN       LEU  78  22.337  -2.347   3.120
  643    HA   LEU  78           HA       LEU  78  24.156  -1.471   1.088
  644   1HB   LEU  78          HB2       LEU  78  24.543  -1.806   4.060
  645   2HB   LEU  78          HB1       LEU  78  25.707  -1.066   2.979
  646    HG   LEU  78           HG       LEU  78  22.931  -0.024   3.561
  647   1HD1  LEU  78          HD11      LEU  78  25.651   0.995   4.368
  648   2HD1  LEU  78          HD12      LEU  78  24.447   0.273   5.435
  649   3HD1  LEU  78          HD13      LEU  78  24.117   1.819   4.653
  650   1HD2  LEU  78          HD21      LEU  78  23.613   0.465   1.271
  651   2HD2  LEU  78          HD22      LEU  78  25.136   1.132   1.858
  652   3HD2  LEU  78          HD23      LEU  78  23.613   1.928   2.255
  653    H    GLU  79           HN       GLU  79  24.567  -3.243  -0.167
  654    HA   GLU  79           HA       GLU  79  26.504  -5.105   1.013
  655   1HB   GLU  79          HB2       GLU  79  24.051  -5.965   0.338
  656   2HB   GLU  79          HB1       GLU  79  24.805  -6.054  -1.247
  657   1HG   GLU  79          HG2       GLU  79  25.782  -7.426   1.249
  658   2HG   GLU  79          HG1       GLU  79  24.904  -8.186  -0.076
  659    H    HIS  80           HN       HIS  80  28.311  -4.168   0.206
  660    HA   HIS  80           HA       HIS  80  28.341  -3.490  -2.660
  661   1HB   HIS  80          HB2       HIS  80  28.672  -1.607  -1.034
  662   2HB   HIS  80          HB1       HIS  80  30.145  -2.397  -0.488
  663    HD1  HIS  80           HD1      HIS  80  28.685  -0.791  -3.608
  664    HD2  HIS  80           HD2      HIS  80  32.373  -1.796  -1.954
  665    HE1  HIS  80           HE1      HIS  80  30.417   0.225  -5.125
  666    HE2  HIS  80           HE2      HIS  80  32.640  -0.503  -4.178
  667    H    HIS  81           HN       HIS  81  29.041  -6.021  -0.948
  668    HA   HIS  81           HA       HIS  81  31.825  -6.395  -1.747
  669   1HB   HIS  81          HB2       HIS  81  29.947  -8.270  -0.286
  670   2HB   HIS  81          HB1       HIS  81  31.657  -8.560  -0.574
  671    HD1  HIS  81           HD1      HIS  81  33.275  -7.639   1.109
  672    HD2  HIS  81           HD2      HIS  81  29.425  -6.135   1.579
  673    HE1  HIS  81           HE1      HIS  81  33.301  -6.356   3.278
  674    HE2  HIS  81           HE2      HIS  81  30.918  -5.605   3.618
  675    H    HIS  82           HN       HIS  82  32.426  -8.357  -2.915
  676    HA   HIS  82           HA       HIS  82  30.399  -9.168  -4.859
  677   1HB   HIS  82          HB2       HIS  82  33.404  -9.459  -4.804
  678   2HB   HIS  82          HB1       HIS  82  32.399 -10.335  -5.956
  679    HD1  HIS  82           HD1      HIS  82  34.482  -7.624  -6.112
  680    HD2  HIS  82           HD2      HIS  82  30.445  -8.053  -7.025
  681    HE1  HIS  82           HE1      HIS  82  33.942  -5.760  -7.709
  682    HE2  HIS  82           HE2      HIS  82  31.458  -5.932  -8.102
  683    H    HIS  83           HN       HIS  83  30.941 -11.726  -5.450
  684    HA   HIS  83           HA       HIS  83  29.597 -13.001  -3.353
  685   1HB   HIS  83          HB2       HIS  83  29.722 -13.676  -5.826
  686   2HB   HIS  83          HB1       HIS  83  31.218 -14.501  -5.398
  687    HD1  HIS  83           HD1      HIS  83  27.686 -15.046  -5.650
  688    HD2  HIS  83           HD2      HIS  83  30.723 -16.465  -3.185
  689    HE1  HIS  83           HE1      HIS  83  26.779 -17.138  -4.591
  690    HE2  HIS  83           HE2      HIS  83  28.540 -17.832  -2.930
  691    H    HIS  84           HN       HIS  84  32.997 -13.400  -4.367
  692    HA   HIS  84           HA       HIS  84  33.869 -13.352  -1.652
  693   1HB   HIS  84          HB2       HIS  84  33.019 -15.726  -1.906
  694   2HB   HIS  84          HB1       HIS  84  34.301 -15.977  -3.087
  695    HD1  HIS  84           HD1      HIS  84  35.008 -13.922  -0.051
  696    HD2  HIS  84           HD2      HIS  84  35.568 -17.822  -1.384
  697    HE1  HIS  84           HE1      HIS  84  36.615 -14.966   1.571
  698    HE2  HIS  84           HE2      HIS  84  36.733 -17.387   0.892
  699    H    HIS  85           HN       HIS  85  34.921 -14.792  -4.740
  700    HA   HIS  85           HA       HIS  85  36.674 -12.562  -5.202
  701   1HB   HIS  85          HB2       HIS  85  38.742 -13.800  -5.454
  702   2HB   HIS  85          HB1       HIS  85  38.135 -14.015  -3.821
  703    HD1  HIS  85           HD1      HIS  85  37.966 -16.369  -3.013
  704    HD2  HIS  85           HD2      HIS  85  38.341 -16.157  -7.143
  705    HE1  HIS  85           HE1      HIS  85  38.256 -18.738  -3.783
  706    HE2  HIS  85           HE2      HIS  85  38.739 -18.552  -6.247
  Start of MODEL   16
    1   1H    MET   1          HT1       MET   1 -25.712  -0.190   2.665
    2   2H    MET   1          HT2       MET   1 -24.089  -0.106   3.138
    3   3H    MET   1          HT3       MET   1 -25.303  -0.238   4.307
    4    HA   MET   1           HA       MET   1 -25.892  -2.429   3.454
    5   1HB   MET   1          HB2       MET   1 -25.002  -1.941   1.153
    6   2HB   MET   1          HB1       MET   1 -23.378  -2.111   1.800
    7   1HG   MET   1          HG2       MET   1 -23.845  -4.431   2.380
    8   2HG   MET   1          HG1       MET   1 -25.483  -4.261   1.747
    9   1HE   MET   1          HE1       MET   1 -23.874  -6.534  -0.969
   10   2HE   MET   1          HE2       MET   1 -25.219  -6.315   0.150
   11   3HE   MET   1          HE3       MET   1 -23.592  -6.595   0.771
   12    H    HIS   2           HN       HIS   2 -22.383  -1.795   3.379
   13    HA   HIS   2           HA       HIS   2 -22.079  -2.185   6.175
   14   1HB   HIS   2          HB2       HIS   2 -22.395  -4.573   5.357
   15   2HB   HIS   2          HB1       HIS   2 -20.868  -4.385   4.494
   16    HD1  HIS   2           HD1      HIS   2 -19.021  -5.441   5.797
   17    HD2  HIS   2           HD2      HIS   2 -21.872  -3.683   8.262
   18    HE1  HIS   2           HE1      HIS   2 -18.183  -5.760   8.142
   19    HE2  HIS   2           HE2      HIS   2 -20.047  -4.906   9.612
   20    H    LYS   3           HN       LYS   3 -20.503  -0.869   6.679
   21    HA   LYS   3           HA       LYS   3 -18.450  -0.207   4.723
   22   1HB   LYS   3          HB2       LYS   3 -18.968   0.914   7.490
   23   2HB   LYS   3          HB1       LYS   3 -17.827   1.554   6.317
   24   1HG   LYS   3          HG2       LYS   3 -20.738   1.337   5.667
   25   2HG   LYS   3          HG1       LYS   3 -20.101   2.709   6.570
   26   1HD   LYS   3          HD2       LYS   3 -19.018   1.837   3.899
   27   2HD   LYS   3          HD1       LYS   3 -20.297   3.038   4.081
   28   1HE   LYS   3          HE2       LYS   3 -17.528   3.227   5.266
   29   2HE   LYS   3          HE1       LYS   3 -18.083   4.077   3.826
   30   1HZ   LYS   3          HZ1       LYS   3 -19.741   5.212   5.195
   31   2HZ   LYS   3          HZ2       LYS   3 -18.167   5.515   5.752
   32   3HZ   LYS   3          HZ3       LYS   3 -19.157   4.417   6.578
   33    H    ASP   4           HN       ASP   4 -16.690  -1.433   4.660
   34    HA   ASP   4           HA       ASP   4 -15.592  -2.529   7.170
   35   1HB   ASP   4          HB2       ASP   4 -16.900  -4.192   5.641
   36   2HB   ASP   4          HB1       ASP   4 -15.502  -4.072   4.582
   37    H    ILE   5           HN       ILE   5 -13.230  -3.380   6.619
   38    HA   ILE   5           HA       ILE   5 -11.927  -1.010   5.531
   39    HB   ILE   5           HB       ILE   5 -10.760  -3.365   7.019
   40   1HG1  ILE   5          HG12      ILE   5 -12.256  -1.993   8.400
   41   2HG1  ILE   5          HG11      ILE   5 -10.582  -1.805   8.907
   42   1HG2  ILE   5          HG21      ILE   5  -9.108  -2.350   5.555
   43   2HG2  ILE   5          HG22      ILE   5  -8.744  -1.985   7.242
   44   3HG2  ILE   5          HG23      ILE   5  -9.480  -0.756   6.213
   45   1HD1  ILE   5          HD11      ILE   5 -10.461   0.322   7.720
   46   2HD1  ILE   5          HD12      ILE   5 -11.754   0.317   8.921
   47   3HD1  ILE   5          HD13      ILE   5 -12.138   0.130   7.209
   48    H    PHE   6           HN       PHE   6 -11.509  -0.998   3.407
   49    HA   PHE   6           HA       PHE   6 -11.108  -3.310   1.830
   50   1HB   PHE   6          HB2       PHE   6 -11.817  -1.322   0.721
   51   2HB   PHE   6          HB1       PHE   6 -10.475  -0.395   1.378
   52    HD1  PHE   6           HD2      PHE   6 -10.900  -3.528  -0.620
   53    HD2  PHE   6           HD1      PHE   6  -8.874   0.182  -0.142
   54    HE1  PHE   6           HE2      PHE   6  -9.590  -3.985  -2.650
   55    HE2  PHE   6           HE1      PHE   6  -7.561  -0.271  -2.171
   56    HZ   PHE   6           HZ       PHE   6  -7.917  -2.357  -3.428
   57    H    THR   7           HN       THR   7  -9.478  -4.645   1.991
   58    HA   THR   7           HA       THR   7  -6.783  -3.542   2.389
   59    HB   THR   7           HB       THR   7  -6.267  -5.866   3.371
   60    HG1  THR   7           HG1      THR   7  -9.025  -5.898   4.011
   61   1HG2  THR   7          HG21      THR   7  -7.007  -5.201   5.614
   62   2HG2  THR   7          HG22      THR   7  -8.083  -3.998   4.902
   63   3HG2  THR   7          HG23      THR   7  -6.335  -3.830   4.730
   64    H    SER   8           HN       SER   8  -5.274  -4.160   0.903
   65    HA   SER   8           HA       SER   8  -5.738  -6.438  -0.820
   66   1HB   SER   8          HB2       SER   8  -7.044  -4.527  -1.845
   67   2HB   SER   8          HB1       SER   8  -5.512  -3.681  -2.059
   68    HG   SER   8           HG       SER   8  -6.508  -5.189  -3.804
   69    H    VAL   9           HN       VAL   9  -3.891  -5.736  -2.809
   70    HA   VAL   9           HA       VAL   9  -1.441  -5.026  -1.390
   71    HB   VAL   9           HB       VAL   9  -1.551  -7.470  -1.229
   72   1HG1  VAL   9          HG11      VAL   9  -2.949  -7.948  -3.153
   73   2HG1  VAL   9          HG12      VAL   9  -1.452  -8.878  -3.226
   74   3HG1  VAL   9          HG13      VAL   9  -1.653  -7.449  -4.239
   75   1HG2  VAL   9          HG21      VAL   9   0.634  -6.431  -1.442
   76   2HG2  VAL   9          HG22      VAL   9   0.525  -6.525  -3.199
   77   3HG2  VAL   9          HG23      VAL   9   0.613  -8.003  -2.242
   78    H    VAL  10           HN       VAL  10  -0.015  -3.911  -2.643
   79    HA   VAL  10           HA       VAL  10  -0.701  -3.655  -5.497
   80    HB   VAL  10           HB       VAL  10  -1.389  -1.651  -4.226
   81   1HG1  VAL  10          HG11      VAL  10   0.318  -0.150  -3.294
   82   2HG1  VAL  10          HG12      VAL  10   1.538  -1.392  -3.577
   83   3HG1  VAL  10          HG13      VAL  10   0.225  -1.690  -2.440
   84   1HG2  VAL  10          HG21      VAL  10   0.904  -1.214  -6.130
   85   2HG2  VAL  10          HG22      VAL  10  -0.245   0.025  -5.628
   86   3HG2  VAL  10          HG23      VAL  10  -0.803  -1.374  -6.544
   87    H    ARG  11           HN       ARG  11   1.040  -3.304  -6.926
   88    HA   ARG  11           HA       ARG  11   3.408  -4.711  -6.163
   89   1HB   ARG  11          HB2       ARG  11   2.576  -3.342  -8.717
   90   2HB   ARG  11          HB1       ARG  11   4.124  -4.156  -8.529
   91   1HG   ARG  11          HG2       ARG  11   3.044  -6.259  -8.143
   92   2HG   ARG  11          HG1       ARG  11   1.458  -5.488  -8.109
   93   1HD   ARG  11          HD2       ARG  11   3.302  -5.543 -10.495
   94   2HD   ARG  11          HD1       ARG  11   1.943  -6.638 -10.245
   95    HE   ARG  11           HE       ARG  11   1.404  -3.769 -10.250
   96   1HH1  ARG  11          HH11      ARG  11   1.248  -6.844 -11.900
   97   2HH1  ARG  11          HH12      ARG  11   0.039  -6.329 -13.035
   98   1HH2  ARG  11          HH21      ARG  11  -0.187  -3.068 -11.748
   99   2HH2  ARG  11          HH22      ARG  11  -0.756  -4.162 -12.969
  100    H    VAL  12           HN       VAL  12   5.506  -3.971  -6.045
  101    HA   VAL  12           HA       VAL  12   5.645  -1.149  -5.252
  102    HB   VAL  12           HB       VAL  12   7.350  -3.484  -4.371
  103   1HG1  VAL  12          HG11      VAL  12   8.204  -1.937  -2.662
  104   2HG1  VAL  12          HG12      VAL  12   7.318  -0.623  -3.436
  105   3HG1  VAL  12          HG13      VAL  12   8.626  -1.432  -4.300
  106   1HG2  VAL  12          HG21      VAL  12   6.215  -3.183  -2.217
  107   2HG2  VAL  12          HG22      VAL  12   5.095  -3.623  -3.508
  108   3HG2  VAL  12          HG23      VAL  12   5.186  -1.951  -2.950
  109    H    ARG  13           HN       ARG  13   7.325   0.125  -5.819
  110    HA   ARG  13           HA       ARG  13   9.294  -0.815  -7.778
  111   1HB   ARG  13          HB2       ARG  13   7.312   0.090  -8.984
  112   2HB   ARG  13          HB1       ARG  13   7.475   1.598  -8.105
  113   1HG   ARG  13          HG2       ARG  13   9.587   2.040  -9.203
  114   2HG   ARG  13          HG1       ARG  13   9.500   0.486 -10.036
  115   1HD   ARG  13          HD2       ARG  13   8.789   2.426 -11.431
  116   2HD   ARG  13          HD1       ARG  13   7.559   1.175 -11.256
  117    HE   ARG  13           HE       ARG  13   6.762   2.776  -9.350
  118   1HH1  ARG  13          HH11      ARG  13   8.091   3.735 -12.437
  119   2HH1  ARG  13          HH12      ARG  13   7.114   5.164 -12.557
  120   1HH2  ARG  13          HH21      ARG  13   5.469   4.654  -9.504
  121   2HH2  ARG  13          HH22      ARG  13   5.617   5.685 -10.897
  122    H    GLY  14           HN       GLY  14  10.921   1.202  -8.135
  123   1HA   GLY  14          HA2       GLY  14  11.371   3.471  -7.335
  124   2HA   GLY  14          HA1       GLY  14  10.842   2.943  -5.750
  125    H    SER  15           HN       SER  15  12.715   3.691  -4.821
  126    HA   SER  15           HA       SER  15  15.308   2.972  -5.774
  127   1HB   SER  15          HB2       SER  15  14.567   4.250  -3.136
  128   2HB   SER  15          HB1       SER  15  16.117   4.343  -3.973
  129    HG   SER  15           HG       SER  15  15.362   6.007  -4.992
  130    H    LYS  16           HN       LYS  16  13.358   0.855  -4.659
  131    HA   LYS  16           HA       LYS  16  15.477  -0.717  -3.553
  132   1HB   LYS  16          HB2       LYS  16  14.820  -1.004  -1.398
  133   2HB   LYS  16          HB1       LYS  16  14.158   0.600  -1.627
  134   1HG   LYS  16          HG2       LYS  16  12.620  -1.988  -1.773
  135   2HG   LYS  16          HG1       LYS  16  12.627  -0.851  -0.428
  136   1HD   LYS  16          HD2       LYS  16  11.799   0.852  -2.220
  137   2HD   LYS  16          HD1       LYS  16  11.371  -0.609  -3.124
  138   1HE   LYS  16          HE2       LYS  16   9.964  -1.375  -1.345
  139   2HE   LYS  16          HE1       LYS  16  10.489  -0.058  -0.299
  140   1HZ   LYS  16          HZ1       LYS  16   9.099   0.423  -2.871
  141   2HZ   LYS  16          HZ2       LYS  16   9.332   1.512  -1.591
  142   3HZ   LYS  16          HZ3       LYS  16   8.264   0.214  -1.417
  143    H    LYS  17           HN       LYS  17  15.109  -2.921  -3.845
  144    HA   LYS  17           HA       LYS  17  13.021  -3.377  -5.811
  145   1HB   LYS  17          HB2       LYS  17  15.368  -4.146  -6.209
  146   2HB   LYS  17          HB1       LYS  17  15.167  -5.295  -4.893
  147   1HG   LYS  17          HG2       LYS  17  13.426  -6.445  -6.092
  148   2HG   LYS  17          HG1       LYS  17  13.464  -5.233  -7.375
  149   1HD   LYS  17          HD2       LYS  17  15.800  -5.863  -7.858
  150   2HD   LYS  17          HD1       LYS  17  15.693  -7.119  -6.622
  151   1HE   LYS  17          HE2       LYS  17  13.935  -8.230  -7.862
  152   2HE   LYS  17          HE1       LYS  17  13.937  -6.944  -9.067
  153   1HZ   LYS  17          HZ1       LYS  17  15.185  -8.823  -9.868
  154   2HZ   LYS  17          HZ2       LYS  17  16.171  -8.813  -8.486
  155   3HZ   LYS  17          HZ3       LYS  17  16.244  -7.527  -9.591
  156    H    TYR  18           HN       TYR  18  11.206  -3.324  -4.488
  157    HA   TYR  18           HA       TYR  18  10.888  -5.768  -2.905
  158   1HB   TYR  18          HB2       TYR  18  10.611  -3.328  -1.843
  159   2HB   TYR  18          HB1       TYR  18   8.981  -3.532  -2.481
  160    HD1  TYR  18           HD1      TYR  18   7.547  -5.379  -1.647
  161    HD2  TYR  18           HD2      TYR  18  11.371  -4.586   0.041
  162    HE1  TYR  18           HE1      TYR  18   6.965  -6.757   0.307
  163    HE2  TYR  18           HE2      TYR  18  10.800  -5.960   1.997
  164    HH   TYR  18           HH       TYR  18   8.674  -6.697   3.171
  165    H    ASN  19           HN       ASN  19   9.027  -7.021  -3.309
  166    HA   ASN  19           HA       ASN  19   8.143  -6.772  -6.018
  167   1HB   ASN  19          HB2       ASN  19   8.697  -8.965  -5.048
  168   2HB   ASN  19          HB1       ASN  19   7.336  -8.805  -3.944
  169   1HD2  ASN  19          HD21      ASN  19   7.248  -7.729  -7.275
  170   2HD2  ASN  19          HD22      ASN  19   6.120  -8.917  -7.828
  171    H    VAL  20           HN       VAL  20   6.223  -7.314  -3.114
  172    HA   VAL  20           HA       VAL  20   4.231  -5.416  -4.124
  173    HB   VAL  20           HB       VAL  20   2.404  -6.991  -3.455
  174   1HG1  VAL  20          HG11      VAL  20   3.001  -6.706  -5.795
  175   2HG1  VAL  20          HG12      VAL  20   2.528  -8.372  -5.470
  176   3HG1  VAL  20          HG13      VAL  20   4.234  -7.957  -5.650
  177   1HG2  VAL  20          HG21      VAL  20   4.644  -9.012  -3.347
  178   2HG2  VAL  20          HG22      VAL  20   2.919  -9.378  -3.269
  179   3HG2  VAL  20          HG23      VAL  20   3.682  -8.447  -1.980
  180    H    VAL  21           HN       VAL  21   2.966  -4.413  -2.556
  181    HA   VAL  21           HA       VAL  21   3.634  -5.051   0.238
  182    HB   VAL  21           HB       VAL  21   4.806  -2.992  -0.481
  183   1HG1  VAL  21          HG11      VAL  21   3.535  -0.939  -0.903
  184   2HG1  VAL  21          HG12      VAL  21   2.038  -1.871  -0.883
  185   3HG1  VAL  21          HG13      VAL  21   3.243  -2.164  -2.138
  186   1HG2  VAL  21          HG21      VAL  21   2.623  -2.565   1.548
  187   2HG2  VAL  21          HG22      VAL  21   4.076  -1.576   1.381
  188   3HG2  VAL  21          HG23      VAL  21   4.212  -3.273   1.839
  189    HA   PRO  22           HA       PRO  22  -0.820  -5.321   0.557
  190   1HB   PRO  22          HB2       PRO  22  -0.915  -5.767   3.232
  191   2HB   PRO  22          HB1       PRO  22  -0.474  -7.018   2.063
  192   1HG   PRO  22          HG2       PRO  22   1.292  -5.319   3.778
  193   2HG   PRO  22          HG1       PRO  22   1.412  -7.052   3.421
  194   1HD   PRO  22          HD2       PRO  22   2.936  -5.185   2.179
  195   2HD   PRO  22          HD1       PRO  22   2.425  -6.687   1.383
  196    H    VAL  23           HN       VAL  23  -2.316  -3.814   0.834
  197    HA   VAL  23           HA       VAL  23  -1.668  -1.448   2.465
  198    HB   VAL  23           HB       VAL  23  -3.014  -0.111   0.877
  199   1HG1  VAL  23          HG11      VAL  23  -0.743  -1.629  -0.397
  200   2HG1  VAL  23          HG12      VAL  23  -0.595  -0.201   0.628
  201   3HG1  VAL  23          HG13      VAL  23  -1.383  -0.080  -0.947
  202   1HG2  VAL  23          HG21      VAL  23  -3.612  -1.051  -1.300
  203   2HG2  VAL  23          HG22      VAL  23  -4.442  -1.890   0.011
  204   3HG2  VAL  23          HG23      VAL  23  -3.047  -2.634  -0.771
  205    H    LYS  24           HN       LYS  24  -3.622  -0.207   3.125
  206    HA   LYS  24           HA       LYS  24  -6.082  -1.751   3.353
  207   1HB   LYS  24          HB2       LYS  24  -6.198  -1.289   5.809
  208   2HB   LYS  24          HB1       LYS  24  -4.941  -2.434   5.360
  209   1HG   LYS  24          HG2       LYS  24  -3.232  -0.915   5.779
  210   2HG   LYS  24          HG1       LYS  24  -4.313   0.474   5.684
  211   1HD   LYS  24          HD2       LYS  24  -3.638   0.028   7.990
  212   2HD   LYS  24          HD1       LYS  24  -5.374  -0.193   7.774
  213   1HE   LYS  24          HE2       LYS  24  -5.005  -2.628   7.589
  214   2HE   LYS  24          HE1       LYS  24  -3.288  -2.368   7.905
  215   1HZ   LYS  24          HZ1       LYS  24  -3.875  -1.409  10.056
  216   2HZ   LYS  24          HZ2       LYS  24  -4.451  -2.996   9.921
  217   3HZ   LYS  24          HZ3       LYS  24  -5.518  -1.695   9.748
  218    H    SER  25           HN       SER  25  -7.742  -0.346   4.606
  219    HA   SER  25           HA       SER  25  -7.459   2.460   3.745
  220   1HB   SER  25          HB2       SER  25  -9.985   0.950   4.455
  221   2HB   SER  25          HB1       SER  25  -9.876   2.550   3.722
  222    HG   SER  25           HG       SER  25  -8.666   0.353   2.454
  223    H    ASN  26           HN       ASN  26  -7.384   4.033   5.271
  224    HA   ASN  26           HA       ASN  26  -7.343   3.249   8.039
  225   1HB   ASN  26          HB2       ASN  26  -6.631   5.464   8.552
  226   2HB   ASN  26          HB1       ASN  26  -5.819   5.010   7.058
  227   1HD2  ASN  26          HD21      ASN  26  -6.261   6.112   5.196
  228   2HD2  ASN  26          HD22      ASN  26  -7.200   7.566   5.172
  229    H    LYS  27           HN       LYS  27  -9.738   4.188   5.893
  230    HA   LYS  27           HA       LYS  27 -11.601   4.463   8.132
  231   1HB   LYS  27          HB2       LYS  27 -11.144   6.729   7.157
  232   2HB   LYS  27          HB1       LYS  27 -11.764   6.145   5.618
  233   1HG   LYS  27          HG2       LYS  27 -13.946   5.794   6.581
  234   2HG   LYS  27          HG1       LYS  27 -13.343   6.219   8.183
  235   1HD   LYS  27          HD2       LYS  27 -14.510   8.109   7.313
  236   2HD   LYS  27          HD1       LYS  27 -12.785   8.481   7.286
  237   1HE   LYS  27          HE2       LYS  27 -12.697   7.942   4.912
  238   2HE   LYS  27          HE1       LYS  27 -14.411   7.528   4.934
  239   1HZ   LYS  27          HZ1       LYS  27 -14.923   9.811   5.528
  240   2HZ   LYS  27          HZ2       LYS  27 -14.050   9.754   4.079
  241   3HZ   LYS  27          HZ3       LYS  27 -13.273  10.210   5.519
  242    HA   PRO  28           HA       PRO  28 -13.516   1.050   6.137
  243   1HB   PRO  28          HB2       PRO  28 -16.121   1.551   6.944
  244   2HB   PRO  28          HB1       PRO  28 -14.904   0.698   7.893
  245   1HG   PRO  28          HG2       PRO  28 -15.766   3.554   8.037
  246   2HG   PRO  28          HG1       PRO  28 -15.355   2.437   9.352
  247   1HD   PRO  28          HD2       PRO  28 -13.632   4.317   8.544
  248   2HD   PRO  28          HD1       PRO  28 -13.069   2.702   9.029
  249    H    VAL  29           HN       VAL  29 -14.421   0.583   4.270
  250    HA   VAL  29           HA       VAL  29 -15.869   2.675   2.788
  251    HB   VAL  29           HB       VAL  29 -14.946   1.477   0.722
  252   1HG1  VAL  29          HG11      VAL  29 -12.827   2.709   0.786
  253   2HG1  VAL  29          HG12      VAL  29 -13.028   2.946   2.521
  254   3HG1  VAL  29          HG13      VAL  29 -14.168   3.681   1.393
  255   1HG2  VAL  29          HG21      VAL  29 -12.837   0.282   1.028
  256   2HG2  VAL  29          HG22      VAL  29 -14.180  -0.541   1.818
  257   3HG2  VAL  29          HG23      VAL  29 -13.034   0.397   2.776
  258    H    GLU  30           HN       GLU  30 -17.099   1.564   0.878
  259    HA   GLU  30           HA       GLU  30 -18.973  -0.250   2.032
  260   1HB   GLU  30          HB2       GLU  30 -18.626   0.508  -0.872
  261   2HB   GLU  30          HB1       GLU  30 -20.058  -0.200  -0.142
  262   1HG   GLU  30          HG2       GLU  30 -20.574   1.774   1.014
  263   2HG   GLU  30          HG1       GLU  30 -18.979   2.464   0.713
  264    H    ILE  31           HN       ILE  31 -19.150  -2.449   1.794
  265    HA   ILE  31           HA       ILE  31 -16.994  -3.968   0.749
  266    HB   ILE  31           HB       ILE  31 -18.481  -5.933   0.991
  267   1HG1  ILE  31          HG12      ILE  31 -20.552  -3.915   1.892
  268   2HG1  ILE  31          HG11      ILE  31 -20.603  -4.807   0.375
  269   1HG2  ILE  31          HG21      ILE  31 -18.487  -4.047   3.343
  270   2HG2  ILE  31          HG22      ILE  31 -17.184  -5.144   2.888
  271   3HG2  ILE  31          HG23      ILE  31 -18.735  -5.791   3.425
  272   1HD1  ILE  31          HD11      ILE  31 -20.708  -6.018   3.130
  273   2HD1  ILE  31          HD12      ILE  31 -20.786  -6.900   1.604
  274   3HD1  ILE  31          HD13      ILE  31 -22.079  -5.785   2.045
  275    H    SER  32           HN       SER  32 -17.011  -5.349  -1.111
  276    HA   SER  32           HA       SER  32 -17.266  -5.820  -3.314
  277   1HB   SER  32          HB2       SER  32 -19.907  -4.349  -3.136
  278   2HB   SER  32          HB1       SER  32 -19.392  -5.414  -4.445
  279    HG   SER  32           HG       SER  32 -20.458  -6.806  -3.231
  280    H    LYS  33           HN       LYS  33 -17.921  -2.535  -2.296
  281    HA   LYS  33           HA       LYS  33 -17.235  -1.178  -4.673
  282   1HB   LYS  33          HB2       LYS  33 -18.392  -0.169  -2.731
  283   2HB   LYS  33          HB1       LYS  33 -16.933  -0.338  -1.778
  284   1HG   LYS  33          HG2       LYS  33 -17.201   1.940  -2.471
  285   2HG   LYS  33          HG1       LYS  33 -15.796   1.241  -3.276
  286   1HD   LYS  33          HD2       LYS  33 -16.897   1.120  -5.337
  287   2HD   LYS  33          HD1       LYS  33 -18.488   1.297  -4.595
  288   1HE   LYS  33          HE2       LYS  33 -16.430   3.473  -4.423
  289   2HE   LYS  33          HE1       LYS  33 -17.492   3.323  -5.824
  290   1HZ   LYS  33          HZ1       LYS  33 -19.386   3.669  -4.488
  291   2HZ   LYS  33          HZ2       LYS  33 -18.275   4.856  -4.019
  292   3HZ   LYS  33          HZ3       LYS  33 -18.521   3.491  -3.042
  293    H    TRP  34           HN       TRP  34 -15.416  -2.950  -2.422
  294    HA   TRP  34           HA       TRP  34 -12.882  -1.848  -2.460
  295   1HB   TRP  34          HB2       TRP  34 -13.630  -4.778  -2.530
  296   2HB   TRP  34          HB1       TRP  34 -12.053  -4.148  -2.077
  297    HD1  TRP  34           HD1      TRP  34 -13.793  -1.712  -0.368
  298    HE1  TRP  34           HE1      TRP  34 -14.482  -2.378   2.020
  299    HE3  TRP  34           HE3      TRP  34 -13.332  -6.783  -0.779
  300    HZ2  TRP  34           HZ2      TRP  34 -14.790  -4.742   3.527
  301    HZ3  TRP  34           HZ3      TRP  34 -13.842  -8.175   1.181
  302    HH2  TRP  34           HH2      TRP  34 -14.555  -7.175   3.291
  303    H    ILE  35           HN       ILE  35 -14.469  -3.854  -4.878
  304    HA   ILE  35           HA       ILE  35 -12.213  -4.536  -6.392
  305    HB   ILE  35           HB       ILE  35 -15.134  -4.362  -7.104
  306   1HG1  ILE  35          HG12      ILE  35 -14.812  -6.860  -7.338
  307   2HG1  ILE  35          HG11      ILE  35 -13.194  -6.646  -6.687
  308   1HG2  ILE  35          HG21      ILE  35 -12.915  -5.281  -8.928
  309   2HG2  ILE  35          HG22      ILE  35 -13.918  -3.846  -9.145
  310   3HG2  ILE  35          HG23      ILE  35 -14.643  -5.450  -9.239
  311   1HD1  ILE  35          HD11      ILE  35 -15.776  -6.019  -5.274
  312   2HD1  ILE  35          HD12      ILE  35 -14.161  -5.769  -4.614
  313   3HD1  ILE  35          HD13      ILE  35 -14.723  -7.401  -4.973
  314    H    ASP  36           HN       ASP  36 -14.265  -1.688  -6.456
  315    HA   ASP  36           HA       ASP  36 -13.306  -0.636  -8.911
  316   1HB   ASP  36          HB2       ASP  36 -15.437   0.046  -7.789
  317   2HB   ASP  36          HB1       ASP  36 -14.480   0.883  -6.571
  318    H    PHE  37           HN       PHE  37 -12.430  -0.074  -5.521
  319    HA   PHE  37           HA       PHE  37 -10.363   1.792  -6.045
  320   1HB   PHE  37          HB2       PHE  37 -10.770  -0.056  -3.685
  321   2HB   PHE  37          HB1       PHE  37  -9.577   1.236  -3.743
  322    HD1  PHE  37           HD1      PHE  37 -10.577   3.610  -4.344
  323    HD2  PHE  37           HD2      PHE  37 -12.795   0.370  -2.701
  324    HE1  PHE  37           HE1      PHE  37 -12.250   5.197  -3.480
  325    HE2  PHE  37           HE2      PHE  37 -14.471   1.950  -1.838
  326    HZ   PHE  37           HZ       PHE  37 -14.201   4.366  -2.230
  327    H    SER  38           HN       SER  38 -10.446  -1.719  -5.796
  328    HA   SER  38           HA       SER  38  -7.654  -2.135  -5.871
  329   1HB   SER  38          HB2       SER  38  -9.373  -3.842  -5.193
  330   2HB   SER  38          HB1       SER  38  -9.795  -4.018  -6.896
  331    HG   SER  38           HG       SER  38  -7.328  -4.369  -7.034
  332    H    ASN  39           HN       ASN  39 -10.075  -1.662  -8.376
  333    HA   ASN  39           HA       ASN  39  -8.483  -2.284 -10.615
  334   1HB   ASN  39          HB2       ASN  39 -10.946  -0.692 -10.148
  335   2HB   ASN  39          HB1       ASN  39 -10.045  -0.332 -11.616
  336   1HD2  ASN  39          HD21      ASN  39 -11.890  -2.720  -9.895
  337   2HD2  ASN  39          HD22      ASN  39 -12.154  -3.770 -11.247
  338    H    VAL  40           HN       VAL  40  -8.964   0.719  -8.808
  339    HA   VAL  40           HA       VAL  40  -7.269   2.345 -10.359
  340    HB   VAL  40           HB       VAL  40  -7.790   2.581  -7.391
  341   1HG1  VAL  40          HG11      VAL  40  -5.947   3.977  -8.098
  342   2HG1  VAL  40          HG12      VAL  40  -7.361   4.983  -7.763
  343   3HG1  VAL  40          HG13      VAL  40  -6.908   4.620  -9.429
  344   1HG2  VAL  40          HG21      VAL  40  -9.328   3.726  -9.718
  345   2HG2  VAL  40          HG22      VAL  40  -9.610   4.105  -8.018
  346   3HG2  VAL  40          HG23      VAL  40  -9.884   2.467  -8.615
  347    H    LEU  41           HN       LEU  41  -6.598   0.414  -7.445
  348    HA   LEU  41           HA       LEU  41  -3.878   1.156  -7.227
  349   1HB   LEU  41          HB2       LEU  41  -5.290  -1.303  -6.196
  350   2HB   LEU  41          HB1       LEU  41  -3.680  -0.796  -5.721
  351    HG   LEU  41           HG       LEU  41  -6.243   0.716  -5.195
  352   1HD1  LEU  41          HD11      LEU  41  -4.362  -0.737  -3.339
  353   2HD1  LEU  41          HD12      LEU  41  -5.972  -1.281  -3.816
  354   3HD1  LEU  41          HD13      LEU  41  -5.784   0.188  -2.859
  355   1HD2  LEU  41          HD21      LEU  41  -4.854   2.244  -3.895
  356   2HD2  LEU  41          HD22      LEU  41  -4.362   2.235  -5.589
  357   3HD2  LEU  41          HD23      LEU  41  -3.408   1.366  -4.387
  358    H    SER  42           HN       SER  42  -5.484  -1.184  -9.202
  359    HA   SER  42           HA       SER  42  -3.325  -2.911  -9.737
  360   1HB   SER  42          HB2       SER  42  -5.683  -3.431 -10.290
  361   2HB   SER  42          HB1       SER  42  -5.657  -2.182 -11.530
  362    HG   SER  42           HG       SER  42  -3.973  -4.472 -11.473
  363    H    ARG  43           HN       ARG  43  -3.977   0.305 -10.699
  364    HA   ARG  43           HA       ARG  43  -2.031   0.162 -12.896
  365   1HB   ARG  43          HB2       ARG  43  -4.078   2.264 -12.170
  366   2HB   ARG  43          HB1       ARG  43  -2.915   2.431 -13.478
  367   1HG   ARG  43          HG2       ARG  43  -3.883   0.610 -14.674
  368   2HG   ARG  43          HG1       ARG  43  -4.928   0.204 -13.311
  369   1HD   ARG  43          HD2       ARG  43  -6.109   1.420 -15.109
  370   2HD   ARG  43          HD1       ARG  43  -6.146   2.264 -13.562
  371    HE   ARG  43           HE       ARG  43  -4.322   3.686 -14.476
  372   1HH1  ARG  43          HH11      ARG  43  -6.462   1.974 -16.659
  373   2HH1  ARG  43          HH12      ARG  43  -6.254   3.107 -17.958
  374   1HH2  ARG  43          HH21      ARG  43  -4.034   5.170 -16.190
  375   2HH2  ARG  43          HH22      ARG  43  -4.884   4.924 -17.684
  376    H    LEU  44           HN       LEU  44  -1.651   0.360  -9.826
  377    HA   LEU  44           HA       LEU  44  -0.057   2.840  -9.796
  378   1HB   LEU  44          HB2       LEU  44  -1.946   2.752  -8.196
  379   2HB   LEU  44          HB1       LEU  44  -1.240   1.322  -7.469
  380    HG   LEU  44           HG       LEU  44   0.784   2.736  -6.919
  381   1HD1  LEU  44          HD11      LEU  44   0.392   4.537  -8.504
  382   2HD1  LEU  44          HD12      LEU  44   0.447   5.157  -6.854
  383   3HD1  LEU  44          HD13      LEU  44  -1.104   4.961  -7.670
  384   1HD2  LEU  44          HD21      LEU  44  -1.861   3.512  -5.704
  385   2HD2  LEU  44          HD22      LEU  44  -0.276   3.744  -4.967
  386   3HD2  LEU  44          HD23      LEU  44  -0.885   2.114  -5.258
  387    H    TYR  45           HN       TYR  45   2.070   2.750  -9.333
  388    HA   TYR  45           HA       TYR  45   3.163   0.247  -8.225
  389   1HB   TYR  45          HB2       TYR  45   4.425   2.032 -10.323
  390   2HB   TYR  45          HB1       TYR  45   5.276   0.744  -9.481
  391    HD1  TYR  45           HD2      TYR  45   3.788  -1.570  -9.551
  392    HD2  TYR  45           HD1      TYR  45   3.809   1.522 -12.469
  393    HE1  TYR  45           HE2      TYR  45   3.058  -3.184 -11.254
  394    HE2  TYR  45           HE1      TYR  45   3.073  -0.083 -14.183
  395    HH   TYR  45           HH       TYR  45   3.269  -2.682 -14.488
  396    H    VAL  46           HN       VAL  46   3.404   0.872  -6.132
  397    HA   VAL  46           HA       VAL  46   4.133   3.580  -5.474
  398    HB   VAL  46           HB       VAL  46   2.537   2.513  -4.033
  399   1HG1  VAL  46          HG11      VAL  46   3.085   0.554  -2.667
  400   2HG1  VAL  46          HG12      VAL  46   4.646   0.429  -3.479
  401   3HG1  VAL  46          HG13      VAL  46   3.156   0.189  -4.392
  402   1HG2  VAL  46          HG21      VAL  46   4.029   4.098  -2.959
  403   2HG2  VAL  46          HG22      VAL  46   5.190   2.813  -2.627
  404   3HG2  VAL  46          HG23      VAL  46   3.613   2.799  -1.840
  405    H    GLY  47           HN       GLY  47   6.112   4.341  -5.148
  406   1HA   GLY  47          HA2       GLY  47   8.286   2.365  -5.009
  407   2HA   GLY  47          HA1       GLY  47   8.434   3.963  -5.729
  408    H    VAL  48           HN       VAL  48  10.348   3.361  -4.085
  409    HA   VAL  48           HA       VAL  48  11.552   4.261  -2.383
  410    HB   VAL  48           HB       VAL  48   9.046   5.850  -1.807
  411   1HG1  VAL  48          HG11      VAL  48  11.828   6.198  -0.691
  412   2HG1  VAL  48          HG12      VAL  48  10.408   5.659   0.206
  413   3HG1  VAL  48          HG13      VAL  48  10.471   7.298  -0.441
  414   1HG2  VAL  48          HG21      VAL  48  10.044   6.352  -3.970
  415   2HG2  VAL  48          HG22      VAL  48  11.613   6.596  -3.204
  416   3HG2  VAL  48          HG23      VAL  48  10.280   7.695  -2.851
  417    HA   PRO  49           HA       PRO  49  10.635   1.396   0.967
  418   1HB   PRO  49          HB2       PRO  49  12.619   3.146   2.342
  419   2HB   PRO  49          HB1       PRO  49  12.588   1.385   2.185
  420   1HG   PRO  49          HG2       PRO  49  14.292   2.827   0.749
  421   2HG   PRO  49          HG1       PRO  49  13.466   1.430   0.034
  422   1HD   PRO  49          HD2       PRO  49  12.904   4.344  -0.313
  423   2HD   PRO  49          HD1       PRO  49  12.854   3.037  -1.511
  424    H    THR  50           HN       THR  50   8.808   1.683   2.075
  425    HA   THR  50           HA       THR  50   8.366   4.243   3.443
  426    HB   THR  50           HB       THR  50   5.883   3.571   3.163
  427    HG1  THR  50           HG1      THR  50   5.588   2.315   1.203
  428   1HG2  THR  50          HG21      THR  50   7.519   4.423   0.768
  429   2HG2  THR  50          HG22      THR  50   6.907   5.485   2.036
  430   3HG2  THR  50          HG23      THR  50   5.782   4.655   0.962
  431    H    LYS  51           HN       LYS  51   6.672   4.001   5.242
  432    HA   LYS  51           HA       LYS  51   7.262   1.530   6.745
  433   1HB   LYS  51          HB2       LYS  51   8.403   3.701   7.510
  434   2HB   LYS  51          HB1       LYS  51   6.805   4.237   8.003
  435   1HG   LYS  51          HG2       LYS  51   6.626   2.400   9.559
  436   2HG   LYS  51          HG1       LYS  51   8.170   1.749   9.012
  437   1HD   LYS  51          HD2       LYS  51   9.288   3.790   9.805
  438   2HD   LYS  51          HD1       LYS  51   7.735   4.409  10.371
  439   1HE   LYS  51          HE2       LYS  51   9.102   1.895  11.330
  440   2HE   LYS  51          HE1       LYS  51   9.025   3.425  12.202
  441   1HZ   LYS  51          HZ1       LYS  51   7.371   1.850  13.000
  442   2HZ   LYS  51          HZ2       LYS  51   6.689   1.754  11.456
  443   3HZ   LYS  51          HZ3       LYS  51   6.627   3.212  12.316
  444    H    SER  52           HN       SER  52   5.615   1.231   8.587
  445    HA   SER  52           HA       SER  52   3.126   0.702   7.538
  446   1HB   SER  52          HB2       SER  52   2.516   0.775  10.135
  447   2HB   SER  52          HB1       SER  52   3.518  -0.502   9.444
  448    HG   SER  52           HG       SER  52   4.446   1.875  10.716
  449    H    GLY  53           HN       GLY  53   1.556   1.977   6.868
  450   1HA   GLY  53          HA2       GLY  53  -0.226   3.472   7.373
  451   2HA   GLY  53          HA1       GLY  53   0.825   4.287   8.524
  452    H    ASN  54           HN       ASN  54   2.035   3.438   5.384
  453    HA   ASN  54           HA       ASN  54   2.346   6.275   4.797
  454   1HB   ASN  54          HB2       ASN  54   3.832   5.610   3.000
  455   2HB   ASN  54          HB1       ASN  54   4.277   4.752   4.469
  456   1HD2  ASN  54          HD21      ASN  54   4.022   2.542   4.576
  457   2HD2  ASN  54          HD22      ASN  54   3.692   1.581   3.174
  458    H    VAL  55           HN       VAL  55   1.273   7.369   3.257
  459    HA   VAL  55           HA       VAL  55  -1.092   6.052   2.202
  460    HB   VAL  55           HB       VAL  55  -0.316   8.968   1.994
  461   1HG1  VAL  55          HG11      VAL  55  -1.995   8.243   0.375
  462   2HG1  VAL  55          HG12      VAL  55  -2.690   9.328   1.580
  463   3HG1  VAL  55          HG13      VAL  55  -2.979   7.592   1.686
  464   1HG2  VAL  55          HG21      VAL  55  -0.454   8.349   4.330
  465   2HG2  VAL  55          HG22      VAL  55  -2.016   7.576   4.057
  466   3HG2  VAL  55          HG23      VAL  55  -1.855   9.324   3.885
  467    H    VAL  56           HN       VAL  56  -1.226   5.305   0.181
  468    HA   VAL  56           HA       VAL  56   0.712   6.248  -1.806
  469    HB   VAL  56           HB       VAL  56  -0.092   4.380  -3.222
  470   1HG1  VAL  56          HG11      VAL  56   0.894   2.577  -1.870
  471   2HG1  VAL  56          HG12      VAL  56   0.803   3.617  -0.448
  472   3HG1  VAL  56          HG13      VAL  56   1.839   4.064  -1.804
  473   1HG2  VAL  56          HG21      VAL  56  -1.527   2.647  -2.271
  474   2HG2  VAL  56          HG22      VAL  56  -2.372   4.193  -2.347
  475   3HG2  VAL  56          HG23      VAL  56  -1.737   3.612  -0.809
  476    H    CYS  57           HN       CYS  57  -2.747   6.010  -1.212
  477    HA   CYS  57           HA       CYS  57  -3.139   8.100  -3.235
  478   1HB   CYS  57          HB2       CYS  57  -4.998   5.758  -2.735
  479   2HB   CYS  57          HB1       CYS  57  -5.302   7.091  -3.846
  480    HG   CYS  57           HG       CYS  57  -2.501   6.109  -4.879
  481    H    LYS  58           HN       LYS  58  -3.528   9.851  -2.021
  482    HA   LYS  58           HA       LYS  58  -5.089   9.563   0.434
  483   1HB   LYS  58          HB2       LYS  58  -2.876  10.841   0.358
  484   2HB   LYS  58          HB1       LYS  58  -3.739  12.079  -0.545
  485   1HG   LYS  58          HG2       LYS  58  -5.260  12.413   1.306
  486   2HG   LYS  58          HG1       LYS  58  -4.483  11.113   2.208
  487   1HD   LYS  58          HD2       LYS  58  -2.347  12.451   2.047
  488   2HD   LYS  58          HD1       LYS  58  -3.330  13.784   1.434
  489   1HE   LYS  58          HE2       LYS  58  -3.656  12.403   4.097
  490   2HE   LYS  58          HE1       LYS  58  -2.952  13.998   3.836
  491   1HZ   LYS  58          HZ1       LYS  58  -5.049  14.839   3.123
  492   2HZ   LYS  58          HZ2       LYS  58  -5.308  14.008   4.580
  493   3HZ   LYS  58          HZ3       LYS  58  -5.745  13.291   3.111
  494    H    ASN  59           HN       ASN  59  -7.120  10.203   0.605
  495    HA   ASN  59           HA       ASN  59  -9.222  10.812  -0.037
  496   1HB   ASN  59          HB2       ASN  59  -7.737  13.064   0.080
  497   2HB   ASN  59          HB1       ASN  59  -8.227  13.129  -1.610
  498   1HD2  ASN  59          HD21      ASN  59  -9.271  13.234   1.687
  499   2HD2  ASN  59          HD22      ASN  59 -10.877  13.816   1.385
  500    H    ILE  60           HN       ILE  60  -8.132   8.893  -1.596
  501    HA   ILE  60           HA       ILE  60  -7.487   9.203  -4.188
  502    HB   ILE  60           HB       ILE  60  -7.299   7.075  -3.157
  503   1HG1  ILE  60          HG12      ILE  60  -9.287   6.871  -5.427
  504   2HG1  ILE  60          HG11      ILE  60  -7.550   7.088  -5.608
  505   1HG2  ILE  60          HG21      ILE  60  -9.239   7.164  -1.696
  506   2HG2  ILE  60          HG22      ILE  60  -9.208   5.656  -2.609
  507   3HG2  ILE  60          HG23      ILE  60 -10.310   6.949  -3.083
  508   1HD1  ILE  60          HD11      ILE  60  -7.171   4.919  -4.560
  509   2HD1  ILE  60          HD12      ILE  60  -8.198   4.781  -5.988
  510   3HD1  ILE  60          HD13      ILE  60  -8.911   4.703  -4.376
  511    H    MET  61           HN       MET  61 -10.865   8.768  -3.108
  512    HA   MET  61           HA       MET  61 -11.698  10.010  -5.631
  513   1HB   MET  61          HB2       MET  61 -12.805   7.457  -4.457
  514   2HB   MET  61          HB1       MET  61 -13.639   8.390  -5.693
  515   1HG   MET  61          HG2       MET  61 -10.900   7.171  -5.979
  516   2HG   MET  61          HG1       MET  61 -12.392   6.494  -6.627
  517   1HE   MET  61          HE1       MET  61  -9.781   7.049  -8.371
  518   2HE   MET  61          HE2       MET  61 -10.491   7.749  -9.825
  519   3HE   MET  61          HE3       MET  61 -11.263   6.370  -9.041
  520    H    ASN  62           HN       ASN  62 -11.446  11.409  -3.388
  521    HA   ASN  62           HA       ASN  62 -12.428  12.885  -2.023
  522   1HB   ASN  62          HB2       ASN  62 -14.354  14.023  -2.770
  523   2HB   ASN  62          HB1       ASN  62 -13.502  13.490  -4.205
  524   1HD2  ASN  62          HD21      ASN  62 -15.165  13.499  -5.588
  525   2HD2  ASN  62          HD22      ASN  62 -16.548  12.470  -5.459
  526    H    THR  63           HN       THR  63 -13.217   9.813  -1.736
  527    HA   THR  63           HA       THR  63 -15.491   9.989   0.003
  528    HB   THR  63           HB       THR  63 -15.177   7.939  -1.218
  529    HG1  THR  63           HG1      THR  63 -15.887   7.876   1.100
  530   1HG2  THR  63          HG21      THR  63 -12.756   8.021  -1.503
  531   2HG2  THR  63          HG22      THR  63 -13.263   6.457  -0.862
  532   3HG2  THR  63          HG23      THR  63 -12.534   7.656   0.209
  533    H    GLY  64           HN       GLY  64 -12.224  10.691   0.359
  534   1HA   GLY  64          HA2       GLY  64 -11.219  11.598   2.261
  535   2HA   GLY  64          HA1       GLY  64 -12.552  10.984   3.227
  536    H    VAL  65           HN       VAL  65 -11.804   8.407   1.493
  537    HA   VAL  65           HA       VAL  65 -10.225   7.225   3.589
  538    HB   VAL  65           HB       VAL  65 -11.329   6.088   1.017
  539   1HG1  VAL  65          HG11      VAL  65 -10.654   3.887   1.861
  540   2HG1  VAL  65          HG12      VAL  65  -9.836   4.662   3.218
  541   3HG1  VAL  65          HG13      VAL  65  -9.257   4.923   1.573
  542   1HG2  VAL  65          HG21      VAL  65 -12.825   4.873   2.495
  543   2HG2  VAL  65          HG22      VAL  65 -12.968   6.612   2.764
  544   3HG2  VAL  65          HG23      VAL  65 -12.057   5.612   3.899
  545    H    ASP  66           HN       ASP  66  -8.109   7.065   3.629
  546    HA   ASP  66           HA       ASP  66  -6.600   7.527   1.148
  547   1HB   ASP  66          HB2       ASP  66  -5.475   7.673   3.949
  548   2HB   ASP  66          HB1       ASP  66  -4.769   8.300   2.464
  549    H    ILE  67           HN       ILE  67  -5.580   5.838   0.313
  550    HA   ILE  67           HA       ILE  67  -5.681   3.315   1.721
  551    HB   ILE  67           HB       ILE  67  -4.536   3.941  -1.006
  552   1HG1  ILE  67          HG12      ILE  67  -6.901   4.457  -0.964
  553   2HG1  ILE  67          HG11      ILE  67  -6.667   2.947  -1.841
  554   1HG2  ILE  67          HG21      ILE  67  -3.624   1.885  -0.085
  555   2HG2  ILE  67          HG22      ILE  67  -4.740   1.527  -1.403
  556   3HG2  ILE  67          HG23      ILE  67  -5.252   1.301   0.269
  557   1HD1  ILE  67          HD11      ILE  67  -7.585   3.199   1.018
  558   2HD1  ILE  67          HD12      ILE  67  -7.370   1.691   0.126
  559   3HD1  ILE  67          HD13      ILE  67  -8.607   2.844  -0.375
  560    H    ILE  68           HN       ILE  68  -4.122   2.625   3.015
  561    HA   ILE  68           HA       ILE  68  -1.436   3.796   2.692
  562    HB   ILE  68           HB       ILE  68  -1.184   3.722   5.148
  563   1HG1  ILE  68          HG12      ILE  68  -4.142   3.071   5.151
  564   2HG1  ILE  68          HG11      ILE  68  -2.852   1.964   5.612
  565   1HG2  ILE  68          HG21      ILE  68  -1.828   5.798   4.074
  566   2HG2  ILE  68          HG22      ILE  68  -2.623   5.654   5.642
  567   3HG2  ILE  68          HG23      ILE  68  -3.528   5.341   4.161
  568   1HD1  ILE  68          HD11      ILE  68  -3.531   4.544   7.001
  569   2HD1  ILE  68          HD12      ILE  68  -2.260   3.414   7.470
  570   3HD1  ILE  68          HD13      ILE  68  -3.953   2.923   7.556
  571    H    CYS  69           HN       CYS  69   0.285   2.462   2.846
  572    HA   CYS  69           HA       CYS  69  -0.229  -0.396   3.079
  573   1HB   CYS  69          HB2       CYS  69   2.530   0.710   2.785
  574   2HB   CYS  69          HB1       CYS  69   1.822  -0.739   2.080
  575    HG   CYS  69           HG       CYS  69   2.004   2.360   0.851
  576    H    THR  70           HN       THR  70   0.453  -1.651   4.796
  577    HA   THR  70           HA       THR  70   1.324  -0.098   7.139
  578    HB   THR  70           HB       THR  70  -0.846  -1.187   7.414
  579    HG1  THR  70           HG1      THR  70   1.318  -2.255   8.916
  580   1HG2  THR  70          HG21      THR  70   0.631  -3.771   6.891
  581   2HG2  THR  70          HG22      THR  70  -0.581  -3.034   5.843
  582   3HG2  THR  70          HG23      THR  70  -1.042  -3.641   7.434
  583    H    LYS  71           HN       LYS  71   2.887  -1.622   4.907
  584    HA   LYS  71           HA       LYS  71   4.445  -3.411   6.612
  585   1HB   LYS  71          HB2       LYS  71   4.012  -3.126   3.709
  586   2HB   LYS  71          HB1       LYS  71   5.638  -3.592   4.190
  587   1HG   LYS  71          HG2       LYS  71   3.156  -5.022   5.095
  588   2HG   LYS  71          HG1       LYS  71   4.101  -5.484   3.678
  589   1HD   LYS  71          HD2       LYS  71   6.050  -5.858   5.045
  590   2HD   LYS  71          HD1       LYS  71   5.194  -5.283   6.479
  591   1HE   LYS  71          HE2       LYS  71   3.610  -7.146   6.264
  592   2HE   LYS  71          HE1       LYS  71   4.489  -7.721   4.848
  593   1HZ   LYS  71          HZ1       LYS  71   6.428  -8.073   6.220
  594   2HZ   LYS  71          HZ2       LYS  71   5.107  -8.925   6.859
  595   3HZ   LYS  71          HZ3       LYS  71   5.619  -7.479   7.586
  596    H    ASN  72           HN       ASN  72   6.572  -3.109   7.075
  597    HA   ASN  72           HA       ASN  72   7.623  -0.418   6.601
  598   1HB   ASN  72          HB2       ASN  72   8.483  -2.601   8.520
  599   2HB   ASN  72          HB1       ASN  72   9.360  -1.091   8.307
  600   1HD2  ASN  72          HD21      ASN  72   5.862  -1.402   8.276
  601   2HD2  ASN  72          HD22      ASN  72   5.579  -0.528   9.745
  602    H    LEU  73           HN       LEU  73   8.618  -0.333   4.688
  603    HA   LEU  73           HA       LEU  73  10.169  -2.660   3.802
  604   1HB   LEU  73          HB2       LEU  73   9.350  -0.228   2.207
  605   2HB   LEU  73          HB1       LEU  73  10.049  -1.706   1.576
  606    HG   LEU  73           HG       LEU  73   7.283  -1.307   2.695
  607   1HD1  LEU  73          HD11      LEU  73   6.594  -2.186   0.523
  608   2HD1  LEU  73          HD12      LEU  73   8.285  -2.251   0.025
  609   3HD1  LEU  73          HD13      LEU  73   7.529  -0.697   0.380
  610   1HD2  LEU  73          HD21      LEU  73   8.184  -3.384   3.592
  611   2HD2  LEU  73          HD22      LEU  73   8.615  -3.901   1.961
  612   3HD2  LEU  73          HD23      LEU  73   6.920  -3.692   2.402
  613    HA   PRO  74           HA       PRO  74  13.750  -0.063   4.634
  614   1HB   PRO  74          HB2       PRO  74  15.451  -2.044   5.174
  615   2HB   PRO  74          HB1       PRO  74  14.169  -1.617   6.315
  616   1HG   PRO  74          HG2       PRO  74  14.349  -3.926   4.447
  617   2HG   PRO  74          HG1       PRO  74  13.610  -3.835   6.053
  618   1HD   PRO  74          HD2       PRO  74  12.281  -3.647   3.566
  619   2HD   PRO  74          HD1       PRO  74  11.593  -3.306   5.165
  620    H    LYS  75           HN       LYS  75  16.198  -0.540   3.835
  621    HA   LYS  75           HA       LYS  75  16.004  -1.183   0.974
  622   1HB   LYS  75          HB2       LYS  75  17.993   0.548   2.440
  623   2HB   LYS  75          HB1       LYS  75  18.158   0.081   0.755
  624   1HG   LYS  75          HG2       LYS  75  15.925   1.165   0.352
  625   2HG   LYS  75          HG1       LYS  75  16.043   1.816   1.988
  626   1HD   LYS  75          HD2       LYS  75  16.909   3.539   0.704
  627   2HD   LYS  75          HD1       LYS  75  18.361   2.680   1.214
  628   1HE   LYS  75          HE2       LYS  75  16.969   2.395  -1.451
  629   2HE   LYS  75          HE1       LYS  75  18.462   3.277  -1.158
  630   1HZ   LYS  75          HZ1       LYS  75  19.511   1.175  -0.502
  631   2HZ   LYS  75          HZ2       LYS  75  18.926   1.116  -2.092
  632   3HZ   LYS  75          HZ3       LYS  75  18.075   0.348  -0.850
  633    H    ASP  76           HN       ASP  76  16.392  -3.303   0.879
  634    HA   ASP  76           HA       ASP  76  17.627  -5.192   0.667
  635   1HB   ASP  76          HB2       ASP  76  20.028  -3.455   1.283
  636   2HB   ASP  76          HB1       ASP  76  20.036  -5.010   0.461
  637    H    SER  77           HN       SER  77  19.762  -6.258   1.959
  638    HA   SER  77           HA       SER  77  18.787  -6.414   4.709
  639   1HB   SER  77          HB2       SER  77  20.282  -8.520   4.708
  640   2HB   SER  77          HB1       SER  77  18.801  -8.565   3.751
  641    HG   SER  77           HG       SER  77  21.391  -7.955   2.744
  642    H    LEU  78           HN       LEU  78  19.780  -4.538   5.476
  643    HA   LEU  78           HA       LEU  78  22.704  -4.472   5.499
  644   1HB   LEU  78          HB2       LEU  78  20.702  -2.459   6.535
  645   2HB   LEU  78          HB1       LEU  78  22.438  -2.231   6.468
  646    HG   LEU  78           HG       LEU  78  20.643  -2.581   4.064
  647   1HD1  LEU  78          HD11      LEU  78  20.238  -0.463   5.196
  648   2HD1  LEU  78          HD12      LEU  78  21.073  -0.207   3.665
  649   3HD1  LEU  78          HD13      LEU  78  21.966  -0.112   5.183
  650   1HD2  LEU  78          HD21      LEU  78  22.618  -1.910   2.787
  651   2HD2  LEU  78          HD22      LEU  78  22.909  -3.402   3.681
  652   3HD2  LEU  78          HD23      LEU  78  23.570  -1.877   4.270
  653    H    GLU  79           HN       GLU  79  19.988  -5.150   7.503
  654    HA   GLU  79           HA       GLU  79  21.572  -6.165   9.634
  655   1HB   GLU  79          HB2       GLU  79  21.270  -3.453   9.782
  656   2HB   GLU  79          HB1       GLU  79  19.849  -3.992  10.664
  657   1HG   GLU  79          HG2       GLU  79  22.683  -4.792  11.288
  658   2HG   GLU  79          HG1       GLU  79  21.773  -3.529  12.116
  659    H    HIS  80           HN       HIS  80  20.228  -7.258  11.212
  660    HA   HIS  80           HA       HIS  80  17.821  -8.266  10.037
  661   1HB   HIS  80          HB2       HIS  80  17.774  -9.857  11.760
  662   2HB   HIS  80          HB1       HIS  80  19.486  -9.562  11.500
  663    HD1  HIS  80           HD1      HIS  80  20.439  -7.590  13.312
  664    HD2  HIS  80           HD2      HIS  80  17.127  -9.885  14.361
  665    HE1  HIS  80           HE1      HIS  80  20.285  -7.461  15.816
  666    HE2  HIS  80           HE2      HIS  80  18.386  -8.990  16.443
  667    H    HIS  81           HN       HIS  81  18.561  -5.701  12.133
  668    HA   HIS  81           HA       HIS  81  17.311  -4.027  12.990
  669   1HB   HIS  81          HB2       HIS  81  15.023  -5.417  11.592
  670   2HB   HIS  81          HB1       HIS  81  14.872  -3.880  12.433
  671    HD1  HIS  81           HD1      HIS  81  15.665  -5.318   9.189
  672    HD2  HIS  81           HD2      HIS  81  16.542  -1.786  11.216
  673    HE1  HIS  81           HE1      HIS  81  16.396  -3.683   7.423
  674    HE2  HIS  81           HE2      HIS  81  16.997  -1.572   8.669
  675    H    HIS  82           HN       HIS  82  15.542  -3.591  14.599
  676    HA   HIS  82           HA       HIS  82  14.742  -5.936  16.130
  677   1HB   HIS  82          HB2       HIS  82  15.501  -4.791  18.272
  678   2HB   HIS  82          HB1       HIS  82  16.765  -5.486  17.268
  679    HD1  HIS  82           HD1      HIS  82  18.631  -3.969  16.578
  680    HD2  HIS  82           HD2      HIS  82  15.367  -1.877  18.101
  681    HE1  HIS  82           HE1      HIS  82  19.382  -1.579  16.767
  682    HE2  HIS  82           HE2      HIS  82  17.344  -0.305  17.513
  683    H    HIS  83           HN       HIS  83  12.713  -5.787  16.712
  684    HA   HIS  83           HA       HIS  83  11.400  -3.166  16.687
  685   1HB   HIS  83          HB2       HIS  83  10.373  -5.078  15.439
  686   2HB   HIS  83          HB1       HIS  83  10.170  -5.924  16.969
  687    HD1  HIS  83           HD1      HIS  83   7.662  -5.969  17.074
  688    HD2  HIS  83           HD2      HIS  83   9.165  -2.145  16.407
  689    HE1  HIS  83           HE1      HIS  83   5.694  -4.419  17.288
  690    HE2  HIS  83           HE2      HIS  83   6.653  -2.102  17.031
  691    H    HIS  84           HN       HIS  84  12.728  -5.482  18.755
  692    HA   HIS  84           HA       HIS  84  11.445  -4.265  21.107
  693   1HB   HIS  84          HB2       HIS  84  13.138  -6.770  20.889
  694   2HB   HIS  84          HB1       HIS  84  12.435  -6.149  22.377
  695    HD1  HIS  84           HD1      HIS  84  11.799  -8.981  21.281
  696    HD2  HIS  84           HD2      HIS  84   9.457  -5.600  20.648
  697    HE1  HIS  84           HE1      HIS  84   9.489  -9.841  20.760
  698    HE2  HIS  84           HE2      HIS  84   8.122  -7.782  20.251
  699    H    HIS  85           HN       HIS  85  13.347  -4.513  23.006
  700    HA   HIS  85           HA       HIS  85  15.566  -2.895  21.946
  701   1HB   HIS  85          HB2       HIS  85  14.141  -1.596  23.448
  702   2HB   HIS  85          HB1       HIS  85  14.315  -2.821  24.703
  703    HD1  HIS  85           HD1      HIS  85  16.244  -2.564  26.270
  704    HD2  HIS  85           HD2      HIS  85  16.652  -0.207  22.866
  705    HE1  HIS  85           HE1      HIS  85  18.263  -1.119  26.680
  706    HE2  HIS  85           HE2      HIS  85  18.591   0.169  24.540
  Start of MODEL   17
    1   1H    MET   1          HT1       MET   1 -23.645  -0.555  11.192
    2   2H    MET   1          HT2       MET   1 -24.854  -1.505  10.489
    3   3H    MET   1          HT3       MET   1 -25.082   0.169  10.643
    4    HA   MET   1           HA       MET   1 -24.554  -0.314   8.385
    5   1HB   MET   1          HB2       MET   1 -22.160   0.839   9.840
    6   2HB   MET   1          HB1       MET   1 -22.485   1.014   8.122
    7   1HG   MET   1          HG2       MET   1 -24.541   2.234   8.646
    8   2HG   MET   1          HG1       MET   1 -24.183   2.085  10.365
    9   1HE   MET   1          HE1       MET   1 -21.642   4.515   7.376
   10   2HE   MET   1          HE2       MET   1 -23.160   3.728   6.953
   11   3HE   MET   1          HE3       MET   1 -21.743   2.754   7.349
   12    H    HIS   2           HN       HIS   2 -22.779  -0.990   6.860
   13    HA   HIS   2           HA       HIS   2 -21.108  -3.150   7.927
   14   1HB   HIS   2          HB2       HIS   2 -23.285  -4.120   7.095
   15   2HB   HIS   2          HB1       HIS   2 -22.866  -3.526   5.493
   16    HD1  HIS   2           HD1      HIS   2 -22.070  -6.195   7.958
   17    HD2  HIS   2           HD2      HIS   2 -20.816  -4.971   4.185
   18    HE1  HIS   2           HE1      HIS   2 -20.709  -8.106   7.044
   19    HE2  HIS   2           HE2      HIS   2 -19.974  -7.360   4.747
   20    H    LYS   3           HN       LYS   3 -19.445  -1.598   7.562
   21    HA   LYS   3           HA       LYS   3 -18.572  -1.580   4.756
   22   1HB   LYS   3          HB2       LYS   3 -18.325   0.723   6.707
   23   2HB   LYS   3          HB1       LYS   3 -17.526   0.651   5.143
   24   1HG   LYS   3          HG2       LYS   3 -19.796   0.451   4.097
   25   2HG   LYS   3          HG1       LYS   3 -20.480   0.784   5.688
   26   1HD   LYS   3          HD2       LYS   3 -19.307   2.930   5.746
   27   2HD   LYS   3          HD1       LYS   3 -18.609   2.596   4.160
   28   1HE   LYS   3          HE2       LYS   3 -20.926   2.441   3.253
   29   2HE   LYS   3          HE1       LYS   3 -21.527   2.955   4.826
   30   1HZ   LYS   3          HZ1       LYS   3 -21.368   4.790   3.258
   31   2HZ   LYS   3          HZ2       LYS   3 -19.701   4.533   3.090
   32   3HZ   LYS   3          HZ3       LYS   3 -20.338   5.030   4.584
   33    H    ASP   4           HN       ASP   4 -16.500  -2.211   4.454
   34    HA   ASP   4           HA       ASP   4 -15.093  -3.067   6.899
   35   1HB   ASP   4          HB2       ASP   4 -16.146  -4.746   5.123
   36   2HB   ASP   4          HB1       ASP   4 -14.635  -4.427   4.280
   37    H    ILE   5           HN       ILE   5 -12.779  -3.066   6.837
   38    HA   ILE   5           HA       ILE   5 -11.658  -0.826   5.449
   39    HB   ILE   5           HB       ILE   5 -10.323  -2.984   7.095
   40   1HG1  ILE   5          HG12      ILE   5 -11.919  -1.611   8.366
   41   2HG1  ILE   5          HG11      ILE   5 -10.261  -1.312   8.877
   42   1HG2  ILE   5          HG21      ILE   5  -8.409  -1.448   7.235
   43   2HG2  ILE   5          HG22      ILE   5  -9.211  -0.368   6.093
   44   3HG2  ILE   5          HG23      ILE   5  -8.720  -1.983   5.582
   45   1HD1  ILE   5          HD11      ILE   5 -10.221   0.747   7.600
   46   2HD1  ILE   5          HD12      ILE   5 -11.565   0.742   8.741
   47   3HD1  ILE   5          HD13      ILE   5 -11.861   0.441   7.029
   48    H    PHE   6           HN       PHE   6 -11.215  -0.934   3.315
   49    HA   PHE   6           HA       PHE   6 -10.714  -3.322   1.903
   50   1HB   PHE   6          HB2       PHE   6 -11.481  -1.346   0.742
   51   2HB   PHE   6          HB1       PHE   6 -10.039  -0.457   1.211
   52    HD1  PHE   6           HD1      PHE   6 -11.167  -3.405  -0.749
   53    HD2  PHE   6           HD2      PHE   6  -8.189  -0.421  -0.186
   54    HE1  PHE   6           HE1      PHE   6 -10.069  -4.114  -2.834
   55    HE2  PHE   6           HE2      PHE   6  -7.086  -1.121  -2.269
   56    HZ   PHE   6           HZ       PHE   6  -8.025  -2.970  -3.594
   57    H    THR   7           HN       THR   7  -9.093  -4.601   2.543
   58    HA   THR   7           HA       THR   7  -6.401  -3.430   2.731
   59    HB   THR   7           HB       THR   7  -5.799  -5.605   3.862
   60    HG1  THR   7           HG1      THR   7  -7.833  -6.620   2.997
   61   1HG2  THR   7          HG21      THR   7  -6.209  -3.588   5.170
   62   2HG2  THR   7          HG22      THR   7  -6.822  -5.007   6.019
   63   3HG2  THR   7          HG23      THR   7  -7.939  -3.928   5.182
   64    H    SER   8           HN       SER   8  -5.078  -3.817   1.058
   65    HA   SER   8           HA       SER   8  -5.426  -6.242  -0.544
   66   1HB   SER   8          HB2       SER   8  -6.806  -4.394  -1.561
   67   2HB   SER   8          HB1       SER   8  -5.315  -3.487  -1.797
   68    HG   SER   8           HG       SER   8  -5.892  -4.638  -3.670
   69    H    VAL   9           HN       VAL   9  -3.627  -5.638  -2.560
   70    HA   VAL   9           HA       VAL   9  -1.145  -4.904  -1.163
   71    HB   VAL   9           HB       VAL   9  -1.442  -7.314  -2.978
   72   1HG1  VAL   9          HG11      VAL   9   0.951  -6.326  -1.434
   73   2HG1  VAL   9          HG12      VAL   9   0.732  -6.199  -3.179
   74   3HG1  VAL   9          HG13      VAL   9   0.878  -7.785  -2.420
   75   1HG2  VAL   9          HG21      VAL   9  -0.897  -8.634  -0.963
   76   2HG2  VAL   9          HG22      VAL   9  -2.430  -7.775  -0.817
   77   3HG2  VAL   9          HG23      VAL   9  -0.994  -7.161   0.001
   78    H    VAL  10           HN       VAL  10   0.076  -3.518  -2.314
   79    HA   VAL  10           HA       VAL  10  -0.598  -3.166  -5.162
   80    HB   VAL  10           HB       VAL  10  -1.072  -1.199  -3.694
   81   1HG1  VAL  10          HG11      VAL  10   0.728  -1.440  -2.097
   82   2HG1  VAL  10          HG12      VAL  10   0.804   0.144  -2.866
   83   3HG1  VAL  10          HG13      VAL  10   1.921  -1.128  -3.359
   84   1HG2  VAL  10          HG21      VAL  10  -0.679  -0.875  -6.068
   85   2HG2  VAL  10          HG22      VAL  10   1.058  -0.772  -5.786
   86   3HG2  VAL  10          HG23      VAL  10  -0.015   0.472  -5.145
   87    H    ARG  11           HN       ARG  11   1.165  -2.720  -6.618
   88    HA   ARG  11           HA       ARG  11   3.515  -4.269  -5.860
   89   1HB   ARG  11          HB2       ARG  11   2.751  -3.246  -8.602
   90   2HB   ARG  11          HB1       ARG  11   3.927  -4.500  -8.221
   91   1HG   ARG  11          HG2       ARG  11   2.115  -5.901  -7.322
   92   2HG   ARG  11          HG1       ARG  11   0.953  -4.656  -7.768
   93   1HD   ARG  11          HD2       ARG  11   1.758  -4.918 -10.142
   94   2HD   ARG  11          HD1       ARG  11   2.653  -6.338  -9.594
   95    HE   ARG  11           HE       ARG  11  -0.271  -6.042  -9.672
   96   1HH1  ARG  11          HH11      ARG  11   2.561  -8.061  -9.260
   97   2HH1  ARG  11          HH12      ARG  11   1.663  -9.547  -9.211
   98   1HH2  ARG  11          HH21      ARG  11  -1.461  -7.985  -9.656
   99   2HH2  ARG  11          HH22      ARG  11  -0.636  -9.500  -9.447
  100    H    VAL  12           HN       VAL  12   5.563  -3.479  -5.795
  101    HA   VAL  12           HA       VAL  12   5.729  -0.533  -5.830
  102    HB   VAL  12           HB       VAL  12   7.357  -2.227  -3.966
  103   1HG1  VAL  12          HG11      VAL  12   6.337   0.603  -3.797
  104   2HG1  VAL  12          HG12      VAL  12   7.971   0.115  -4.251
  105   3HG1  VAL  12          HG13      VAL  12   7.377  -0.198  -2.619
  106   1HG2  VAL  12          HG21      VAL  12   5.655  -1.917  -2.231
  107   2HG2  VAL  12          HG22      VAL  12   5.065  -2.906  -3.567
  108   3HG2  VAL  12          HG23      VAL  12   4.570  -1.218  -3.432
  109    H    ARG  13           HN       ARG  13   7.345   0.359  -6.896
  110    HA   ARG  13           HA       ARG  13   9.608  -1.304  -7.778
  111   1HB   ARG  13          HB2       ARG  13   8.625   1.356  -8.846
  112   2HB   ARG  13          HB1       ARG  13  10.007   0.465  -9.461
  113   1HG   ARG  13          HG2       ARG  13   8.456  -1.390 -10.059
  114   2HG   ARG  13          HG1       ARG  13   7.113  -0.335  -9.598
  115   1HD   ARG  13          HD2       ARG  13   7.899   1.331 -11.239
  116   2HD   ARG  13          HD1       ARG  13   9.179   0.221 -11.725
  117    HE   ARG  13           HE       ARG  13   6.336   0.001 -12.325
  118   1HH1  ARG  13          HH11      ARG  13   9.547  -1.404 -12.498
  119   2HH1  ARG  13          HH12      ARG  13   9.118  -2.526 -13.755
  120   1HH2  ARG  13          HH21      ARG  13   5.792  -1.463 -14.000
  121   2HH2  ARG  13          HH22      ARG  13   6.995  -2.561 -14.602
  122    H    GLY  14           HN       GLY  14  11.654   0.228  -8.071
  123   1HA   GLY  14          HA2       GLY  14  12.804   2.195  -7.388
  124   2HA   GLY  14          HA1       GLY  14  11.672   2.367  -6.059
  125    H    SER  15           HN       SER  15  13.566   2.729  -4.768
  126    HA   SER  15           HA       SER  15  15.508   0.645  -4.444
  127   1HB   SER  15          HB2       SER  15  15.091   3.064  -2.680
  128   2HB   SER  15          HB1       SER  15  16.570   2.127  -2.887
  129    HG   SER  15           HG       SER  15  16.808   2.935  -4.935
  130    H    LYS  16           HN       LYS  16  13.856  -1.008  -3.913
  131    HA   LYS  16           HA       LYS  16  13.761  -1.288  -1.031
  132   1HB   LYS  16          HB2       LYS  16  11.283  -2.261  -1.546
  133   2HB   LYS  16          HB1       LYS  16  11.605  -0.655  -0.921
  134   1HG   LYS  16          HG2       LYS  16  10.252  -0.040  -2.604
  135   2HG   LYS  16          HG1       LYS  16  11.735  -0.137  -3.548
  136   1HD   LYS  16          HD2       LYS  16   9.870  -2.477  -3.249
  137   2HD   LYS  16          HD1       LYS  16   9.652  -1.259  -4.505
  138   1HE   LYS  16          HE2       LYS  16  11.951  -1.743  -5.300
  139   2HE   LYS  16          HE1       LYS  16  12.060  -3.027  -4.092
  140   1HZ   LYS  16          HZ1       LYS  16  10.386  -4.249  -5.166
  141   2HZ   LYS  16          HZ2       LYS  16  11.444  -3.745  -6.389
  142   3HZ   LYS  16          HZ3       LYS  16   9.954  -2.961  -6.177
  143    H    LYS  17           HN       LYS  17  13.015  -3.551  -0.422
  144    HA   LYS  17           HA       LYS  17  14.491  -5.359  -2.149
  145   1HB   LYS  17          HB2       LYS  17  14.622  -5.124   0.466
  146   2HB   LYS  17          HB1       LYS  17  13.239  -6.209   0.430
  147   1HG   LYS  17          HG2       LYS  17  14.577  -7.813  -0.883
  148   2HG   LYS  17          HG1       LYS  17  15.967  -6.736  -0.726
  149   1HD   LYS  17          HD2       LYS  17  15.638  -6.908   1.781
  150   2HD   LYS  17          HD1       LYS  17  14.512  -8.224   1.445
  151   1HE   LYS  17          HE2       LYS  17  16.637  -9.200   1.914
  152   2HE   LYS  17          HE1       LYS  17  16.342  -9.364   0.183
  153   1HZ   LYS  17          HZ1       LYS  17  17.929  -7.133   1.313
  154   2HZ   LYS  17          HZ2       LYS  17  17.868  -7.659  -0.301
  155   3HZ   LYS  17          HZ3       LYS  17  18.635  -8.607   0.875
  156    H    TYR  18           HN       TYR  18  11.252  -5.138  -0.707
  157    HA   TYR  18           HA       TYR  18  10.354  -7.487  -2.132
  158   1HB   TYR  18          HB2       TYR  18   8.865  -5.533  -0.370
  159   2HB   TYR  18          HB1       TYR  18   8.136  -6.959  -1.098
  160    HD1  TYR  18           HD1      TYR  18   9.188  -9.243  -0.493
  161    HD2  TYR  18           HD2      TYR  18   9.884  -5.673   1.707
  162    HE1  TYR  18           HE1      TYR  18   9.863 -10.582   1.454
  163    HE2  TYR  18           HE2      TYR  18  10.571  -7.003   3.658
  164    HH   TYR  18           HH       TYR  18  11.276 -10.296   3.490
  165    H    ASN  19           HN       ASN  19   8.510  -7.467  -3.581
  166    HA   ASN  19           HA       ASN  19   8.565  -5.059  -5.265
  167   1HB   ASN  19          HB2       ASN  19   7.942  -6.434  -7.120
  168   2HB   ASN  19          HB1       ASN  19   9.231  -7.275  -6.268
  169   1HD2  ASN  19          HD21      ASN  19   8.728  -9.141  -5.079
  170   2HD2  ASN  19          HD22      ASN  19   7.272 -10.027  -5.367
  171    H    VAL  20           HN       VAL  20   6.698  -6.400  -2.923
  172    HA   VAL  20           HA       VAL  20   4.340  -4.940  -3.836
  173    HB   VAL  20           HB       VAL  20   2.861  -6.815  -2.973
  174   1HG1  VAL  20          HG11      VAL  20   3.097  -6.304  -5.352
  175   2HG1  VAL  20          HG12      VAL  20   2.882  -8.032  -5.074
  176   3HG1  VAL  20          HG13      VAL  20   4.482  -7.391  -5.447
  177   1HG2  VAL  20          HG21      VAL  20   4.568  -8.086  -1.781
  178   2HG2  VAL  20          HG22      VAL  20   5.395  -8.423  -3.304
  179   3HG2  VAL  20          HG23      VAL  20   3.785  -9.083  -3.008
  180    H    VAL  21           HN       VAL  21   3.126  -4.039  -2.201
  181    HA   VAL  21           HA       VAL  21   3.804  -4.799   0.553
  182    HB   VAL  21           HB       VAL  21   5.005  -2.699   0.031
  183   1HG1  VAL  21          HG11      VAL  21   3.486  -1.755  -1.616
  184   2HG1  VAL  21          HG12      VAL  21   3.772  -0.616  -0.301
  185   3HG1  VAL  21          HG13      VAL  21   2.259  -1.522  -0.371
  186   1HG2  VAL  21          HG21      VAL  21   2.757  -2.439   2.020
  187   2HG2  VAL  21          HG22      VAL  21   4.175  -1.391   1.954
  188   3HG2  VAL  21          HG23      VAL  21   4.364  -3.108   2.311
  189    HA   PRO  22           HA       PRO  22  -0.655  -5.039   0.804
  190   1HB   PRO  22          HB2       PRO  22  -0.768  -5.423   3.508
  191   2HB   PRO  22          HB1       PRO  22  -0.422  -6.709   2.348
  192   1HG   PRO  22          HG2       PRO  22   1.463  -5.123   4.037
  193   2HG   PRO  22          HG1       PRO  22   1.489  -6.853   3.651
  194   1HD   PRO  22          HD2       PRO  22   3.099  -5.063   2.420
  195   2HD   PRO  22          HD1       PRO  22   2.475  -6.508   1.598
  196    H    VAL  23           HN       VAL  23  -2.033  -3.429   0.886
  197    HA   VAL  23           HA       VAL  23  -1.479  -1.133   2.643
  198    HB   VAL  23           HB       VAL  23  -2.731   0.256   1.026
  199   1HG1  VAL  23          HG11      VAL  23  -0.409  -1.245  -0.182
  200   2HG1  VAL  23          HG12      VAL  23  -0.302   0.152   0.887
  201   3HG1  VAL  23          HG13      VAL  23  -1.011   0.323  -0.717
  202   1HG2  VAL  23          HG21      VAL  23  -3.218  -0.636  -1.211
  203   2HG2  VAL  23          HG22      VAL  23  -4.136  -1.467   0.045
  204   3HG2  VAL  23          HG23      VAL  23  -2.721  -2.240  -0.670
  205    H    LYS  24           HN       LYS  24  -3.421   0.058   3.319
  206    HA   LYS  24           HA       LYS  24  -5.850  -1.568   3.486
  207   1HB   LYS  24          HB2       LYS  24  -5.996  -1.032   5.932
  208   2HB   LYS  24          HB1       LYS  24  -4.686  -2.130   5.516
  209   1HG   LYS  24          HG2       LYS  24  -3.095  -0.279   5.614
  210   2HG   LYS  24          HG1       LYS  24  -4.406   0.825   6.028
  211   1HD   LYS  24          HD2       LYS  24  -3.659  -1.587   7.671
  212   2HD   LYS  24          HD1       LYS  24  -3.036   0.036   7.967
  213   1HE   LYS  24          HE2       LYS  24  -5.348   0.838   8.263
  214   2HE   LYS  24          HE1       LYS  24  -5.930  -0.811   8.038
  215   1HZ   LYS  24          HZ1       LYS  24  -5.750  -0.219  10.381
  216   2HZ   LYS  24          HZ2       LYS  24  -4.089   0.077  10.195
  217   3HZ   LYS  24          HZ3       LYS  24  -4.700  -1.490   9.986
  218    H    SER  25           HN       SER  25  -7.555  -0.164   4.745
  219    HA   SER  25           HA       SER  25  -7.415   2.567   3.650
  220   1HB   SER  25          HB2       SER  25  -9.856   0.997   4.515
  221   2HB   SER  25          HB1       SER  25  -9.840   2.543   3.664
  222    HG   SER  25           HG       SER  25  -8.498   0.360   2.529
  223    H    ASN  26           HN       ASN  26  -7.512   4.280   4.999
  224    HA   ASN  26           HA       ASN  26  -7.207   3.842   7.805
  225   1HB   ASN  26          HB2       ASN  26  -7.040   6.270   7.983
  226   2HB   ASN  26          HB1       ASN  26  -6.049   5.679   6.656
  227   1HD2  ASN  26          HD21      ASN  26  -6.922   8.324   6.994
  228   2HD2  ASN  26          HD22      ASN  26  -7.884   8.735   5.620
  229    H    LYS  27           HN       LYS  27  -9.857   4.461   5.723
  230    HA   LYS  27           HA       LYS  27 -11.643   4.413   8.054
  231   1HB   LYS  27          HB2       LYS  27 -11.887   6.199   5.625
  232   2HB   LYS  27          HB1       LYS  27 -13.213   5.903   6.741
  233   1HG   LYS  27          HG2       LYS  27 -11.841   6.822   8.573
  234   2HG   LYS  27          HG1       LYS  27 -10.568   7.183   7.406
  235   1HD   LYS  27          HD2       LYS  27 -13.376   8.251   7.195
  236   2HD   LYS  27          HD1       LYS  27 -12.070   9.108   8.010
  237   1HE   LYS  27          HE2       LYS  27 -12.022   8.233   5.125
  238   2HE   LYS  27          HE1       LYS  27 -12.439   9.856   5.673
  239   1HZ   LYS  27          HZ1       LYS  27 -10.149   9.788   4.996
  240   2HZ   LYS  27          HZ2       LYS  27  -9.829   8.492   6.034
  241   3HZ   LYS  27          HZ3       LYS  27 -10.216  10.010   6.679
  242    HA   PRO  28           HA       PRO  28 -13.409   0.916   6.112
  243   1HB   PRO  28          HB2       PRO  28 -16.064   1.801   7.051
  244   2HB   PRO  28          HB1       PRO  28 -15.154   0.345   7.460
  245   1HG   PRO  28          HG2       PRO  28 -15.456   2.348   9.216
  246   2HG   PRO  28          HG1       PRO  28 -13.960   1.399   9.133
  247   1HD   PRO  28          HD2       PRO  28 -14.531   4.135   8.062
  248   2HD   PRO  28          HD1       PRO  28 -13.068   3.518   8.858
  249    H    VAL  29           HN       VAL  29 -14.210   0.366   4.183
  250    HA   VAL  29           HA       VAL  29 -15.663   2.433   2.666
  251    HB   VAL  29           HB       VAL  29 -14.684   1.489   0.626
  252   1HG1  VAL  29          HG11      VAL  29 -13.512   3.320   1.730
  253   2HG1  VAL  29          HG12      VAL  29 -12.379   2.227   0.936
  254   3HG1  VAL  29          HG13      VAL  29 -12.590   2.159   2.687
  255   1HG2  VAL  29          HG21      VAL  29 -14.441  -0.821   1.409
  256   2HG2  VAL  29          HG22      VAL  29 -13.103  -0.315   2.442
  257   3HG2  VAL  29          HG23      VAL  29 -12.958  -0.196   0.689
  258    H    GLU  30           HN       GLU  30 -17.186   1.603   1.036
  259    HA   GLU  30           HA       GLU  30 -18.838  -0.467   2.064
  260   1HB   GLU  30          HB2       GLU  30 -18.871   0.792  -0.687
  261   2HB   GLU  30          HB1       GLU  30 -20.162  -0.164   0.026
  262   1HG   GLU  30          HG2       GLU  30 -20.421   1.530   1.782
  263   2HG   GLU  30          HG1       GLU  30 -19.169   2.500   1.008
  264    H    ILE  31           HN       ILE  31 -19.064  -2.579   1.421
  265    HA   ILE  31           HA       ILE  31 -16.776  -3.901   0.505
  266    HB   ILE  31           HB       ILE  31 -18.221  -5.919   0.312
  267   1HG1  ILE  31          HG12      ILE  31 -20.426  -4.026   1.171
  268   2HG1  ILE  31          HG11      ILE  31 -20.287  -4.766  -0.420
  269   1HG2  ILE  31          HG21      ILE  31 -18.748  -6.038   2.709
  270   2HG2  ILE  31          HG22      ILE  31 -18.508  -4.294   2.836
  271   3HG2  ILE  31          HG23      ILE  31 -17.156  -5.342   2.409
  272   1HD1  ILE  31          HD11      ILE  31 -20.577  -6.968   0.569
  273   2HD1  ILE  31          HD12      ILE  31 -21.925  -5.905   0.969
  274   3HD1  ILE  31          HD13      ILE  31 -20.681  -6.241   2.173
  275    H    SER  32           HN       SER  32 -19.469  -2.582  -1.240
  276    HA   SER  32           HA       SER  32 -19.049  -4.048  -3.650
  277   1HB   SER  32          HB2       SER  32 -20.463  -1.394  -3.343
  278   2HB   SER  32          HB1       SER  32 -20.718  -2.614  -4.592
  279    HG   SER  32           HG       SER  32 -22.305  -2.604  -2.856
  280    H    LYS  33           HN       LYS  33 -17.454  -1.396  -2.191
  281    HA   LYS  33           HA       LYS  33 -16.570  -0.268  -4.726
  282   1HB   LYS  33          HB2       LYS  33 -16.048   0.560  -1.870
  283   2HB   LYS  33          HB1       LYS  33 -15.358   1.377  -3.267
  284   1HG   LYS  33          HG2       LYS  33 -17.744   1.709  -4.062
  285   2HG   LYS  33          HG1       LYS  33 -18.239   1.205  -2.445
  286   1HD   LYS  33          HD2       LYS  33 -16.963   3.026  -1.461
  287   2HD   LYS  33          HD1       LYS  33 -16.382   3.504  -3.059
  288   1HE   LYS  33          HE2       LYS  33 -19.243   3.537  -2.103
  289   2HE   LYS  33          HE1       LYS  33 -18.208   4.941  -2.355
  290   1HZ   LYS  33          HZ1       LYS  33 -19.785   4.505  -4.191
  291   2HZ   LYS  33          HZ2       LYS  33 -18.981   3.047  -4.508
  292   3HZ   LYS  33          HZ3       LYS  33 -18.164   4.520  -4.689
  293    H    TRP  34           HN       TRP  34 -15.632  -2.765  -2.763
  294    HA   TRP  34           HA       TRP  34 -12.845  -2.551  -2.665
  295   1HB   TRP  34          HB2       TRP  34 -14.728  -4.887  -2.700
  296   2HB   TRP  34          HB1       TRP  34 -12.988  -5.150  -2.749
  297    HD1  TRP  34           HD1      TRP  34 -15.146  -2.767  -0.542
  298    HE1  TRP  34           HE1      TRP  34 -14.466  -3.151   1.912
  299    HE3  TRP  34           HE3      TRP  34 -11.714  -6.490  -1.229
  300    HZ2  TRP  34           HZ2      TRP  34 -12.718  -4.825   3.361
  301    HZ3  TRP  34           HZ3      TRP  34 -10.585  -7.433   0.742
  302    HH2  TRP  34           HH2      TRP  34 -11.077  -6.617   2.989
  303    H    ILE  35           HN       ILE  35 -14.995  -3.477  -5.248
  304    HA   ILE  35           HA       ILE  35 -13.036  -4.518  -7.011
  305    HB   ILE  35           HB       ILE  35 -15.689  -3.224  -7.676
  306   1HG1  ILE  35          HG12      ILE  35 -14.993  -6.147  -7.308
  307   2HG1  ILE  35          HG11      ILE  35 -15.838  -5.161  -6.121
  308   1HG2  ILE  35          HG21      ILE  35 -14.213  -3.338  -9.609
  309   2HG2  ILE  35          HG22      ILE  35 -15.535  -4.491  -9.775
  310   3HG2  ILE  35          HG23      ILE  35 -13.930  -5.053  -9.310
  311   1HD1  ILE  35          HD11      ILE  35 -16.821  -5.856  -8.878
  312   2HD1  ILE  35          HD12      ILE  35 -17.667  -4.832  -7.718
  313   3HD1  ILE  35          HD13      ILE  35 -17.394  -6.536  -7.355
  314    H    ASP  36           HN       ASP  36 -14.535  -1.316  -6.680
  315    HA   ASP  36           HA       ASP  36 -13.294  -0.021  -8.809
  316   1HB   ASP  36          HB2       ASP  36 -14.044   1.189  -6.135
  317   2HB   ASP  36          HB1       ASP  36 -13.793   2.071  -7.635
  318    H    PHE  37           HN       PHE  37 -12.311  -0.194  -5.408
  319    HA   PHE  37           HA       PHE  37  -9.946   1.291  -5.694
  320   1HB   PHE  37          HB2       PHE  37 -10.892  -0.691  -3.643
  321   2HB   PHE  37          HB1       PHE  37  -9.293   0.034  -3.538
  322    HD1  PHE  37           HD1      PHE  37 -12.895   0.963  -3.829
  323    HD2  PHE  37           HD2      PHE  37  -9.018   2.043  -2.444
  324    HE1  PHE  37           HE1      PHE  37 -13.849   2.921  -2.690
  325    HE2  PHE  37           HE2      PHE  37  -9.971   4.002  -1.303
  326    HZ   PHE  37           HZ       PHE  37 -12.389   4.444  -1.424
  327    H    SER  38           HN       SER  38 -10.585  -2.167  -6.041
  328    HA   SER  38           HA       SER  38  -7.900  -3.000  -6.203
  329   1HB   SER  38          HB2       SER  38 -10.411  -4.216  -7.371
  330   2HB   SER  38          HB1       SER  38  -8.833  -5.007  -7.383
  331    HG   SER  38           HG       SER  38 -10.518  -4.404  -5.205
  332    H    ASN  39           HN       ASN  39 -10.183  -1.933  -8.693
  333    HA   ASN  39           HA       ASN  39  -8.519  -2.382 -10.919
  334   1HB   ASN  39          HB2       ASN  39 -10.813  -0.486 -10.435
  335   2HB   ASN  39          HB1       ASN  39  -9.962  -0.532 -11.974
  336   1HD2  ASN  39          HD21      ASN  39 -11.856  -1.169 -13.013
  337   2HD2  ASN  39          HD22      ASN  39 -12.469  -2.783 -12.895
  338    H    VAL  40           HN       VAL  40  -8.781   0.296  -8.680
  339    HA   VAL  40           HA       VAL  40  -7.078   2.077 -10.097
  340    HB   VAL  40           HB       VAL  40  -7.738   2.005  -7.143
  341   1HG1  VAL  40          HG11      VAL  40  -7.130   4.371  -7.140
  342   2HG1  VAL  40          HG12      VAL  40  -6.632   4.246  -8.828
  343   3HG1  VAL  40          HG13      VAL  40  -5.757   3.354  -7.584
  344   1HG2  VAL  40          HG21      VAL  40  -9.418   3.693  -7.681
  345   2HG2  VAL  40          HG22      VAL  40  -9.724   2.185  -8.542
  346   3HG2  VAL  40          HG23      VAL  40  -9.010   3.555  -9.392
  347    H    LEU  41           HN       LEU  41  -6.545  -0.128  -7.361
  348    HA   LEU  41           HA       LEU  41  -3.812   0.451  -7.014
  349   1HB   LEU  41          HB2       LEU  41  -5.681  -1.648  -6.102
  350   2HB   LEU  41          HB1       LEU  41  -3.973  -2.051  -6.051
  351    HG   LEU  41           HG       LEU  41  -3.573  -0.033  -4.697
  352   1HD1  LEU  41          HD11      LEU  41  -5.448   1.332  -5.374
  353   2HD1  LEU  41          HD12      LEU  41  -5.470   1.096  -3.626
  354   3HD1  LEU  41          HD13      LEU  41  -6.575   0.181  -4.652
  355   1HD2  LEU  41          HD21      LEU  41  -4.489  -0.925  -2.629
  356   2HD2  LEU  41          HD22      LEU  41  -3.866  -2.218  -3.655
  357   3HD2  LEU  41          HD23      LEU  41  -5.604  -1.935  -3.550
  358    H    SER  42           HN       SER  42  -5.457  -1.997  -8.916
  359    HA   SER  42           HA       SER  42  -3.152  -3.410  -9.732
  360   1HB   SER  42          HB2       SER  42  -5.810  -3.158 -11.151
  361   2HB   SER  42          HB1       SER  42  -4.583  -4.384 -11.469
  362    HG   SER  42           HG       SER  42  -6.180  -4.029  -9.161
  363    H    ARG  43           HN       ARG  43  -4.225  -0.330 -10.561
  364    HA   ARG  43           HA       ARG  43  -2.719  -0.323 -13.088
  365   1HB   ARG  43          HB2       ARG  43  -5.071   0.516 -13.114
  366   2HB   ARG  43          HB1       ARG  43  -4.610   1.757 -11.960
  367   1HG   ARG  43          HG2       ARG  43  -4.717   2.689 -14.172
  368   2HG   ARG  43          HG1       ARG  43  -3.045   2.685 -13.608
  369   1HD   ARG  43          HD2       ARG  43  -3.211   1.977 -15.947
  370   2HD   ARG  43          HD1       ARG  43  -2.587   0.689 -14.919
  371    HE   ARG  43           HE       ARG  43  -5.221   0.147 -14.985
  372   1HH1  ARG  43          HH11      ARG  43  -2.919   0.862 -17.523
  373   2HH1  ARG  43          HH12      ARG  43  -3.699  -0.169 -18.691
  374   1HH2  ARG  43          HH21      ARG  43  -6.256  -1.191 -16.500
  375   2HH2  ARG  43          HH22      ARG  43  -5.610  -1.334 -18.111
  376    H    LEU  44           HN       LEU  44  -2.348   0.296  -9.860
  377    HA   LEU  44           HA       LEU  44  -0.779   2.744 -10.192
  378   1HB   LEU  44          HB2       LEU  44  -2.551   2.766  -8.507
  379   2HB   LEU  44          HB1       LEU  44  -1.819   1.389  -7.706
  380    HG   LEU  44           HG       LEU  44   0.212   2.820  -7.303
  381   1HD1  LEU  44          HD11      LEU  44  -0.224   4.490  -9.043
  382   2HD1  LEU  44          HD12      LEU  44  -0.037   5.229  -7.454
  383   3HD1  LEU  44          HD13      LEU  44  -1.646   5.037  -8.153
  384   1HD2  LEU  44          HD21      LEU  44  -2.404   3.718  -6.113
  385   2HD2  LEU  44          HD22      LEU  44  -0.806   4.018  -5.429
  386   3HD2  LEU  44          HD23      LEU  44  -1.413   2.369  -5.560
  387    H    TYR  45           HN       TYR  45   1.333   2.623 -10.288
  388    HA   TYR  45           HA       TYR  45   2.710   0.565  -8.707
  389   1HB   TYR  45          HB2       TYR  45   3.352   1.588 -11.467
  390   2HB   TYR  45          HB1       TYR  45   4.582   0.843 -10.450
  391    HD1  TYR  45           HD1      TYR  45   1.306   0.212 -12.095
  392    HD2  TYR  45           HD2      TYR  45   4.760  -1.490 -10.278
  393    HE1  TYR  45           HE1      TYR  45   0.605  -2.016 -12.860
  394    HE2  TYR  45           HE2      TYR  45   4.068  -3.722 -11.041
  395    HH   TYR  45           HH       TYR  45   1.585  -4.195 -13.331
  396    H    VAL  46           HN       VAL  46   3.776   1.451  -7.088
  397    HA   VAL  46           HA       VAL  46   4.595   4.269  -7.313
  398    HB   VAL  46           HB       VAL  46   4.689   4.252  -4.825
  399   1HG1  VAL  46          HG11      VAL  46   2.266   4.280  -4.475
  400   2HG1  VAL  46          HG12      VAL  46   2.035   3.453  -6.016
  401   3HG1  VAL  46          HG13      VAL  46   2.712   5.082  -5.982
  402   1HG2  VAL  46          HG21      VAL  46   3.480   1.502  -5.129
  403   2HG2  VAL  46          HG22      VAL  46   3.590   2.404  -3.618
  404   3HG2  VAL  46          HG23      VAL  46   5.059   1.885  -4.444
  405    H    GLY  47           HN       GLY  47   6.529   4.606  -5.539
  406   1HA   GLY  47          HA2       GLY  47   8.477   2.444  -5.814
  407   2HA   GLY  47          HA1       GLY  47   8.856   3.948  -6.621
  408    H    VAL  48           HN       VAL  48   7.410   3.304  -3.479
  409    HA   VAL  48           HA       VAL  48   9.712   4.621  -2.212
  410    HB   VAL  48           HB       VAL  48   6.821   5.114  -1.453
  411   1HG1  VAL  48          HG11      VAL  48   7.739   6.779   0.094
  412   2HG1  VAL  48          HG12      VAL  48   9.372   6.288  -0.355
  413   3HG1  VAL  48          HG13      VAL  48   8.306   5.152   0.473
  414   1HG2  VAL  48          HG21      VAL  48   8.811   6.977  -2.747
  415   2HG2  VAL  48          HG22      VAL  48   7.176   7.397  -2.235
  416   3HG2  VAL  48          HG23      VAL  48   7.421   6.240  -3.544
  417    HA   PRO  49           HA       PRO  49   9.312   0.939   0.378
  418   1HB   PRO  49          HB2       PRO  49  11.616   1.345   1.751
  419   2HB   PRO  49          HB1       PRO  49  11.581   0.635   0.133
  420   1HG   PRO  49          HG2       PRO  49  12.225   3.429   0.963
  421   2HG   PRO  49          HG1       PRO  49  12.986   2.425  -0.283
  422   1HD   PRO  49          HD2       PRO  49  11.159   4.387  -0.824
  423   2HD   PRO  49          HD1       PRO  49  11.410   2.965  -1.853
  424    H    THR  50           HN       THR  50   7.597   1.512   1.659
  425    HA   THR  50           HA       THR  50   7.863   3.722   3.548
  426    HB   THR  50           HB       THR  50   5.376   3.266   3.851
  427    HG1  THR  50           HG1      THR  50   5.571   1.094   2.907
  428   1HG2  THR  50          HG21      THR  50   6.181   5.108   2.474
  429   2HG2  THR  50          HG22      THR  50   4.788   4.345   1.707
  430   3HG2  THR  50          HG23      THR  50   6.414   4.013   1.110
  431    H    LYS  51           HN       LYS  51   6.787   3.460   5.680
  432    HA   LYS  51           HA       LYS  51   7.333   0.857   6.907
  433   1HB   LYS  51          HB2       LYS  51   6.665   3.536   8.133
  434   2HB   LYS  51          HB1       LYS  51   6.989   2.068   9.044
  435   1HG   LYS  51          HG2       LYS  51   9.258   2.011   8.098
  436   2HG   LYS  51          HG1       LYS  51   8.924   3.528   7.257
  437   1HD   LYS  51          HD2       LYS  51   8.485   4.603   9.433
  438   2HD   LYS  51          HD1       LYS  51   8.901   3.092  10.243
  439   1HE   LYS  51          HE2       LYS  51  10.803   4.549  10.311
  440   2HE   LYS  51          HE1       LYS  51  11.151   3.218   9.209
  441   1HZ   LYS  51          HZ1       LYS  51  11.867   5.330   8.297
  442   2HZ   LYS  51          HZ2       LYS  51  10.295   5.951   8.411
  443   3HZ   LYS  51          HZ3       LYS  51  10.626   4.673   7.351
  444    H    SER  52           HN       SER  52   5.453   1.419   9.062
  445    HA   SER  52           HA       SER  52   2.992   0.587   7.750
  446   1HB   SER  52          HB2       SER  52   2.302   0.417  10.291
  447   2HB   SER  52          HB1       SER  52   3.346  -0.801   9.561
  448    HG   SER  52           HG       SER  52   3.903   1.091  11.490
  449    H    GLY  53           HN       GLY  53   1.506   2.029   7.188
  450   1HA   GLY  53          HA2       GLY  53  -0.149   3.631   7.737
  451   2HA   GLY  53          HA1       GLY  53   0.878   4.209   9.042
  452    H    ASN  54           HN       ASN  54   1.172   3.828   5.505
  453    HA   ASN  54           HA       ASN  54   2.016   6.651   5.380
  454   1HB   ASN  54          HB2       ASN  54   3.209   4.359   3.803
  455   2HB   ASN  54          HB1       ASN  54   3.633   6.061   3.618
  456   1HD2  ASN  54          HD21      ASN  54   3.727   3.310   5.735
  457   2HD2  ASN  54          HD22      ASN  54   4.970   3.895   6.783
  458    H    VAL  55           HN       VAL  55   0.998   7.849   3.870
  459    HA   VAL  55           HA       VAL  55  -1.290   6.607   2.641
  460    HB   VAL  55           HB       VAL  55  -0.373   9.485   2.482
  461   1HG1  VAL  55          HG11      VAL  55  -3.045   8.226   1.881
  462   2HG1  VAL  55          HG12      VAL  55  -1.914   8.892   0.702
  463   3HG1  VAL  55          HG13      VAL  55  -2.696   9.956   1.871
  464   1HG2  VAL  55          HG21      VAL  55  -0.763   8.825   4.790
  465   2HG2  VAL  55          HG22      VAL  55  -2.345   8.178   4.353
  466   3HG2  VAL  55          HG23      VAL  55  -2.037   9.911   4.233
  467    H    VAL  56           HN       VAL  56  -1.036   5.538   0.816
  468    HA   VAL  56           HA       VAL  56   0.888   6.330  -1.202
  469    HB   VAL  56           HB       VAL  56  -1.244   4.186  -1.333
  470   1HG1  VAL  56          HG11      VAL  56  -0.396   4.873  -3.518
  471   2HG1  VAL  56          HG12      VAL  56   0.121   3.236  -3.117
  472   3HG1  VAL  56          HG13      VAL  56   1.256   4.578  -2.974
  473   1HG2  VAL  56          HG21      VAL  56   0.276   3.788   0.537
  474   2HG2  VAL  56          HG22      VAL  56   1.659   3.938  -0.548
  475   3HG2  VAL  56          HG23      VAL  56   0.522   2.603  -0.745
  476    H    CYS  57           HN       CYS  57  -2.620   6.233  -0.778
  477    HA   CYS  57           HA       CYS  57  -2.862   8.214  -2.932
  478   1HB   CYS  57          HB2       CYS  57  -4.744   5.891  -2.457
  479   2HB   CYS  57          HB1       CYS  57  -4.990   7.181  -3.630
  480    HG   CYS  57           HG       CYS  57  -2.069   6.034  -4.300
  481    H    LYS  58           HN       LYS  58  -3.267   9.999  -1.819
  482    HA   LYS  58           HA       LYS  58  -4.917   9.955   0.563
  483   1HB   LYS  58          HB2       LYS  58  -2.948  11.360   0.564
  484   2HB   LYS  58          HB1       LYS  58  -3.488  12.186  -0.888
  485   1HG   LYS  58          HG2       LYS  58  -5.240  13.277   0.277
  486   2HG   LYS  58          HG1       LYS  58  -5.010  12.262   1.701
  487   1HD   LYS  58          HD2       LYS  58  -4.076  14.575   1.907
  488   2HD   LYS  58          HD1       LYS  58  -2.905  13.284   2.179
  489   1HE   LYS  58          HE2       LYS  58  -2.087  13.546  -0.111
  490   2HE   LYS  58          HE1       LYS  58  -3.266  14.829  -0.387
  491   1HZ   LYS  58          HZ1       LYS  58  -1.187  14.966   1.724
  492   2HZ   LYS  58          HZ2       LYS  58  -2.174  16.223   1.155
  493   3HZ   LYS  58          HZ3       LYS  58  -0.965  15.582   0.159
  494    H    ASN  59           HN       ASN  59  -6.984  10.432   0.684
  495    HA   ASN  59           HA       ASN  59  -9.136  10.790   0.044
  496   1HB   ASN  59          HB2       ASN  59  -8.034  13.140  -0.042
  497   2HB   ASN  59          HB1       ASN  59  -8.149  12.959  -1.790
  498   1HD2  ASN  59          HD21      ASN  59  -9.892  13.311   1.182
  499   2HD2  ASN  59          HD22      ASN  59 -11.420  13.733   0.477
  500    H    ILE  60           HN       ILE  60  -8.266   8.676  -1.204
  501    HA   ILE  60           HA       ILE  60  -8.325   8.882  -4.064
  502    HB   ILE  60           HB       ILE  60  -7.003   7.126  -3.004
  503   1HG1  ILE  60          HG12      ILE  60  -9.326   5.986  -4.576
  504   2HG1  ILE  60          HG11      ILE  60  -7.892   6.735  -5.268
  505   1HG2  ILE  60          HG21      ILE  60  -8.314   6.704  -1.035
  506   2HG2  ILE  60          HG22      ILE  60  -8.115   5.198  -1.931
  507   3HG2  ILE  60          HG23      ILE  60  -9.643   6.074  -2.008
  508   1HD1  ILE  60          HD11      ILE  60  -7.916   4.227  -3.603
  509   2HD1  ILE  60          HD12      ILE  60  -6.505   4.962  -4.362
  510   3HD1  ILE  60          HD13      ILE  60  -7.797   4.296  -5.361
  511    H    MET  61           HN       MET  61  -9.987   8.603  -5.428
  512    HA   MET  61           HA       MET  61 -12.070   8.307  -6.249
  513   1HB   MET  61          HB2       MET  61 -12.173   6.444  -3.899
  514   2HB   MET  61          HB1       MET  61 -13.607   6.731  -4.877
  515   1HG   MET  61          HG2       MET  61 -10.978   5.833  -6.023
  516   2HG   MET  61          HG1       MET  61 -12.246   4.718  -5.520
  517   1HE   MET  61          HE1       MET  61 -11.160   4.519  -8.442
  518   2HE   MET  61          HE2       MET  61 -12.656   4.458  -9.376
  519   3HE   MET  61          HE3       MET  61 -12.530   3.581  -7.851
  520    H    ASN  62           HN       ASN  62 -11.357  10.206  -3.897
  521    HA   ASN  62           HA       ASN  62 -12.289  12.066  -3.030
  522   1HB   ASN  62          HB2       ASN  62 -14.467  11.411  -5.015
  523   2HB   ASN  62          HB1       ASN  62 -14.429  12.890  -4.062
  524   1HD2  ASN  62          HD21      ASN  62 -14.258  14.211  -5.846
  525   2HD2  ASN  62          HD22      ASN  62 -12.812  14.308  -6.803
  526    H    THR  63           HN       THR  63 -13.188   9.193  -2.114
  527    HA   THR  63           HA       THR  63 -15.634   9.891  -0.717
  528    HB   THR  63           HB       THR  63 -15.400   7.612  -1.586
  529    HG1  THR  63           HG1      THR  63 -15.575   7.975   1.221
  530   1HG2  THR  63          HG21      THR  63 -13.832   6.028  -0.572
  531   2HG2  THR  63          HG22      THR  63 -13.143   7.327   0.401
  532   3HG2  THR  63          HG23      THR  63 -12.977   7.357  -1.354
  533    H    GLY  64           HN       GLY  64 -12.377  10.370  -0.235
  534   1HA   GLY  64          HA2       GLY  64 -11.567  11.650   1.579
  535   2HA   GLY  64          HA1       GLY  64 -12.874  11.026   2.574
  536    H    VAL  65           HN       VAL  65 -11.996   8.303   1.255
  537    HA   VAL  65           HA       VAL  65 -10.378   7.484   3.466
  538    HB   VAL  65           HB       VAL  65 -11.194   6.018   0.944
  539   1HG1  VAL  65          HG11      VAL  65  -9.085   5.098   1.743
  540   2HG1  VAL  65          HG12      VAL  65 -10.408   3.973   2.051
  541   3HG1  VAL  65          HG13      VAL  65  -9.753   4.945   3.369
  542   1HG2  VAL  65          HG21      VAL  65 -12.675   4.790   2.452
  543   2HG2  VAL  65          HG22      VAL  65 -13.020   6.521   2.482
  544   3HG2  VAL  65          HG23      VAL  65 -12.116   5.776   3.804
  545    H    ASP  66           HN       ASP  66  -8.264   7.110   3.571
  546    HA   ASP  66           HA       ASP  66  -6.637   7.829   1.227
  547   1HB   ASP  66          HB2       ASP  66  -5.785   8.069   4.122
  548   2HB   ASP  66          HB1       ASP  66  -4.985   8.743   2.704
  549    H    ILE  67           HN       ILE  67  -5.502   6.169   0.442
  550    HA   ILE  67           HA       ILE  67  -5.582   3.644   1.842
  551    HB   ILE  67           HB       ILE  67  -4.405   4.372  -0.845
  552   1HG1  ILE  67          HG12      ILE  67  -6.828   4.541  -0.797
  553   2HG1  ILE  67          HG11      ILE  67  -6.362   3.114  -1.715
  554   1HG2  ILE  67          HG21      ILE  67  -3.221   2.461   0.084
  555   2HG2  ILE  67          HG22      ILE  67  -4.256   1.953  -1.250
  556   3HG2  ILE  67          HG23      ILE  67  -4.752   1.652   0.415
  557   1HD1  ILE  67          HD11      ILE  67  -7.337   3.139   1.136
  558   2HD1  ILE  67          HD12      ILE  67  -6.875   1.707   0.211
  559   3HD1  ILE  67          HD13      ILE  67  -8.272   2.663  -0.284
  560    H    ILE  68           HN       ILE  68  -4.121   3.049   3.260
  561    HA   ILE  68           HA       ILE  68  -1.435   4.228   3.054
  562    HB   ILE  68           HB       ILE  68  -1.274   3.920   5.528
  563   1HG1  ILE  68          HG12      ILE  68  -4.257   3.454   5.319
  564   2HG1  ILE  68          HG11      ILE  68  -3.062   2.236   5.762
  565   1HG2  ILE  68          HG21      ILE  68  -3.480   5.733   4.574
  566   2HG2  ILE  68          HG22      ILE  68  -1.753   6.088   4.524
  567   3HG2  ILE  68          HG23      ILE  68  -2.572   5.903   6.077
  568   1HD1  ILE  68          HD11      ILE  68  -2.490   3.519   7.749
  569   2HD1  ILE  68          HD12      ILE  68  -4.205   3.112   7.717
  570   3HD1  ILE  68          HD13      ILE  68  -3.674   4.744   7.301
  571    H    CYS  69           HN       CYS  69   0.236   2.915   2.904
  572    HA   CYS  69           HA       CYS  69  -0.111   0.044   3.054
  573   1HB   CYS  69          HB2       CYS  69   2.452   0.157   2.660
  574   2HB   CYS  69          HB1       CYS  69   1.387   0.684   1.363
  575    HG   CYS  69           HG       CYS  69   3.847   2.277   2.042
  576    H    THR  70           HN       THR  70   0.694  -1.304   4.701
  577    HA   THR  70           HA       THR  70   1.624   0.174   7.076
  578    HB   THR  70           HB       THR  70  -0.761  -0.357   7.301
  579    HG1  THR  70           HG1      THR  70   1.069  -1.736   8.982
  580   1HG2  THR  70          HG21      THR  70   0.097  -3.247   7.112
  581   2HG2  THR  70          HG22      THR  70  -0.835  -2.370   5.899
  582   3HG2  THR  70          HG23      THR  70  -1.523  -2.669   7.496
  583    H    LYS  71           HN       LYS  71   2.634  -2.027   4.917
  584    HA   LYS  71           HA       LYS  71   4.054  -3.609   6.934
  585   1HB   LYS  71          HB2       LYS  71   3.086  -4.887   5.065
  586   2HB   LYS  71          HB1       LYS  71   4.027  -3.934   3.925
  587   1HG   LYS  71          HG2       LYS  71   6.095  -4.797   4.904
  588   2HG   LYS  71          HG1       LYS  71   5.150  -5.750   6.049
  589   1HD   LYS  71          HD2       LYS  71   4.166  -7.008   4.212
  590   2HD   LYS  71          HD1       LYS  71   5.059  -6.030   3.046
  591   1HE   LYS  71          HE2       LYS  71   6.175  -8.156   3.380
  592   2HE   LYS  71          HE1       LYS  71   7.171  -6.843   4.003
  593   1HZ   LYS  71          HZ1       LYS  71   6.386  -7.375   6.241
  594   2HZ   LYS  71          HZ2       LYS  71   7.159  -8.700   5.523
  595   3HZ   LYS  71          HZ3       LYS  71   5.467  -8.662   5.624
  596    H    ASN  72           HN       ASN  72   6.144  -3.273   7.384
  597    HA   ASN  72           HA       ASN  72   7.344  -0.859   6.373
  598   1HB   ASN  72          HB2       ASN  72   8.364  -2.951   8.307
  599   2HB   ASN  72          HB1       ASN  72   9.267  -1.507   7.869
  600   1HD2  ASN  72          HD21      ASN  72   5.783  -1.669   8.358
  601   2HD2  ASN  72          HD22      ASN  72   5.752  -0.676   9.774
  602    H    LEU  73           HN       LEU  73   8.139  -0.884   4.382
  603    HA   LEU  73           HA       LEU  73   9.363  -3.262   3.278
  604   1HB   LEU  73          HB2       LEU  73   9.090  -0.463   2.182
  605   2HB   LEU  73          HB1       LEU  73   9.753  -1.818   1.290
  606    HG   LEU  73           HG       LEU  73   6.917  -1.613   2.312
  607   1HD1  LEU  73          HD11      LEU  73   7.342  -0.091   0.462
  608   2HD1  LEU  73          HD12      LEU  73   6.326  -1.437  -0.058
  609   3HD1  LEU  73          HD13      LEU  73   8.038  -1.410  -0.479
  610   1HD2  LEU  73          HD21      LEU  73   7.678  -3.915   2.289
  611   2HD2  LEU  73          HD22      LEU  73   8.285  -3.722   0.644
  612   3HD2  LEU  73          HD23      LEU  73   6.551  -3.642   0.959
  613    HA   PRO  74           HA       PRO  74  13.286  -2.140   5.105
  614   1HB   PRO  74          HB2       PRO  74  14.658  -4.254   4.026
  615   2HB   PRO  74          HB1       PRO  74  13.688  -4.355   5.498
  616   1HG   PRO  74          HG2       PRO  74  12.982  -5.153   2.706
  617   2HG   PRO  74          HG1       PRO  74  12.631  -5.983   4.233
  618   1HD   PRO  74          HD2       PRO  74  10.775  -4.520   2.939
  619   2HD   PRO  74          HD1       PRO  74  10.834  -4.613   4.711
  620    H    LYS  75           HN       LYS  75  14.292  -0.480   4.224
  621    HA   LYS  75           HA       LYS  75  14.819  -0.184   1.450
  622   1HB   LYS  75          HB2       LYS  75  16.029   1.212   3.849
  623   2HB   LYS  75          HB1       LYS  75  16.251   1.717   2.179
  624   1HG   LYS  75          HG2       LYS  75  13.880   2.166   1.966
  625   2HG   LYS  75          HG1       LYS  75  13.602   1.581   3.607
  626   1HD   LYS  75          HD2       LYS  75  14.944   3.382   4.510
  627   2HD   LYS  75          HD1       LYS  75  15.347   3.933   2.882
  628   1HE   LYS  75          HE2       LYS  75  13.589   5.309   3.878
  629   2HE   LYS  75          HE1       LYS  75  13.002   4.445   2.459
  630   1HZ   LYS  75          HZ1       LYS  75  12.589   3.485   5.237
  631   2HZ   LYS  75          HZ2       LYS  75  11.842   2.918   3.824
  632   3HZ   LYS  75          HZ3       LYS  75  11.472   4.458   4.416
  633    H    ASP  76           HN       ASP  76  16.155  -1.506   0.411
  634    HA   ASP  76           HA       ASP  76  18.142  -3.014   1.842
  635   1HB   ASP  76          HB2       ASP  76  16.703  -3.979   0.034
  636   2HB   ASP  76          HB1       ASP  76  17.582  -2.992  -1.128
  637    H    SER  77           HN       SER  77  19.139  -0.868   2.399
  638    HA   SER  77           HA       SER  77  21.640  -0.650   1.132
  639   1HB   SER  77          HB2       SER  77  20.290   0.565  -0.575
  640   2HB   SER  77          HB1       SER  77  19.783   1.704   0.670
  641    HG   SER  77           HG       SER  77  22.029   1.688  -0.792
  642    H    LEU  78           HN       LEU  78  22.994  -0.012   2.694
  643    HA   LEU  78           HA       LEU  78  21.858   1.395   5.011
  644   1HB   LEU  78          HB2       LEU  78  24.383  -0.250   4.781
  645   2HB   LEU  78          HB1       LEU  78  23.844   0.567   6.235
  646    HG   LEU  78           HG       LEU  78  22.367  -1.679   4.855
  647   1HD1  LEU  78          HD11      LEU  78  23.988  -1.633   7.393
  648   2HD1  LEU  78          HD12      LEU  78  24.424  -2.447   5.889
  649   3HD1  LEU  78          HD13      LEU  78  23.024  -2.992   6.815
  650   1HD2  LEU  78          HD21      LEU  78  20.867  -0.128   5.997
  651   2HD2  LEU  78          HD22      LEU  78  21.835  -0.262   7.465
  652   3HD2  LEU  78          HD23      LEU  78  20.956  -1.666   6.857
  653    H    GLU  79           HN       GLU  79  23.155   3.060   6.019
  654    HA   GLU  79           HA       GLU  79  24.447   4.776   4.134
  655   1HB   GLU  79          HB2       GLU  79  23.106   5.548   6.130
  656   2HB   GLU  79          HB1       GLU  79  24.439   5.022   7.148
  657   1HG   GLU  79          HG2       GLU  79  24.454   7.439   6.696
  658   2HG   GLU  79          HG1       GLU  79  25.915   6.624   6.136
  659    H    HIS  80           HN       HIS  80  26.276   3.917   3.323
  660    HA   HIS  80           HA       HIS  80  28.175   2.656   5.174
  661   1HB   HIS  80          HB2       HIS  80  27.199   1.344   3.257
  662   2HB   HIS  80          HB1       HIS  80  28.052   2.427   2.164
  663    HD1  HIS  80           HD1      HIS  80  28.558  -0.430   4.488
  664    HD2  HIS  80           HD2      HIS  80  30.817   2.033   2.020
  665    HE1  HIS  80           HE1      HIS  80  30.810  -1.531   4.310
  666    HE2  HIS  80           HE2      HIS  80  32.018  -0.189   2.553
  667    H    HIS  81           HN       HIS  81  29.760   3.933   5.800
  668    HA   HIS  81           HA       HIS  81  31.120   5.636   3.850
  669   1HB   HIS  81          HB2       HIS  81  31.057   7.553   5.522
  670   2HB   HIS  81          HB1       HIS  81  29.541   7.205   4.702
  671    HD1  HIS  81           HD1      HIS  81  31.016   7.557   8.042
  672    HD2  HIS  81           HD2      HIS  81  27.639   5.783   6.380
  673    HE1  HIS  81           HE1      HIS  81  29.461   7.119   9.969
  674    HE2  HIS  81           HE2      HIS  81  27.510   5.874   8.963
  675    H    HIS  82           HN       HIS  82  33.228   5.313   4.030
  676    HA   HIS  82           HA       HIS  82  34.302   4.125   6.478
  677   1HB   HIS  82          HB2       HIS  82  35.452   4.536   3.725
  678   2HB   HIS  82          HB1       HIS  82  36.450   4.044   5.083
  679    HD1  HIS  82           HD1      HIS  82  35.030   2.591   2.307
  680    HD2  HIS  82           HD2      HIS  82  34.937   1.606   6.349
  681    HE1  HIS  82           HE1      HIS  82  34.506   0.130   2.397
  682    HE2  HIS  82           HE2      HIS  82  34.691  -0.483   4.834
  683    H    HIS  83           HN       HIS  83  35.427   5.210   7.946
  684    HA   HIS  83           HA       HIS  83  37.224   7.312   7.182
  685   1HB   HIS  83          HB2       HIS  83  34.987   8.491   7.373
  686   2HB   HIS  83          HB1       HIS  83  35.004   8.085   9.086
  687    HD1  HIS  83           HD1      HIS  83  37.399   9.790   6.649
  688    HD2  HIS  83           HD2      HIS  83  36.026  10.104  10.565
  689    HE1  HIS  83           HE1      HIS  83  38.535  11.818   7.610
  690    HE2  HIS  83           HE2      HIS  83  37.873  11.836  10.041
  691    H    HIS  84           HN       HIS  84  37.568   4.804   8.314
  692    HA   HIS  84           HA       HIS  84  37.869   5.041  11.170
  693   1HB   HIS  84          HB2       HIS  84  37.346   2.880  10.006
  694   2HB   HIS  84          HB1       HIS  84  38.973   2.896   9.337
  695    HD1  HIS  84           HD1      HIS  84  39.982   0.928  10.550
  696    HD2  HIS  84           HD2      HIS  84  38.110   3.611  13.117
  697    HE1  HIS  84           HE1      HIS  84  40.588   0.179  12.872
  698    HE2  HIS  84           HE2      HIS  84  39.629   1.948  14.389
  699    H    HIS  85           HN       HIS  85  39.187   7.125  10.077
  700    HA   HIS  85           HA       HIS  85  41.965   6.492  10.778
  701   1HB   HIS  85          HB2       HIS  85  41.082   8.318   8.526
  702   2HB   HIS  85          HB1       HIS  85  42.725   8.230   9.145
  703    HD1  HIS  85           HD1      HIS  85  44.168   6.235   8.422
  704    HD2  HIS  85           HD2      HIS  85  40.269   6.110   6.964
  705    HE1  HIS  85           HE1      HIS  85  44.155   4.441   6.656
  706    HE2  HIS  85           HE2      HIS  85  41.762   4.297   5.871
  Start of MODEL   18
    1   1H    MET   1          HT1       MET   1 -17.835  -7.269   9.206
    2   2H    MET   1          HT2       MET   1 -17.316  -5.658   9.336
    3   3H    MET   1          HT3       MET   1 -18.187  -6.158   7.974
    4    HA   MET   1           HA       MET   1 -20.146  -6.508   9.243
    5   1HB   MET   1          HB2       MET   1 -18.353  -5.783  11.560
    6   2HB   MET   1          HB1       MET   1 -20.106  -5.720  11.667
    7   1HG   MET   1          HG2       MET   1 -18.622  -8.207  10.878
    8   2HG   MET   1          HG1       MET   1 -18.972  -7.797  12.555
    9   1HE   MET   1          HE1       MET   1 -21.095  -7.496   9.183
   10   2HE   MET   1          HE2       MET   1 -22.118  -8.921   9.357
   11   3HE   MET   1          HE3       MET   1 -20.375  -9.107   9.159
   12    H    HIS   2           HN       HIS   2 -21.435  -4.930   8.640
   13    HA   HIS   2           HA       HIS   2 -22.216  -2.901   8.011
   14   1HB   HIS   2          HB2       HIS   2 -20.377  -1.811  10.159
   15   2HB   HIS   2          HB1       HIS   2 -21.711  -0.948   9.405
   16    HD1  HIS   2           HD1      HIS   2 -23.981  -1.229  10.442
   17    HD2  HIS   2           HD2      HIS   2 -21.215  -3.997  11.843
   18    HE1  HIS   2           HE1      HIS   2 -25.133  -2.457  12.312
   19    HE2  HIS   2           HE2      HIS   2 -23.530  -4.293  12.948
   20    H    LYS   3           HN       LYS   3 -19.281  -1.260   8.909
   21    HA   LYS   3           HA       LYS   3 -18.456  -1.217   6.084
   22   1HB   LYS   3          HB2       LYS   3 -17.761   0.692   8.328
   23   2HB   LYS   3          HB1       LYS   3 -17.126   0.791   6.694
   24   1HG   LYS   3          HG2       LYS   3 -19.439   1.118   5.868
   25   2HG   LYS   3          HG1       LYS   3 -19.991   1.152   7.546
   26   1HD   LYS   3          HD2       LYS   3 -18.462   3.049   7.971
   27   2HD   LYS   3          HD1       LYS   3 -18.016   3.040   6.265
   28   1HE   LYS   3          HE2       LYS   3 -20.772   3.531   7.382
   29   2HE   LYS   3          HE1       LYS   3 -19.683   4.755   6.737
   30   1HZ   LYS   3          HZ1       LYS   3 -19.777   3.558   4.586
   31   2HZ   LYS   3          HZ2       LYS   3 -21.264   4.211   5.069
   32   3HZ   LYS   3          HZ3       LYS   3 -20.981   2.548   5.237
   33    H    ASP   4           HN       ASP   4 -16.322  -1.817   5.570
   34    HA   ASP   4           HA       ASP   4 -14.888  -3.110   7.801
   35   1HB   ASP   4          HB2       ASP   4 -16.152  -4.584   6.011
   36   2HB   ASP   4          HB1       ASP   4 -14.726  -4.238   5.037
   37    H    ILE   5           HN       ILE   5 -12.572  -3.342   7.482
   38    HA   ILE   5           HA       ILE   5 -11.466  -0.991   6.209
   39    HB   ILE   5           HB       ILE   5 -10.123  -3.200   7.781
   40   1HG1  ILE   5          HG12      ILE   5 -11.653  -1.810   9.118
   41   2HG1  ILE   5          HG11      ILE   5  -9.975  -1.545   9.577
   42   1HG2  ILE   5          HG21      ILE   5  -8.178  -1.695   7.879
   43   2HG2  ILE   5          HG22      ILE   5  -8.995  -0.590   6.773
   44   3HG2  ILE   5          HG23      ILE   5  -8.546  -2.208   6.234
   45   1HD1  ILE   5          HD11      ILE   5 -11.664   0.255   7.855
   46   2HD1  ILE   5          HD12      ILE   5  -9.961   0.515   8.234
   47   3HD1  ILE   5          HD13      ILE   5 -11.165   0.548   9.521
   48    H    PHE   6           HN       PHE   6 -11.411  -1.185   4.027
   49    HA   PHE   6           HA       PHE   6 -10.941  -3.554   2.598
   50   1HB   PHE   6          HB2       PHE   6 -11.889  -1.531   1.556
   51   2HB   PHE   6          HB1       PHE   6 -10.343  -0.710   1.740
   52    HD1  PHE   6           HD2      PHE   6 -12.086  -3.449   0.000
   53    HD2  PHE   6           HD1      PHE   6  -8.582  -1.042   0.191
   54    HE1  PHE   6           HE2      PHE   6 -11.384  -4.309  -2.195
   55    HE2  PHE   6           HE1      PHE   6  -7.871  -1.896  -2.004
   56    HZ   PHE   6           HZ       PHE   6  -9.272  -3.533  -3.199
   57    H    THR   7           HN       THR   7  -9.218  -4.779   2.922
   58    HA   THR   7           HA       THR   7  -6.569  -3.494   2.861
   59    HB   THR   7           HB       THR   7  -7.241  -6.059   4.321
   60    HG1  THR   7           HG1      THR   7  -8.208  -3.994   5.159
   61   1HG2  THR   7          HG21      THR   7  -4.900  -5.857   3.671
   62   2HG2  THR   7          HG22      THR   7  -5.064  -5.660   5.415
   63   3HG2  THR   7          HG23      THR   7  -4.823  -4.248   4.389
   64    H    SER   8           HN       SER   8  -5.253  -4.188   1.273
   65    HA   SER   8           HA       SER   8  -5.560  -6.849   0.136
   66   1HB   SER   8          HB2       SER   8  -5.853  -4.327  -1.526
   67   2HB   SER   8          HB1       SER   8  -5.700  -5.958  -2.182
   68    HG   SER   8           HG       SER   8  -7.652  -5.812  -0.303
   69    H    VAL   9           HN       VAL   9  -3.878  -6.636  -2.008
   70    HA   VAL   9           HA       VAL   9  -1.442  -5.415  -0.898
   71    HB   VAL   9           HB       VAL   9  -0.134  -7.196  -2.072
   72   1HG1  VAL   9          HG11      VAL   9  -0.547  -7.329   0.325
   73   2HG1  VAL   9          HG12      VAL   9  -0.546  -8.938  -0.399
   74   3HG1  VAL   9          HG13      VAL   9  -2.073  -8.164   0.028
   75   1HG2  VAL   9          HG21      VAL   9  -1.804  -7.904  -3.693
   76   2HG2  VAL   9          HG22      VAL   9  -2.842  -8.492  -2.393
   77   3HG2  VAL   9          HG23      VAL   9  -1.290  -9.272  -2.704
   78    H    VAL  10           HN       VAL  10  -0.237  -4.177  -2.244
   79    HA   VAL  10           HA       VAL  10  -1.235  -3.911  -5.006
   80    HB   VAL  10           HB       VAL  10  -1.490  -1.884  -3.549
   81   1HG1  VAL  10          HG11      VAL  10   1.521  -1.838  -3.648
   82   2HG1  VAL  10          HG12      VAL  10   0.525  -2.103  -2.216
   83   3HG1  VAL  10          HG13      VAL  10   0.489  -0.544  -3.038
   84   1HG2  VAL  10          HG21      VAL  10  -1.425  -1.676  -5.973
   85   2HG2  VAL  10          HG22      VAL  10   0.336  -1.580  -5.929
   86   3HG2  VAL  10          HG23      VAL  10  -0.635  -0.294  -5.209
   87    H    ARG  11           HN       ARG  11   0.335  -3.574  -6.667
   88    HA   ARG  11           HA       ARG  11   2.772  -5.053  -6.122
   89   1HB   ARG  11          HB2       ARG  11   1.525  -4.142  -8.728
   90   2HB   ARG  11          HB1       ARG  11   3.011  -5.081  -8.608
   91   1HG   ARG  11          HG2       ARG  11   1.833  -6.908  -7.571
   92   2HG   ARG  11          HG1       ARG  11   0.346  -5.966  -7.522
   93   1HD   ARG  11          HD2       ARG  11   0.321  -5.921  -9.984
   94   2HD   ARG  11          HD1       ARG  11   1.780  -6.916  -9.999
   95    HE   ARG  11           HE       ARG  11   0.233  -8.477  -8.563
   96   1HH1  ARG  11          HH11      ARG  11  -0.583  -6.688 -11.473
   97   2HH1  ARG  11          HH12      ARG  11  -1.892  -7.753 -11.905
   98   1HH2  ARG  11          HH21      ARG  11  -1.452  -9.872  -9.134
   99   2HH2  ARG  11          HH22      ARG  11  -2.383  -9.581 -10.574
  100    H    VAL  12           HN       VAL  12   4.486  -4.038  -5.549
  101    HA   VAL  12           HA       VAL  12   4.736  -1.160  -6.045
  102    HB   VAL  12           HB       VAL  12   6.441  -2.790  -4.172
  103   1HG1  VAL  12          HG11      VAL  12   5.548   0.082  -4.128
  104   2HG1  VAL  12          HG12      VAL  12   7.151  -0.514  -4.561
  105   3HG1  VAL  12          HG13      VAL  12   6.557  -0.698  -2.910
  106   1HG2  VAL  12          HG21      VAL  12   4.844  -2.311  -2.370
  107   2HG2  VAL  12          HG22      VAL  12   4.168  -3.371  -3.607
  108   3HG2  VAL  12          HG23      VAL  12   3.715  -1.667  -3.562
  109    H    ARG  13           HN       ARG  13   6.572  -0.310  -7.076
  110    HA   ARG  13           HA       ARG  13   7.878  -2.209  -8.806
  111   1HB   ARG  13          HB2       ARG  13   7.934   0.790  -8.635
  112   2HB   ARG  13          HB1       ARG  13   9.012  -0.097  -9.710
  113   1HG   ARG  13          HG2       ARG  13   6.975  -1.194 -10.687
  114   2HG   ARG  13          HG1       ARG  13   6.004  -0.056  -9.753
  115   1HD   ARG  13          HD2       ARG  13   8.160   0.859 -11.629
  116   2HD   ARG  13          HD1       ARG  13   6.524   0.526 -12.186
  117    HE   ARG  13           HE       ARG  13   6.112   2.227 -10.140
  118   1HH1  ARG  13          HH11      ARG  13   8.292   2.360 -12.880
  119   2HH1  ARG  13          HH12      ARG  13   8.134   4.081 -13.074
  120   1HH2  ARG  13          HH21      ARG  13   5.907   4.485 -10.398
  121   2HH2  ARG  13          HH22      ARG  13   6.791   5.289 -11.662
  122    H    GLY  14           HN       GLY  14  10.062  -2.573  -9.036
  123   1HA   GLY  14          HA2       GLY  14  11.253  -3.084  -6.520
  124   2HA   GLY  14          HA1       GLY  14  11.921  -3.487  -8.090
  125    H    SER  15           HN       SER  15  11.761  -1.096  -5.567
  126    HA   SER  15           HA       SER  15  14.404  -0.160  -6.468
  127   1HB   SER  15          HB2       SER  15  13.942   1.775  -4.872
  128   2HB   SER  15          HB1       SER  15  12.928   1.731  -6.314
  129    HG   SER  15           HG       SER  15  11.454   1.971  -4.773
  130    H    LYS  16           HN       LYS  16  13.289  -2.510  -4.920
  131    HA   LYS  16           HA       LYS  16  15.148  -2.793  -2.825
  132   1HB   LYS  16          HB2       LYS  16  13.756  -2.578  -0.893
  133   2HB   LYS  16          HB1       LYS  16  13.559  -1.103  -1.817
  134   1HG   LYS  16          HG2       LYS  16  11.608  -3.323  -1.362
  135   2HG   LYS  16          HG1       LYS  16  11.412  -1.593  -1.098
  136   1HD   LYS  16          HD2       LYS  16  11.607  -1.394  -3.659
  137   2HD   LYS  16          HD1       LYS  16  11.326  -3.138  -3.672
  138   1HE   LYS  16          HE2       LYS  16   9.281  -2.613  -2.223
  139   2HE   LYS  16          HE1       LYS  16   9.501  -0.946  -2.758
  140   1HZ   LYS  16          HZ1       LYS  16   9.243  -1.610  -5.016
  141   2HZ   LYS  16          HZ2       LYS  16   7.952  -2.276  -4.143
  142   3HZ   LYS  16          HZ3       LYS  16   9.253  -3.254  -4.605
  143    H    LYS  17           HN       LYS  17  13.808  -4.699  -1.264
  144    HA   LYS  17           HA       LYS  17  13.621  -6.780  -3.266
  145   1HB   LYS  17          HB2       LYS  17  13.611  -8.340  -1.325
  146   2HB   LYS  17          HB1       LYS  17  15.020  -7.296  -1.423
  147   1HG   LYS  17          HG2       LYS  17  14.177  -5.902   0.345
  148   2HG   LYS  17          HG1       LYS  17  12.657  -6.802   0.376
  149   1HD   LYS  17          HD2       LYS  17  14.201  -7.474   2.188
  150   2HD   LYS  17          HD1       LYS  17  13.813  -8.804   1.098
  151   1HE   LYS  17          HE2       LYS  17  15.940  -8.330  -0.117
  152   2HE   LYS  17          HE1       LYS  17  16.333  -7.150   1.130
  153   1HZ   LYS  17          HZ1       LYS  17  15.858 -10.044   1.621
  154   2HZ   LYS  17          HZ2       LYS  17  16.339  -8.894   2.768
  155   3HZ   LYS  17          HZ3       LYS  17  17.385  -9.311   1.503
  156    H    TYR  18           HN       TYR  18  11.442  -5.373  -0.830
  157    HA   TYR  18           HA       TYR  18   9.427  -7.365  -1.386
  158   1HB   TYR  18          HB2       TYR  18   9.461  -4.946   0.408
  159   2HB   TYR  18          HB1       TYR  18   8.015  -5.922   0.172
  160    HD1  TYR  18           HD1      TYR  18   7.995  -8.290   0.922
  161    HD2  TYR  18           HD2      TYR  18  11.223  -5.676   1.832
  162    HE1  TYR  18           HE1      TYR  18   8.729  -9.825   2.696
  163    HE2  TYR  18           HE2      TYR  18  11.967  -7.203   3.609
  164    HH   TYR  18           HH       TYR  18  10.708 -10.381   3.951
  165    H    ASN  19           HN       ASN  19   8.624  -7.204  -3.413
  166    HA   ASN  19           HA       ASN  19   7.910  -4.544  -4.399
  167   1HB   ASN  19          HB2       ASN  19   8.305  -7.173  -5.817
  168   2HB   ASN  19          HB1       ASN  19   7.678  -5.732  -6.617
  169   1HD2  ASN  19          HD21      ASN  19  10.133  -7.159  -7.168
  170   2HD2  ASN  19          HD22      ASN  19  11.422  -6.025  -6.937
  171    H    VAL  20           HN       VAL  20   6.355  -6.657  -2.631
  172    HA   VAL  20           HA       VAL  20   3.807  -5.724  -3.698
  173    HB   VAL  20           HB       VAL  20   2.777  -7.980  -3.000
  174   1HG1  VAL  20          HG11      VAL  20   4.542  -7.864  -5.445
  175   2HG1  VAL  20          HG12      VAL  20   2.897  -7.243  -5.320
  176   3HG1  VAL  20          HG13      VAL  20   3.196  -8.977  -5.201
  177   1HG2  VAL  20          HG21      VAL  20   4.741  -8.881  -1.862
  178   2HG2  VAL  20          HG22      VAL  20   5.633  -8.869  -3.383
  179   3HG2  VAL  20          HG23      VAL  20   4.236  -9.931  -3.187
  180    H    VAL  21           HN       VAL  21   2.678  -4.760  -2.128
  181    HA   VAL  21           HA       VAL  21   3.373  -5.453   0.650
  182    HB   VAL  21           HB       VAL  21   4.589  -3.391  -0.246
  183   1HG1  VAL  21          HG11      VAL  21   3.353  -1.279  -0.177
  184   2HG1  VAL  21          HG12      VAL  21   1.851  -2.176   0.050
  185   3HG1  VAL  21          HG13      VAL  21   2.764  -2.352  -1.448
  186   1HG2  VAL  21          HG21      VAL  21   4.548  -3.863   2.089
  187   2HG2  VAL  21          HG22      VAL  21   2.908  -3.232   2.238
  188   3HG2  VAL  21          HG23      VAL  21   4.242  -2.140   1.868
  189    HA   PRO  22           HA       PRO  22  -1.043  -5.332   1.289
  190   1HB   PRO  22          HB2       PRO  22  -1.018  -5.292   4.005
  191   2HB   PRO  22          HB1       PRO  22  -0.708  -6.750   3.056
  192   1HG   PRO  22          HG2       PRO  22   1.236  -4.894   4.367
  193   2HG   PRO  22          HG1       PRO  22   1.245  -6.667   4.307
  194   1HD   PRO  22          HD2       PRO  22   2.796  -5.142   2.693
  195   2HD   PRO  22          HD1       PRO  22   2.148  -6.716   2.191
  196    H    VAL  23           HN       VAL  23  -2.265  -3.631   1.038
  197    HA   VAL  23           HA       VAL  23  -1.723  -1.172   2.563
  198    HB   VAL  23           HB       VAL  23  -2.856   0.078   0.782
  199   1HG1  VAL  23          HG11      VAL  23  -0.643  -1.689  -0.254
  200   2HG1  VAL  23          HG12      VAL  23  -0.443  -0.177   0.637
  201   3HG1  VAL  23          HG13      VAL  23  -1.159  -0.165  -0.976
  202   1HG2  VAL  23          HG21      VAL  23  -4.379  -1.661  -0.004
  203   2HG2  VAL  23          HG22      VAL  23  -3.019  -2.567  -0.665
  204   3HG2  VAL  23          HG23      VAL  23  -3.443  -0.996  -1.343
  205    H    LYS  24           HN       LYS  24  -3.615   0.003   3.285
  206    HA   LYS  24           HA       LYS  24  -6.112  -1.504   3.322
  207   1HB   LYS  24          HB2       LYS  24  -6.321  -1.269   5.779
  208   2HB   LYS  24          HB1       LYS  24  -4.996  -2.323   5.306
  209   1HG   LYS  24          HG2       LYS  24  -3.385  -0.631   5.793
  210   2HG   LYS  24          HG1       LYS  24  -4.649   0.570   6.047
  211   1HD   LYS  24          HD2       LYS  24  -3.737  -0.234   8.170
  212   2HD   LYS  24          HD1       LYS  24  -5.441  -0.650   8.002
  213   1HE   LYS  24          HE2       LYS  24  -3.389  -2.630   7.139
  214   2HE   LYS  24          HE1       LYS  24  -3.672  -2.405   8.864
  215   1HZ   LYS  24          HZ1       LYS  24  -5.030  -4.187   7.945
  216   2HZ   LYS  24          HZ2       LYS  24  -5.751  -3.109   6.859
  217   3HZ   LYS  24          HZ3       LYS  24  -5.999  -2.924   8.526
  218    H    SER  25           HN       SER  25  -7.735  -0.158   4.749
  219    HA   SER  25           HA       SER  25  -7.514   2.631   3.852
  220   1HB   SER  25          HB2       SER  25  -9.992   2.656   4.025
  221   2HB   SER  25          HB1       SER  25  -9.411   1.449   2.882
  222    HG   SER  25           HG       SER  25 -10.714   1.138   5.304
  223    H    ASN  26           HN       ASN  26  -7.353   4.180   5.318
  224    HA   ASN  26           HA       ASN  26  -7.014   3.616   8.058
  225   1HB   ASN  26          HB2       ASN  26  -6.861   6.039   8.361
  226   2HB   ASN  26          HB1       ASN  26  -5.938   5.532   6.953
  227   1HD2  ASN  26          HD21      ASN  26  -6.950   8.151   7.540
  228   2HD2  ASN  26          HD22      ASN  26  -7.977   8.590   6.227
  229    H    LYS  27           HN       LYS  27  -9.785   4.385   6.182
  230    HA   LYS  27           HA       LYS  27 -11.418   4.445   8.629
  231   1HB   LYS  27          HB2       LYS  27 -11.977   5.851   6.000
  232   2HB   LYS  27          HB1       LYS  27 -13.008   5.886   7.428
  233   1HG   LYS  27          HG2       LYS  27 -11.464   7.169   8.645
  234   2HG   LYS  27          HG1       LYS  27 -10.167   6.849   7.493
  235   1HD   LYS  27          HD2       LYS  27 -11.506   8.120   5.787
  236   2HD   LYS  27          HD1       LYS  27 -12.603   8.583   7.093
  237   1HE   LYS  27          HE2       LYS  27 -10.795   9.666   8.279
  238   2HE   LYS  27          HE1       LYS  27  -9.634   9.118   7.073
  239   1HZ   LYS  27          HZ1       LYS  27 -10.987  10.439   5.425
  240   2HZ   LYS  27          HZ2       LYS  27 -10.101  11.335   6.559
  241   3HZ   LYS  27          HZ3       LYS  27 -11.775  11.143   6.756
  242    HA   PRO  28           HA       PRO  28 -13.263   0.778   6.991
  243   1HB   PRO  28          HB2       PRO  28 -15.738   0.967   8.157
  244   2HB   PRO  28          HB1       PRO  28 -14.287   0.426   9.008
  245   1HG   PRO  28          HG2       PRO  28 -15.603   3.110   9.018
  246   2HG   PRO  28          HG1       PRO  28 -14.878   2.209  10.362
  247   1HD   PRO  28          HD2       PRO  28 -13.598   4.251   9.133
  248   2HD   PRO  28          HD1       PRO  28 -12.732   2.855   9.805
  249    H    VAL  29           HN       VAL  29 -14.108   0.375   5.089
  250    HA   VAL  29           HA       VAL  29 -15.858   2.400   3.852
  251    HB   VAL  29           HB       VAL  29 -15.026   1.374   1.671
  252   1HG1  VAL  29          HG11      VAL  29 -14.269   3.555   2.399
  253   2HG1  VAL  29          HG12      VAL  29 -12.936   2.658   1.670
  254   3HG1  VAL  29          HG13      VAL  29 -13.043   2.806   3.425
  255   1HG2  VAL  29          HG21      VAL  29 -12.868   0.236   1.741
  256   2HG2  VAL  29          HG22      VAL  29 -14.121  -0.684   2.574
  257   3HG2  VAL  29          HG23      VAL  29 -12.934   0.231   3.503
  258    H    GLU  30           HN       GLU  30 -17.664   1.738   2.713
  259    HA   GLU  30           HA       GLU  30 -18.804  -0.825   3.160
  260   1HB   GLU  30          HB2       GLU  30 -19.415   1.189   0.981
  261   2HB   GLU  30          HB1       GLU  30 -20.441  -0.162   1.448
  262   1HG   GLU  30          HG2       GLU  30 -20.853   0.808   3.592
  263   2HG   GLU  30          HG1       GLU  30 -19.670   2.078   3.296
  264    H    ILE  31           HN       ILE  31 -18.247  -2.712   2.185
  265    HA   ILE  31           HA       ILE  31 -16.196  -2.576   0.189
  266    HB   ILE  31           HB       ILE  31 -15.873  -4.246   1.838
  267   1HG1  ILE  31          HG12      ILE  31 -16.690  -5.791  -0.607
  268   2HG1  ILE  31          HG11      ILE  31 -15.351  -4.649  -0.654
  269   1HG2  ILE  31          HG21      ILE  31 -17.371  -6.154   2.152
  270   2HG2  ILE  31          HG22      ILE  31 -18.504  -5.454   0.994
  271   3HG2  ILE  31          HG23      ILE  31 -18.177  -4.628   2.517
  272   1HD1  ILE  31          HD11      ILE  31 -14.564  -6.897  -0.306
  273   2HD1  ILE  31          HD12      ILE  31 -15.571  -7.046   1.134
  274   3HD1  ILE  31          HD13      ILE  31 -14.235  -5.894   1.105
  275    H    SER  32           HN       SER  32 -17.300  -1.596  -1.414
  276    HA   SER  32           HA       SER  32 -18.593  -3.503  -3.231
  277   1HB   SER  32          HB2       SER  32 -19.443  -0.614  -2.894
  278   2HB   SER  32          HB1       SER  32 -20.141  -1.782  -4.013
  279    HG   SER  32           HG       SER  32 -21.373  -1.549  -2.084
  280    H    LYS  33           HN       LYS  33 -16.099  -1.328  -2.698
  281    HA   LYS  33           HA       LYS  33 -15.896  -0.491  -5.493
  282   1HB   LYS  33          HB2       LYS  33 -14.836   0.615  -2.915
  283   2HB   LYS  33          HB1       LYS  33 -14.070   1.033  -4.438
  284   1HG   LYS  33          HG2       LYS  33 -16.081   2.048  -5.244
  285   2HG   LYS  33          HG1       LYS  33 -16.983   1.481  -3.835
  286   1HD   LYS  33          HD2       LYS  33 -15.889   2.954  -2.392
  287   2HD   LYS  33          HD1       LYS  33 -14.549   3.199  -3.508
  288   1HE   LYS  33          HE2       LYS  33 -16.025   5.159  -3.341
  289   2HE   LYS  33          HE1       LYS  33 -15.948   4.502  -4.973
  290   1HZ   LYS  33          HZ1       LYS  33 -18.077   3.502  -4.694
  291   2HZ   LYS  33          HZ2       LYS  33 -18.209   5.126  -4.223
  292   3HZ   LYS  33          HZ3       LYS  33 -18.125   3.909  -3.048
  293    H    TRP  34           HN       TRP  34 -15.014  -3.132  -4.155
  294    HA   TRP  34           HA       TRP  34 -12.196  -3.133  -4.079
  295   1HB   TRP  34          HB2       TRP  34 -12.347  -5.586  -4.173
  296   2HB   TRP  34          HB1       TRP  34 -13.471  -4.908  -3.004
  297    HD1  TRP  34           HD1      TRP  34 -16.113  -4.989  -3.672
  298    HE1  TRP  34           HE1      TRP  34 -17.401  -6.632  -5.186
  299    HE3  TRP  34           HE3      TRP  34 -12.164  -6.972  -6.251
  300    HZ2  TRP  34           HZ2      TRP  34 -16.808  -8.513  -7.204
  301    HZ3  TRP  34           HZ3      TRP  34 -12.613  -8.689  -7.953
  302    HH2  TRP  34           HH2      TRP  34 -14.887  -9.443  -8.419
  303    H    ILE  35           HN       ILE  35 -14.467  -3.370  -6.678
  304    HA   ILE  35           HA       ILE  35 -12.632  -4.280  -8.664
  305    HB   ILE  35           HB       ILE  35 -15.209  -2.735  -9.024
  306   1HG1  ILE  35          HG12      ILE  35 -14.709  -5.721  -9.099
  307   2HG1  ILE  35          HG11      ILE  35 -15.505  -4.858  -7.788
  308   1HG2  ILE  35          HG21      ILE  35 -13.623  -4.400 -10.977
  309   2HG2  ILE  35          HG22      ILE  35 -13.798  -2.646 -11.000
  310   3HG2  ILE  35          HG23      ILE  35 -15.199  -3.675 -11.290
  311   1HD1  ILE  35          HD11      ILE  35 -17.108  -5.970  -9.239
  312   2HD1  ILE  35          HD12      ILE  35 -16.506  -5.052 -10.620
  313   3HD1  ILE  35          HD13      ILE  35 -17.307  -4.219  -9.289
  314    H    ASP  36           HN       ASP  36 -13.907  -1.093  -7.750
  315    HA   ASP  36           HA       ASP  36 -12.464   0.363  -9.714
  316   1HB   ASP  36          HB2       ASP  36 -13.668   1.290  -7.087
  317   2HB   ASP  36          HB1       ASP  36 -13.083   2.357  -8.359
  318    H    PHE  37           HN       PHE  37 -11.803  -0.445  -6.325
  319    HA   PHE  37           HA       PHE  37  -9.532   1.206  -6.065
  320   1HB   PHE  37          HB2       PHE  37 -10.418  -1.254  -4.568
  321   2HB   PHE  37          HB1       PHE  37  -8.930  -0.403  -4.170
  322    HD1  PHE  37           HD2      PHE  37 -10.355   2.341  -4.988
  323    HD2  PHE  37           HD1      PHE  37 -11.215  -0.819  -2.271
  324    HE1  PHE  37           HE2      PHE  37 -11.610   3.905  -3.572
  325    HE2  PHE  37           HE1      PHE  37 -12.473   0.745  -0.849
  326    HZ   PHE  37           HZ       PHE  37 -12.672   3.113  -1.500
  327    H    SER  38           HN       SER  38  -9.814  -2.264  -6.889
  328    HA   SER  38           HA       SER  38  -7.029  -2.625  -7.287
  329   1HB   SER  38          HB2       SER  38  -7.744  -4.682  -8.563
  330   2HB   SER  38          HB1       SER  38  -8.399  -4.570  -6.929
  331    HG   SER  38           HG       SER  38 -10.360  -4.266  -7.708
  332    H    ASN  39           HN       ASN  39  -9.640  -1.526  -9.294
  333    HA   ASN  39           HA       ASN  39  -8.498  -1.521 -11.827
  334   1HB   ASN  39          HB2       ASN  39 -10.867  -0.878 -11.116
  335   2HB   ASN  39          HB1       ASN  39 -10.213   0.700 -10.700
  336   1HD2  ASN  39          HD21      ASN  39 -11.251  -1.391 -13.176
  337   2HD2  ASN  39          HD22      ASN  39 -11.082  -0.284 -14.491
  338    H    VAL  40           HN       VAL  40  -8.415   0.985  -9.315
  339    HA   VAL  40           HA       VAL  40  -6.632   2.701 -10.718
  340    HB   VAL  40           HB       VAL  40  -7.224   2.627  -7.751
  341   1HG1  VAL  40          HG11      VAL  40  -5.236   3.926  -8.253
  342   2HG1  VAL  40          HG12      VAL  40  -6.565   4.994  -7.798
  343   3HG1  VAL  40          HG13      VAL  40  -6.112   4.822  -9.494
  344   1HG2  VAL  40          HG21      VAL  40  -8.868   4.386  -8.240
  345   2HG2  VAL  40          HG22      VAL  40  -9.274   2.859  -9.024
  346   3HG2  VAL  40          HG23      VAL  40  -8.565   4.173  -9.965
  347    H    LEU  41           HN       LEU  41  -6.215   0.193  -8.262
  348    HA   LEU  41           HA       LEU  41  -3.493   0.630  -7.727
  349   1HB   LEU  41          HB2       LEU  41  -5.099  -1.921  -7.616
  350   2HB   LEU  41          HB1       LEU  41  -3.467  -1.765  -7.000
  351    HG   LEU  41           HG       LEU  41  -5.899  -0.293  -5.984
  352   1HD1  LEU  41          HD11      LEU  41  -4.231  -2.485  -4.759
  353   2HD1  LEU  41          HD12      LEU  41  -5.882  -2.639  -5.356
  354   3HD1  LEU  41          HD13      LEU  41  -5.542  -1.623  -3.955
  355   1HD2  LEU  41          HD21      LEU  41  -3.885   1.084  -5.832
  356   2HD2  LEU  41          HD22      LEU  41  -3.049  -0.228  -5.002
  357   3HD2  LEU  41          HD23      LEU  41  -4.429   0.559  -4.239
  358    H    SER  42           HN       SER  42  -5.070  -0.857 -10.434
  359    HA   SER  42           HA       SER  42  -2.753  -2.268 -11.374
  360   1HB   SER  42          HB2       SER  42  -5.324  -1.550 -12.808
  361   2HB   SER  42          HB1       SER  42  -4.104  -2.680 -13.395
  362    HG   SER  42           HG       SER  42  -5.672  -2.927 -11.034
  363    H    ARG  43           HN       ARG  43  -3.279   0.924 -11.136
  364    HA   ARG  43           HA       ARG  43  -1.313   1.434 -13.236
  365   1HB   ARG  43          HB2       ARG  43  -2.453   3.462 -13.976
  366   2HB   ARG  43          HB1       ARG  43  -3.474   2.054 -14.219
  367   1HG   ARG  43          HG2       ARG  43  -4.661   2.642 -12.104
  368   2HG   ARG  43          HG1       ARG  43  -3.724   4.138 -12.066
  369   1HD   ARG  43          HD2       ARG  43  -4.614   4.687 -14.313
  370   2HD   ARG  43          HD1       ARG  43  -5.629   3.250 -14.226
  371    HE   ARG  43           HE       ARG  43  -5.887   5.649 -12.543
  372   1HH1  ARG  43          HH11      ARG  43  -7.181   2.641 -13.779
  373   2HH1  ARG  43          HH12      ARG  43  -8.793   2.942 -13.214
  374   1HH2  ARG  43          HH21      ARG  43  -8.019   6.069 -11.821
  375   2HH2  ARG  43          HH22      ARG  43  -9.277   4.898 -12.104
  376    H    LEU  44           HN       LEU  44  -1.609   1.254 -10.208
  377    HA   LEU  44           HA       LEU  44  -0.462   3.886  -9.556
  378   1HB   LEU  44          HB2       LEU  44  -2.630   3.320  -8.431
  379   2HB   LEU  44          HB1       LEU  44  -1.831   1.955  -7.678
  380    HG   LEU  44           HG       LEU  44  -0.299   3.519  -6.526
  381   1HD1  LEU  44          HD11      LEU  44  -0.383   5.362  -8.116
  382   2HD1  LEU  44          HD12      LEU  44  -0.834   5.906  -6.501
  383   3HD1  LEU  44          HD13      LEU  44  -2.079   5.639  -7.719
  384   1HD2  LEU  44          HD21      LEU  44  -3.235   4.049  -6.094
  385   2HD2  LEU  44          HD22      LEU  44  -1.949   4.357  -4.929
  386   3HD2  LEU  44          HD23      LEU  44  -2.316   2.704  -5.421
  387    H    TYR  45           HN       TYR  45   1.373   2.488 -10.619
  388    HA   TYR  45           HA       TYR  45   2.597   0.596  -8.808
  389   1HB   TYR  45          HB2       TYR  45   3.455   1.668 -11.498
  390   2HB   TYR  45          HB1       TYR  45   4.405   0.519 -10.561
  391    HD1  TYR  45           HD1      TYR  45   1.178   0.977 -12.331
  392    HD2  TYR  45           HD2      TYR  45   3.903  -1.779 -10.575
  393    HE1  TYR  45           HE1      TYR  45  -0.075  -0.890 -13.329
  394    HE2  TYR  45           HE2      TYR  45   2.658  -3.650 -11.566
  395    HH   TYR  45           HH       TYR  45   0.223  -3.188 -13.956
  396    H    VAL  46           HN       VAL  46   3.151   1.771  -7.005
  397    HA   VAL  46           HA       VAL  46   4.960   4.037  -7.312
  398    HB   VAL  46           HB       VAL  46   3.116   4.172  -5.662
  399   1HG1  VAL  46          HG11      VAL  46   3.021   1.845  -4.974
  400   2HG1  VAL  46          HG12      VAL  46   3.225   2.902  -3.579
  401   3HG1  VAL  46          HG13      VAL  46   4.600   1.994  -4.205
  402   1HG2  VAL  46          HG21      VAL  46   4.436   5.030  -3.790
  403   2HG2  VAL  46          HG22      VAL  46   5.099   5.536  -5.346
  404   3HG2  VAL  46          HG23      VAL  46   5.870   4.232  -4.442
  405    H    GLY  47           HN       GLY  47   7.106   4.020  -6.442
  406   1HA   GLY  47          HA2       GLY  47   8.117   1.315  -5.844
  407   2HA   GLY  47          HA1       GLY  47   8.904   2.335  -7.027
  408    H    VAL  48           HN       VAL  48   7.619   3.037  -3.825
  409    HA   VAL  48           HA       VAL  48  10.357   3.644  -2.959
  410    HB   VAL  48           HB       VAL  48   9.498   5.529  -1.578
  411   1HG1  VAL  48          HG11      VAL  48  10.613   5.950  -3.702
  412   2HG1  VAL  48          HG12      VAL  48   9.338   7.137  -3.420
  413   3HG1  VAL  48          HG13      VAL  48   9.075   5.811  -4.553
  414   1HG2  VAL  48          HG21      VAL  48   7.329   6.527  -2.135
  415   2HG2  VAL  48          HG22      VAL  48   7.147   4.903  -1.472
  416   3HG2  VAL  48          HG23      VAL  48   6.982   5.169  -3.207
  417    HA   PRO  49           HA       PRO  49   9.252   0.969   0.472
  418   1HB   PRO  49          HB2       PRO  49  11.766   2.029   1.595
  419   2HB   PRO  49          HB1       PRO  49  11.312   0.358   1.241
  420   1HG   PRO  49          HG2       PRO  49  13.118   1.639  -0.252
  421   2HG   PRO  49          HG1       PRO  49  11.949   0.519  -0.982
  422   1HD   PRO  49          HD2       PRO  49  11.884   3.519  -0.880
  423   2HD   PRO  49          HD1       PRO  49  11.549   2.438  -2.250
  424    H    THR  50           HN       THR  50   8.115   1.409   2.269
  425    HA   THR  50           HA       THR  50   8.357   4.074   3.474
  426    HB   THR  50           HB       THR  50   5.761   3.862   3.696
  427    HG1  THR  50           HG1      THR  50   5.550   2.782   1.242
  428   1HG2  THR  50          HG21      THR  50   5.482   5.078   1.562
  429   2HG2  THR  50          HG22      THR  50   7.114   4.600   1.090
  430   3HG2  THR  50          HG23      THR  50   6.869   5.660   2.480
  431    H    LYS  51           HN       LYS  51   6.735   4.109   5.469
  432    HA   LYS  51           HA       LYS  51   7.152   1.625   6.992
  433   1HB   LYS  51          HB2       LYS  51   7.170   4.469   8.031
  434   2HB   LYS  51          HB1       LYS  51   7.358   3.022   9.014
  435   1HG   LYS  51          HG2       LYS  51   9.417   2.476   7.804
  436   2HG   LYS  51          HG1       LYS  51   9.230   3.942   6.842
  437   1HD   LYS  51          HD2       LYS  51   9.566   3.842   9.839
  438   2HD   LYS  51          HD1       LYS  51  10.841   4.221   8.680
  439   1HE   LYS  51          HE2       LYS  51   9.473   6.152   7.904
  440   2HE   LYS  51          HE1       LYS  51   8.325   5.805   9.197
  441   1HZ   LYS  51          HZ1       LYS  51   9.791   7.496   9.957
  442   2HZ   LYS  51          HZ2       LYS  51  11.165   6.625   9.487
  443   3HZ   LYS  51          HZ3       LYS  51  10.214   6.073  10.782
  444    H    SER  52           HN       SER  52   5.560   1.604   8.969
  445    HA   SER  52           HA       SER  52   3.043   1.214   7.817
  446   1HB   SER  52          HB2       SER  52   3.950   0.048   9.856
  447   2HB   SER  52          HB1       SER  52   3.583   1.510  10.773
  448    HG   SER  52           HG       SER  52   1.503   1.070  10.685
  449    H    GLY  53           HN       GLY  53   1.375   2.496   7.451
  450   1HA   GLY  53          HA2       GLY  53  -0.244   4.092   8.094
  451   2HA   GLY  53          HA1       GLY  53   0.932   4.816   9.179
  452    H    ASN  54           HN       ASN  54   1.767   4.019   5.895
  453    HA   ASN  54           HA       ASN  54   2.136   6.881   5.375
  454   1HB   ASN  54          HB2       ASN  54   3.617   6.256   3.582
  455   2HB   ASN  54          HB1       ASN  54   4.067   5.342   5.017
  456   1HD2  ASN  54          HD21      ASN  54   3.771   3.138   5.054
  457   2HD2  ASN  54          HD22      ASN  54   3.436   2.225   3.622
  458    H    VAL  55           HN       VAL  55   1.071   7.964   3.780
  459    HA   VAL  55           HA       VAL  55  -1.297   6.726   2.709
  460    HB   VAL  55           HB       VAL  55  -0.138   9.489   2.297
  461   1HG1  VAL  55          HG11      VAL  55  -2.251  10.063   1.209
  462   2HG1  VAL  55          HG12      VAL  55  -2.756   8.377   1.298
  463   3HG1  VAL  55          HG13      VAL  55  -1.372   8.833   0.304
  464   1HG2  VAL  55          HG21      VAL  55  -1.026   9.175   4.517
  465   2HG2  VAL  55          HG22      VAL  55  -2.512   8.489   3.860
  466   3HG2  VAL  55          HG23      VAL  55  -2.136  10.191   3.590
  467    H    VAL  56           HN       VAL  56  -1.296   5.498   0.967
  468    HA   VAL  56           HA       VAL  56   0.765   5.760  -1.065
  469    HB   VAL  56           HB       VAL  56  -1.645   3.924  -1.024
  470   1HG1  VAL  56          HG11      VAL  56   0.890   3.827  -2.653
  471   2HG1  VAL  56          HG12      VAL  56  -0.715   4.248  -3.250
  472   3HG1  VAL  56          HG13      VAL  56  -0.391   2.614  -2.670
  473   1HG2  VAL  56          HG21      VAL  56  -0.139   2.187  -0.231
  474   2HG2  VAL  56          HG22      VAL  56  -0.186   3.531   0.909
  475   3HG2  VAL  56          HG23      VAL  56   1.191   3.342  -0.176
  476    H    CYS  57           HN       CYS  57  -2.802   5.760  -1.013
  477    HA   CYS  57           HA       CYS  57  -2.737   7.876  -3.050
  478   1HB   CYS  57          HB2       CYS  57  -3.325   5.589  -3.998
  479   2HB   CYS  57          HB1       CYS  57  -4.795   5.664  -3.037
  480    HG   CYS  57           HG       CYS  57  -4.663   8.463  -4.678
  481    H    LYS  58           HN       LYS  58  -3.471   9.612  -2.069
  482    HA   LYS  58           HA       LYS  58  -5.284   9.428   0.189
  483   1HB   LYS  58          HB2       LYS  58  -3.243  10.985  -0.045
  484   2HB   LYS  58          HB1       LYS  58  -4.249  11.954  -1.104
  485   1HG   LYS  58          HG2       LYS  58  -5.111  11.266   1.686
  486   2HG   LYS  58          HG1       LYS  58  -4.071  12.649   1.339
  487   1HD   LYS  58          HD2       LYS  58  -5.774  13.524  -0.192
  488   2HD   LYS  58          HD1       LYS  58  -6.812  12.153   0.199
  489   1HE   LYS  58          HE2       LYS  58  -5.787  14.090   2.260
  490   2HE   LYS  58          HE1       LYS  58  -7.320  14.303   1.417
  491   1HZ   LYS  58          HZ1       LYS  58  -7.562  13.230   3.589
  492   2HZ   LYS  58          HZ2       LYS  58  -6.608  11.925   3.063
  493   3HZ   LYS  58          HZ3       LYS  58  -8.106  12.239   2.327
  494    H    ASN  59           HN       ASN  59  -7.435   9.481  -0.027
  495    HA   ASN  59           HA       ASN  59  -9.513   9.686  -0.924
  496   1HB   ASN  59          HB2       ASN  59  -8.198  12.216  -1.885
  497   2HB   ASN  59          HB1       ASN  59  -9.849  11.829  -2.358
  498   1HD2  ASN  59          HD21      ASN  59 -10.628  13.621  -1.253
  499   2HD2  ASN  59          HD22      ASN  59 -10.760  13.642   0.472
  500    H    ILE  60           HN       ILE  60  -8.205   7.823  -2.116
  501    HA   ILE  60           HA       ILE  60  -7.337   7.948  -4.704
  502    HB   ILE  60           HB       ILE  60  -6.954   5.981  -3.431
  503   1HG1  ILE  60          HG12      ILE  60  -8.836   5.279  -5.689
  504   2HG1  ILE  60          HG11      ILE  60  -7.125   5.654  -5.863
  505   1HG2  ILE  60          HG21      ILE  60  -8.743   4.416  -2.787
  506   2HG2  ILE  60          HG22      ILE  60  -9.938   5.577  -3.370
  507   3HG2  ILE  60          HG23      ILE  60  -8.896   5.992  -2.007
  508   1HD1  ILE  60          HD11      ILE  60  -6.571   3.688  -4.514
  509   2HD1  ILE  60          HD12      ILE  60  -7.499   3.268  -5.954
  510   3HD1  ILE  60          HD13      ILE  60  -8.288   3.310  -4.377
  511    H    MET  61           HN       MET  61 -10.679   7.219  -3.690
  512    HA   MET  61           HA       MET  61 -11.537   7.918  -6.409
  513   1HB   MET  61          HB2       MET  61 -12.425   5.546  -4.762
  514   2HB   MET  61          HB1       MET  61 -13.304   6.122  -6.172
  515   1HG   MET  61          HG2       MET  61 -10.438   5.195  -6.183
  516   2HG   MET  61          HG1       MET  61 -11.821   4.215  -6.664
  517   1HE   MET  61          HE1       MET  61 -13.668   6.213  -8.210
  518   2HE   MET  61          HE2       MET  61 -13.255   4.623  -8.850
  519   3HE   MET  61          HE3       MET  61 -13.087   6.053  -9.868
  520    H    ASN  62           HN       ASN  62 -11.490   9.725  -4.390
  521    HA   ASN  62           HA       ASN  62 -12.758  11.323  -3.382
  522   1HB   ASN  62          HB2       ASN  62 -14.909  10.123  -5.141
  523   2HB   ASN  62          HB1       ASN  62 -15.097  11.618  -4.232
  524   1HD2  ASN  62          HD21      ASN  62 -14.062  13.470  -4.926
  525   2HD2  ASN  62          HD22      ASN  62 -13.303  13.587  -6.484
  526    H    THR  63           HN       THR  63 -12.494   8.729  -2.101
  527    HA   THR  63           HA       THR  63 -15.047   8.157  -0.872
  528    HB   THR  63           HB       THR  63 -13.673   6.449   0.401
  529    HG1  THR  63           HG1      THR  63 -11.558   6.195  -0.145
  530   1HG2  THR  63          HG21      THR  63 -13.426   4.963  -1.525
  531   2HG2  THR  63          HG22      THR  63 -13.547   6.344  -2.616
  532   3HG2  THR  63          HG23      THR  63 -14.930   5.874  -1.628
  533    H    GLY  64           HN       GLY  64 -12.351  10.151  -0.228
  534   1HA   GLY  64          HA2       GLY  64 -11.862  11.500   1.595
  535   2HA   GLY  64          HA1       GLY  64 -13.294  10.864   2.398
  536    H    VAL  65           HN       VAL  65 -11.416   8.407   1.181
  537    HA   VAL  65           HA       VAL  65 -10.317   7.807   3.842
  538    HB   VAL  65           HB       VAL  65 -10.950   6.002   1.491
  539   1HG1  VAL  65          HG11      VAL  65  -8.950   5.214   2.652
  540   2HG1  VAL  65          HG12      VAL  65 -10.314   4.129   2.905
  541   3HG1  VAL  65          HG13      VAL  65  -9.825   5.243   4.183
  542   1HG2  VAL  65          HG21      VAL  65 -12.188   6.229   4.227
  543   2HG2  VAL  65          HG22      VAL  65 -12.592   5.007   3.021
  544   3HG2  VAL  65          HG23      VAL  65 -12.922   6.710   2.697
  545    H    ASP  66           HN       ASP  66  -8.205   7.463   4.122
  546    HA   ASP  66           HA       ASP  66  -6.421   8.051   1.879
  547   1HB   ASP  66          HB2       ASP  66  -5.767   7.806   4.829
  548   2HB   ASP  66          HB1       ASP  66  -4.715   8.443   3.571
  549    H    ILE  67           HN       ILE  67  -5.938   6.236   0.769
  550    HA   ILE  67           HA       ILE  67  -5.874   3.649   1.987
  551    HB   ILE  67           HB       ILE  67  -4.837   4.528  -0.717
  552   1HG1  ILE  67          HG12      ILE  67  -7.238   4.882  -0.494
  553   2HG1  ILE  67          HG11      ILE  67  -6.923   3.529  -1.576
  554   1HG2  ILE  67          HG21      ILE  67  -3.774   2.462   0.005
  555   2HG2  ILE  67          HG22      ILE  67  -4.906   2.153  -1.310
  556   3HG2  ILE  67          HG23      ILE  67  -5.351   1.752   0.348
  557   1HD1  ILE  67          HD11      ILE  67  -8.792   3.054  -0.111
  558   2HD1  ILE  67          HD12      ILE  67  -7.775   3.332   1.304
  559   3HD1  ILE  67          HD13      ILE  67  -7.443   1.970   0.235
  560    H    ILE  68           HN       ILE  68  -4.353   3.113   3.371
  561    HA   ILE  68           HA       ILE  68  -1.679   4.284   3.008
  562    HB   ILE  68           HB       ILE  68  -1.407   4.097   5.463
  563   1HG1  ILE  68          HG12      ILE  68  -4.374   3.490   5.451
  564   2HG1  ILE  68          HG11      ILE  68  -3.102   2.341   5.855
  565   1HG2  ILE  68          HG21      ILE  68  -2.005   6.215   4.461
  566   2HG2  ILE  68          HG22      ILE  68  -2.813   6.034   6.018
  567   3HG2  ILE  68          HG23      ILE  68  -3.716   5.791   4.524
  568   1HD1  ILE  68          HD11      ILE  68  -2.472   3.707   7.771
  569   2HD1  ILE  68          HD12      ILE  68  -4.166   3.227   7.851
  570   3HD1  ILE  68          HD13      ILE  68  -3.736   4.867   7.365
  571    H    CYS  69           HN       CYS  69   0.101   3.048   3.265
  572    HA   CYS  69           HA       CYS  69  -0.253   0.159   3.370
  573   1HB   CYS  69          HB2       CYS  69   1.289   0.879   1.702
  574   2HB   CYS  69          HB1       CYS  69   2.116   1.952   2.823
  575    HG   CYS  69           HG       CYS  69   3.932  -0.014   2.412
  576    H    THR  70           HN       THR  70   0.575  -1.132   5.021
  577    HA   THR  70           HA       THR  70   1.249   0.369   7.469
  578    HB   THR  70           HB       THR  70  -1.053  -0.537   7.494
  579    HG1  THR  70           HG1      THR  70   0.733  -0.746   9.375
  580   1HG2  THR  70          HG21      THR  70  -0.740  -2.481   6.059
  581   2HG2  THR  70          HG22      THR  70  -1.413  -2.971   7.615
  582   3HG2  THR  70          HG23      THR  70   0.297  -3.230   7.274
  583    H    LYS  71           HN       LYS  71   2.633  -1.491   5.254
  584    HA   LYS  71           HA       LYS  71   4.136  -3.113   7.182
  585   1HB   LYS  71          HB2       LYS  71   3.201  -4.223   5.134
  586   2HB   LYS  71          HB1       LYS  71   4.250  -3.202   4.161
  587   1HG   LYS  71          HG2       LYS  71   6.212  -4.193   5.243
  588   2HG   LYS  71          HG1       LYS  71   5.151  -5.231   6.198
  589   1HD   LYS  71          HD2       LYS  71   4.265  -6.175   4.073
  590   2HD   LYS  71          HD1       LYS  71   5.464  -5.220   3.198
  591   1HE   LYS  71          HE2       LYS  71   6.248  -7.497   3.496
  592   2HE   LYS  71          HE1       LYS  71   7.257  -6.373   4.405
  593   1HZ   LYS  71          HZ1       LYS  71   5.008  -7.845   5.653
  594   2HZ   LYS  71          HZ2       LYS  71   6.294  -7.045   6.423
  595   3HZ   LYS  71          HZ3       LYS  71   6.573  -8.485   5.574
  596    H    ASN  72           HN       ASN  72   6.415  -2.925   7.293
  597    HA   ASN  72           HA       ASN  72   7.387  -0.303   6.405
  598   1HB   ASN  72          HB2       ASN  72   8.502  -2.231   8.459
  599   2HB   ASN  72          HB1       ASN  72   9.273  -0.719   8.003
  600   1HD2  ASN  72          HD21      ASN  72   5.810  -1.214   8.406
  601   2HD2  ASN  72          HD22      ASN  72   5.636  -0.219   9.808
  602    H    LEU  73           HN       LEU  73   8.418  -0.309   4.519
  603    HA   LEU  73           HA       LEU  73   9.540  -2.805   3.514
  604   1HB   LEU  73          HB2       LEU  73   9.223  -0.099   2.217
  605   2HB   LEU  73          HB1       LEU  73   9.899  -1.501   1.419
  606    HG   LEU  73           HG       LEU  73   7.635  -2.632   1.909
  607   1HD1  LEU  73          HD11      LEU  73   6.885   0.260   2.299
  608   2HD1  LEU  73          HD12      LEU  73   6.748  -1.037   3.486
  609   3HD1  LEU  73          HD13      LEU  73   5.741  -1.058   2.038
  610   1HD2  LEU  73          HD21      LEU  73   7.850  -0.354  -0.053
  611   2HD2  LEU  73          HD22      LEU  73   6.647  -1.642  -0.113
  612   3HD2  LEU  73          HD23      LEU  73   8.357  -2.023  -0.319
  613    HA   PRO  74           HA       PRO  74  13.648  -1.423   4.730
  614   1HB   PRO  74          HB2       PRO  74  14.523  -4.068   3.934
  615   2HB   PRO  74          HB1       PRO  74  14.450  -3.373   5.554
  616   1HG   PRO  74          HG2       PRO  74  12.831  -5.406   4.719
  617   2HG   PRO  74          HG1       PRO  74  12.373  -4.239   5.973
  618   1HD   PRO  74          HD2       PRO  74  11.607  -4.307   3.077
  619   2HD   PRO  74          HD1       PRO  74  10.614  -3.922   4.500
  620    H    LYS  75           HN       LYS  75  15.480  -0.860   3.559
  621    HA   LYS  75           HA       LYS  75  15.663  -1.645   0.763
  622   1HB   LYS  75          HB2       LYS  75  14.244   0.354   0.730
  623   2HB   LYS  75          HB1       LYS  75  15.442   1.237   1.663
  624   1HG   LYS  75          HG2       LYS  75  17.030   1.023  -0.196
  625   2HG   LYS  75          HG1       LYS  75  15.800   0.173  -1.133
  626   1HD   LYS  75          HD2       LYS  75  14.389   2.112  -1.145
  627   2HD   LYS  75          HD1       LYS  75  15.465   2.956  -0.029
  628   1HE   LYS  75          HE2       LYS  75  16.180   2.073  -2.825
  629   2HE   LYS  75          HE1       LYS  75  15.745   3.714  -2.351
  630   1HZ   LYS  75          HZ1       LYS  75  17.672   3.574  -0.750
  631   2HZ   LYS  75          HZ2       LYS  75  18.074   3.660  -2.394
  632   3HZ   LYS  75          HZ3       LYS  75  18.159   2.175  -1.583
  633    H    ASP  76           HN       ASP  76  17.681  -1.156  -0.189
  634    HA   ASP  76           HA       ASP  76  19.868  -0.597  -0.377
  635   1HB   ASP  76          HB2       ASP  76  19.206   1.303   1.313
  636   2HB   ASP  76          HB1       ASP  76  20.092   0.312   2.468
  637    H    SER  77           HN       SER  77  22.035  -1.018   1.179
  638    HA   SER  77           HA       SER  77  21.719  -3.912   1.647
  639   1HB   SER  77          HB2       SER  77  24.183  -2.425   0.707
  640   2HB   SER  77          HB1       SER  77  23.979  -4.177   0.806
  641    HG   SER  77           HG       SER  77  21.961  -3.253  -0.614
  642    H    LEU  78           HN       LEU  78  21.682  -1.469   3.542
  643    HA   LEU  78           HA       LEU  78  23.952  -1.760   5.222
  644   1HB   LEU  78          HB2       LEU  78  22.524   0.247   5.227
  645   2HB   LEU  78          HB1       LEU  78  21.203  -0.699   5.885
  646    HG   LEU  78           HG       LEU  78  22.540  -1.114   7.926
  647   1HD1  LEU  78          HD11      LEU  78  24.563   0.213   8.315
  648   2HD1  LEU  78          HD12      LEU  78  24.499   0.789   6.649
  649   3HD1  LEU  78          HD13      LEU  78  24.765  -0.923   6.982
  650   1HD2  LEU  78          HD21      LEU  78  20.950   0.724   7.869
  651   2HD2  LEU  78          HD22      LEU  78  22.183   1.790   7.196
  652   3HD2  LEU  78          HD23      LEU  78  22.363   1.155   8.831
  653    H    GLU  79           HN       GLU  79  24.324  -3.080   6.920
  654    HA   GLU  79           HA       GLU  79  22.821  -5.485   7.128
  655   1HB   GLU  79          HB2       GLU  79  24.398  -6.076   8.906
  656   2HB   GLU  79          HB1       GLU  79  25.246  -5.421   7.512
  657   1HG   GLU  79          HG2       GLU  79  25.480  -3.278   8.637
  658   2HG   GLU  79          HG1       GLU  79  24.581  -3.896  10.022
  659    H    HIS  80           HN       HIS  80  21.486  -6.211   8.765
  660    HA   HIS  80           HA       HIS  80  21.008  -4.514  11.054
  661   1HB   HIS  80          HB2       HIS  80  18.592  -4.384  10.775
  662   2HB   HIS  80          HB1       HIS  80  19.404  -3.629   9.415
  663    HD1  HIS  80           HD1      HIS  80  16.473  -5.237   9.858
  664    HD2  HIS  80           HD2      HIS  80  19.704  -6.148   7.401
  665    HE1  HIS  80           HE1      HIS  80  15.546  -6.677   8.023
  666    HE2  HIS  80           HE2      HIS  80  17.547  -7.386   6.675
  667    H    HIS  81           HN       HIS  81  21.687  -5.994  12.447
  668    HA   HIS  81           HA       HIS  81  20.277  -8.590  12.470
  669   1HB   HIS  81          HB2       HIS  81  22.717  -8.688  11.793
  670   2HB   HIS  81          HB1       HIS  81  23.115  -8.104  13.403
  671    HD1  HIS  81           HD1      HIS  81  22.698 -11.132  11.526
  672    HD2  HIS  81           HD2      HIS  81  22.115 -10.001  15.491
  673    HE1  HIS  81           HE1      HIS  81  22.674 -13.272  12.851
  674    HE2  HIS  81           HE2      HIS  81  22.440 -12.561  15.257
  675    H    HIS  82           HN       HIS  82  19.000  -8.747  14.191
  676    HA   HIS  82           HA       HIS  82  19.342  -6.936  16.416
  677   1HB   HIS  82          HB2       HIS  82  17.240  -8.924  15.638
  678   2HB   HIS  82          HB1       HIS  82  17.293  -8.312  17.288
  679    HD1  HIS  82           HD1      HIS  82  15.294  -7.719  14.619
  680    HD2  HIS  82           HD2      HIS  82  17.797  -5.176  16.756
  681    HE1  HIS  82           HE1      HIS  82  14.411  -5.401  14.219
  682    HE2  HIS  82           HE2      HIS  82  16.069  -3.871  15.343
  683    H    HIS  83           HN       HIS  83  20.908  -7.373  17.747
  684    HA   HIS  83           HA       HIS  83  20.873  -9.913  19.175
  685   1HB   HIS  83          HB2       HIS  83  22.559 -10.154  17.357
  686   2HB   HIS  83          HB1       HIS  83  23.400  -8.740  17.980
  687    HD1  HIS  83           HD1      HIS  83  25.361  -9.342  19.336
  688    HD2  HIS  83           HD2      HIS  83  22.352 -12.206  19.609
  689    HE1  HIS  83           HE1      HIS  83  26.271 -11.146  20.841
  690    HE2  HIS  83           HE2      HIS  83  24.515 -12.961  20.808
  691    H    HIS  84           HN       HIS  84  20.842  -9.462  21.281
  692    HA   HIS  84           HA       HIS  84  21.102  -6.788  22.206
  693   1HB   HIS  84          HB2       HIS  84  20.837  -9.401  23.692
  694   2HB   HIS  84          HB1       HIS  84  20.889  -7.838  24.498
  695    HD1  HIS  84           HD1      HIS  84  18.896  -6.143  23.790
  696    HD2  HIS  84           HD2      HIS  84  18.359 -10.161  22.858
  697    HE1  HIS  84           HE1      HIS  84  16.435  -6.415  23.338
  698    HE2  HIS  84           HE2      HIS  84  16.110  -8.888  22.984
  699    H    HIS  85           HN       HIS  85  22.985  -5.806  22.216
  700    HA   HIS  85           HA       HIS  85  25.252  -7.207  23.460
  701   1HB   HIS  85          HB2       HIS  85  26.707  -5.559  22.186
  702   2HB   HIS  85          HB1       HIS  85  25.908  -6.790  21.222
  703    HD1  HIS  85           HD1      HIS  85  25.952  -3.094  21.856
  704    HD2  HIS  85           HD2      HIS  85  24.024  -5.838  19.392
  705    HE1  HIS  85           HE1      HIS  85  24.826  -1.731  20.064
  706    HE2  HIS  85           HE2      HIS  85  23.725  -3.411  18.543
  Start of MODEL   19
    1   1H    MET   1          HT1       MET   1 -25.308  -1.476   8.468
    2   2H    MET   1          HT2       MET   1 -25.544  -2.883   7.545
    3   3H    MET   1          HT3       MET   1 -24.865  -1.505   6.833
    4    HA   MET   1           HA       MET   1 -22.921  -1.681   8.197
    5   1HB   MET   1          HB2       MET   1 -24.055  -2.698  10.153
    6   2HB   MET   1          HB1       MET   1 -24.232  -4.198   9.255
    7   1HG   MET   1          HG2       MET   1 -21.813  -4.434   9.149
    8   2HG   MET   1          HG1       MET   1 -21.620  -2.917  10.026
    9   1HE   MET   1          HE1       MET   1 -20.075  -4.093  11.845
   10   2HE   MET   1          HE2       MET   1 -20.218  -5.595  10.933
   11   3HE   MET   1          HE3       MET   1 -20.516  -5.587  12.672
   12    H    HIS   2           HN       HIS   2 -22.289  -1.795   6.027
   13    HA   HIS   2           HA       HIS   2 -21.660  -4.507   5.116
   14   1HB   HIS   2          HB2       HIS   2 -23.858  -3.447   4.095
   15   2HB   HIS   2          HB1       HIS   2 -22.711  -2.562   3.095
   16    HD1  HIS   2           HD1      HIS   2 -22.389  -3.674   0.908
   17    HD2  HIS   2           HD2      HIS   2 -23.092  -6.423   3.953
   18    HE1  HIS   2           HE1      HIS   2 -22.382  -5.933  -0.197
   19    HE2  HIS   2           HE2      HIS   2 -23.007  -7.554   1.626
   20    H    LYS   3           HN       LYS   3 -20.364  -1.949   6.173
   21    HA   LYS   3           HA       LYS   3 -18.498  -1.441   3.958
   22   1HB   LYS   3          HB2       LYS   3 -18.947   0.098   6.527
   23   2HB   LYS   3          HB1       LYS   3 -17.756   0.513   5.299
   24   1HG   LYS   3          HG2       LYS   3 -19.564   0.850   3.677
   25   2HG   LYS   3          HG1       LYS   3 -20.743   0.460   4.931
   26   1HD   LYS   3          HD2       LYS   3 -19.938   2.368   6.257
   27   2HD   LYS   3          HD1       LYS   3 -18.800   2.770   4.967
   28   1HE   LYS   3          HE2       LYS   3 -20.716   3.041   3.424
   29   2HE   LYS   3          HE1       LYS   3 -21.807   2.740   4.776
   30   1HZ   LYS   3          HZ1       LYS   3 -20.997   4.705   5.871
   31   2HZ   LYS   3          HZ2       LYS   3 -21.495   5.113   4.304
   32   3HZ   LYS   3          HZ3       LYS   3 -19.844   4.965   4.653
   33    H    ASP   4           HN       ASP   4 -16.298  -1.751   4.225
   34    HA   ASP   4           HA       ASP   4 -15.401  -3.068   6.682
   35   1HB   ASP   4          HB2       ASP   4 -16.203  -4.843   5.126
   36   2HB   ASP   4          HB1       ASP   4 -15.055  -4.273   3.921
   37    H    ILE   5           HN       ILE   5 -13.003  -3.303   6.707
   38    HA   ILE   5           HA       ILE   5 -11.710  -0.979   5.641
   39    HB   ILE   5           HB       ILE   5 -10.600  -3.390   7.090
   40   1HG1  ILE   5          HG12      ILE   5 -12.064  -1.930   8.437
   41   2HG1  ILE   5          HG11      ILE   5 -10.396  -1.867   8.991
   42   1HG2  ILE   5          HG21      ILE   5  -8.883  -2.458   5.661
   43   2HG2  ILE   5          HG22      ILE   5  -8.533  -2.091   7.350
   44   3HG2  ILE   5          HG23      ILE   5  -9.200  -0.845   6.296
   45   1HD1  ILE   5          HD11      ILE   5 -10.098   0.254   7.789
   46   2HD1  ILE   5          HD12      ILE   5 -11.374   0.342   9.003
   47   3HD1  ILE   5          HD13      ILE   5 -11.789   0.193   7.296
   48    H    PHE   6           HN       PHE   6 -11.186  -0.847   3.570
   49    HA   PHE   6           HA       PHE   6 -10.970  -2.989   1.774
   50   1HB   PHE   6          HB2       PHE   6 -11.364  -0.722   0.990
   51   2HB   PHE   6          HB1       PHE   6  -9.812  -0.193   1.628
   52    HD1  PHE   6           HD2      PHE   6 -11.238  -2.670  -0.764
   53    HD2  PHE   6           HD1      PHE   6  -8.015  -0.070   0.211
   54    HE1  PHE   6           HE2      PHE   6 -10.170  -3.191  -2.917
   55    HE2  PHE   6           HE1      PHE   6  -6.943  -0.585  -1.939
   56    HZ   PHE   6           HZ       PHE   6  -8.020  -2.150  -3.506
   57    H    THR   7           HN       THR   7  -9.545  -4.589   1.970
   58    HA   THR   7           HA       THR   7  -6.758  -3.882   2.629
   59    HB   THR   7           HB       THR   7  -8.102  -6.450   3.484
   60    HG1  THR   7           HG1      THR   7  -8.838  -4.228   4.398
   61   1HG2  THR   7          HG21      THR   7  -5.578  -5.060   4.402
   62   2HG2  THR   7          HG22      THR   7  -5.654  -6.493   3.378
   63   3HG2  THR   7          HG23      THR   7  -6.211  -6.573   5.049
   64    H    SER   8           HN       SER   8  -5.414  -4.418   1.049
   65    HA   SER   8           HA       SER   8  -5.669  -6.925  -0.361
   66   1HB   SER   8          HB2       SER   8  -7.166  -5.265  -1.592
   67   2HB   SER   8          HB1       SER   8  -5.699  -4.369  -1.985
   68    HG   SER   8           HG       SER   8  -6.383  -7.025  -2.735
   69    H    VAL   9           HN       VAL   9  -3.913  -6.094  -2.509
   70    HA   VAL   9           HA       VAL   9  -1.524  -5.191  -1.050
   71    HB   VAL   9           HB       VAL   9  -0.139  -6.822  -2.332
   72   1HG1  VAL   9          HG11      VAL   9  -0.668  -8.770  -0.964
   73   2HG1  VAL   9          HG12      VAL   9  -2.252  -8.087  -0.591
   74   3HG1  VAL   9          HG13      VAL   9  -0.790  -7.285  -0.018
   75   1HG2  VAL   9          HG21      VAL   9  -1.705  -7.230  -4.174
   76   2HG2  VAL   9          HG22      VAL   9  -2.792  -8.061  -3.062
   77   3HG2  VAL   9          HG23      VAL   9  -1.200  -8.736  -3.406
   78    H    VAL  10           HN       VAL  10  -0.024  -4.042  -2.272
   79    HA   VAL  10           HA       VAL  10  -0.975  -3.264  -4.948
   80    HB   VAL  10           HB       VAL  10  -1.152  -1.439  -3.270
   81   1HG1  VAL  10          HG11      VAL  10   1.854  -1.625  -3.157
   82   2HG1  VAL  10          HG12      VAL  10   0.734  -2.018  -1.853
   83   3HG1  VAL  10          HG13      VAL  10   0.870  -0.357  -2.428
   84   1HG2  VAL  10          HG21      VAL  10   0.861  -0.965  -5.467
   85   2HG2  VAL  10          HG22      VAL  10  -0.035   0.293  -4.613
   86   3HG2  VAL  10          HG23      VAL  10  -0.895  -0.877  -5.614
   87    H    ARG  11           HN       ARG  11   0.612  -2.849  -6.536
   88    HA   ARG  11           HA       ARG  11   2.881  -4.632  -6.307
   89   1HB   ARG  11          HB2       ARG  11   2.082  -2.933  -8.676
   90   2HB   ARG  11          HB1       ARG  11   3.098  -4.368  -8.682
   91   1HG   ARG  11          HG2       ARG  11   0.167  -4.330  -7.983
   92   2HG   ARG  11          HG1       ARG  11   0.838  -4.803  -9.545
   93   1HD   ARG  11          HD2       ARG  11   1.843  -6.715  -8.665
   94   2HD   ARG  11          HD1       ARG  11   1.714  -6.127  -7.009
   95    HE   ARG  11           HE       ARG  11  -0.844  -6.350  -7.577
   96   1HH1  ARG  11          HH11      ARG  11   1.750  -8.534  -8.475
   97   2HH1  ARG  11          HH12      ARG  11   0.755  -9.962  -8.359
   98   1HH2  ARG  11          HH21      ARG  11  -2.155  -8.223  -7.437
   99   2HH2  ARG  11          HH22      ARG  11  -1.462  -9.781  -7.786
  100    H    VAL  12           HN       VAL  12   4.874  -3.992  -5.797
  101    HA   VAL  12           HA       VAL  12   5.337  -1.105  -5.540
  102    HB   VAL  12           HB       VAL  12   7.006  -3.288  -4.312
  103   1HG1  VAL  12          HG11      VAL  12   6.575  -0.398  -3.586
  104   2HG1  VAL  12          HG12      VAL  12   8.012  -1.081  -4.347
  105   3HG1  VAL  12          HG13      VAL  12   7.586  -1.539  -2.699
  106   1HG2  VAL  12          HG21      VAL  12   4.734  -3.669  -3.586
  107   2HG2  VAL  12          HG22      VAL  12   4.556  -1.968  -3.161
  108   3HG2  VAL  12          HG23      VAL  12   5.675  -2.990  -2.259
  109    H    ARG  13           HN       ARG  13   6.580  -0.135  -6.976
  110    HA   ARG  13           HA       ARG  13   8.799  -1.632  -8.192
  111   1HB   ARG  13          HB2       ARG  13   6.965  -1.625  -9.828
  112   2HB   ARG  13          HB1       ARG  13   6.874   0.128  -9.720
  113   1HG   ARG  13          HG2       ARG  13   9.187   0.272 -10.554
  114   2HG   ARG  13          HG1       ARG  13   9.200  -1.479 -10.746
  115   1HD   ARG  13          HD2       ARG  13   7.350  -1.314 -12.339
  116   2HD   ARG  13          HD1       ARG  13   7.338   0.441 -12.140
  117    HE   ARG  13           HE       ARG  13   9.890  -0.065 -12.863
  118   1HH1  ARG  13          HH11      ARG  13   6.793  -0.938 -14.262
  119   2HH1  ARG  13          HH12      ARG  13   7.414  -1.033 -15.889
  120   1HH2  ARG  13          HH21      ARG  13  10.701  -0.182 -14.985
  121   2HH2  ARG  13          HH22      ARG  13   9.646  -0.615 -16.296
  122    H    GLY  14           HN       GLY  14  10.509  -0.622  -7.398
  123   1HA   GLY  14          HA2       GLY  14  11.280   1.959  -8.025
  124   2HA   GLY  14          HA1       GLY  14  10.476   2.058  -6.463
  125    H    SER  15           HN       SER  15  12.773   2.815  -5.975
  126    HA   SER  15           HA       SER  15  14.794   0.779  -5.856
  127   1HB   SER  15          HB2       SER  15  15.330   3.182  -6.220
  128   2HB   SER  15          HB1       SER  15  14.782   3.526  -4.581
  129    HG   SER  15           HG       SER  15  16.795   1.602  -5.104
  130    H    LYS  16           HN       LYS  16  14.293  -0.862  -4.533
  131    HA   LYS  16           HA       LYS  16  14.547  -0.576  -1.739
  132   1HB   LYS  16          HB2       LYS  16  12.198  -1.566  -1.243
  133   2HB   LYS  16          HB1       LYS  16  12.358   0.162  -1.478
  134   1HG   LYS  16          HG2       LYS  16  10.369  -0.789  -2.580
  135   2HG   LYS  16          HG1       LYS  16  11.466   0.003  -3.708
  136   1HD   LYS  16          HD2       LYS  16  12.317  -2.141  -4.441
  137   2HD   LYS  16          HD1       LYS  16  11.351  -2.975  -3.223
  138   1HE   LYS  16          HE2       LYS  16   9.336  -2.452  -4.315
  139   2HE   LYS  16          HE1       LYS  16  10.110  -1.249  -5.345
  140   1HZ   LYS  16          HZ1       LYS  16   9.582  -3.365  -6.481
  141   2HZ   LYS  16          HZ2       LYS  16  10.678  -4.163  -5.466
  142   3HZ   LYS  16          HZ3       LYS  16  11.229  -2.974  -6.539
  143    H    LYS  17           HN       LYS  17  13.333  -2.866  -0.824
  144    HA   LYS  17           HA       LYS  17  14.196  -4.981  -2.672
  145   1HB   LYS  17          HB2       LYS  17  14.669  -4.892   0.314
  146   2HB   LYS  17          HB1       LYS  17  14.965  -6.295  -0.704
  147   1HG   LYS  17          HG2       LYS  17  16.585  -4.925  -2.006
  148   2HG   LYS  17          HG1       LYS  17  16.367  -3.635  -0.821
  149   1HD   LYS  17          HD2       LYS  17  17.154  -5.106   0.949
  150   2HD   LYS  17          HD1       LYS  17  17.318  -6.432  -0.205
  151   1HE   LYS  17          HE2       LYS  17  18.948  -5.027  -1.469
  152   2HE   LYS  17          HE1       LYS  17  18.869  -3.851  -0.156
  153   1HZ   LYS  17          HZ1       LYS  17  19.719  -6.684   0.118
  154   2HZ   LYS  17          HZ2       LYS  17  19.667  -5.539   1.371
  155   3HZ   LYS  17          HZ3       LYS  17  20.756  -5.342   0.086
  156    H    TYR  18           HN       TYR  18  11.878  -4.833  -3.178
  157    HA   TYR  18           HA       TYR  18  10.396  -6.867  -1.817
  158   1HB   TYR  18          HB2       TYR  18   9.639  -3.998  -1.440
  159   2HB   TYR  18          HB1       TYR  18   8.353  -5.182  -1.639
  160    HD1  TYR  18           HD1      TYR  18   8.687  -7.352  -0.112
  161    HD2  TYR  18           HD2      TYR  18  10.285  -3.499   0.717
  162    HE1  TYR  18           HE1      TYR  18   8.833  -7.934   2.270
  163    HE2  TYR  18           HE2      TYR  18  10.437  -4.070   3.104
  164    HH   TYR  18           HH       TYR  18  10.137  -7.225   4.274
  165    H    ASN  19           HN       ASN  19   8.074  -6.972  -2.872
  166    HA   ASN  19           HA       ASN  19   8.196  -6.011  -5.641
  167   1HB   ASN  19          HB2       ASN  19   8.904  -8.481  -5.339
  168   2HB   ASN  19          HB1       ASN  19   7.197  -8.773  -5.031
  169   1HD2  ASN  19          HD21      ASN  19   5.715  -8.532  -6.726
  170   2HD2  ASN  19          HD22      ASN  19   6.221  -8.435  -8.378
  171    H    VAL  20           HN       VAL  20   6.190  -7.625  -3.245
  172    HA   VAL  20           HA       VAL  20   3.987  -5.828  -3.991
  173    HB   VAL  20           HB       VAL  20   2.368  -7.684  -3.489
  174   1HG1  VAL  20          HG11      VAL  20   2.808  -7.033  -5.773
  175   2HG1  VAL  20          HG12      VAL  20   2.630  -8.786  -5.682
  176   3HG1  VAL  20          HG13      VAL  20   4.235  -8.068  -5.827
  177   1HG2  VAL  20          HG21      VAL  20   3.153  -9.994  -3.625
  178   2HG2  VAL  20          HG22      VAL  20   3.881  -9.158  -2.253
  179   3HG2  VAL  20          HG23      VAL  20   4.819  -9.429  -3.721
  180    H    VAL  21           HN       VAL  21   2.962  -4.886  -2.313
  181    HA   VAL  21           HA       VAL  21   3.658  -5.832   0.387
  182    HB   VAL  21           HB       VAL  21   4.950  -3.772  -0.441
  183   1HG1  VAL  21          HG11      VAL  21   3.833  -1.617  -0.205
  184   2HG1  VAL  21          HG12      VAL  21   2.297  -2.444   0.056
  185   3HG1  VAL  21          HG13      VAL  21   3.127  -2.587  -1.494
  186   1HG2  VAL  21          HG21      VAL  21   4.853  -2.676   1.739
  187   2HG2  VAL  21          HG22      VAL  21   4.911  -4.432   1.885
  188   3HG2  VAL  21          HG23      VAL  21   3.386  -3.578   2.122
  189    HA   PRO  22           HA       PRO  22  -0.733  -5.672   1.005
  190   1HB   PRO  22          HB2       PRO  22  -0.806  -5.630   3.720
  191   2HB   PRO  22          HB1       PRO  22  -0.443  -7.085   2.787
  192   1HG   PRO  22          HG2       PRO  22   1.419  -5.208   4.179
  193   2HG   PRO  22          HG1       PRO  22   1.467  -6.977   4.093
  194   1HD   PRO  22          HD2       PRO  22   3.036  -5.373   2.561
  195   2HD   PRO  22          HD1       PRO  22   2.480  -6.974   2.029
  196    H    VAL  23           HN       VAL  23  -2.243  -4.147   1.160
  197    HA   VAL  23           HA       VAL  23  -1.583  -1.585   2.415
  198    HB   VAL  23           HB       VAL  23  -1.044  -1.469  -0.014
  199   1HG1  VAL  23          HG11      VAL  23  -2.703  -3.034  -0.854
  200   2HG1  VAL  23          HG12      VAL  23  -2.851  -1.470  -1.657
  201   3HG1  VAL  23          HG13      VAL  23  -3.998  -1.928  -0.398
  202   1HG2  VAL  23          HG21      VAL  23  -2.260   0.598  -0.471
  203   2HG2  VAL  23          HG22      VAL  23  -1.665   0.543   1.188
  204   3HG2  VAL  23          HG23      VAL  23  -3.370   0.237   0.850
  205    H    LYS  24           HN       LYS  24  -3.431  -0.387   3.091
  206    HA   LYS  24           HA       LYS  24  -6.000  -1.730   2.907
  207   1HB   LYS  24          HB2       LYS  24  -6.214  -1.580   5.458
  208   2HB   LYS  24          HB1       LYS  24  -5.242  -2.884   4.795
  209   1HG   LYS  24          HG2       LYS  24  -3.886  -2.177   6.482
  210   2HG   LYS  24          HG1       LYS  24  -3.277  -1.184   5.160
  211   1HD   LYS  24          HD2       LYS  24  -3.512   0.251   7.035
  212   2HD   LYS  24          HD1       LYS  24  -4.851   0.624   5.945
  213   1HE   LYS  24          HE2       LYS  24  -6.388  -0.591   7.296
  214   2HE   LYS  24          HE1       LYS  24  -5.088  -1.274   8.272
  215   1HZ   LYS  24          HZ1       LYS  24  -4.572   1.030   8.993
  216   2HZ   LYS  24          HZ2       LYS  24  -6.085   0.471   9.506
  217   3HZ   LYS  24          HZ3       LYS  24  -5.979   1.555   8.209
  218    H    SER  25           HN       SER  25  -7.589  -0.425   4.466
  219    HA   SER  25           HA       SER  25  -7.225   2.384   3.682
  220   1HB   SER  25          HB2       SER  25  -9.666   2.553   3.697
  221   2HB   SER  25          HB1       SER  25  -9.153   1.247   2.635
  222    HG   SER  25           HG       SER  25 -10.614   1.175   4.961
  223    H    ASN  26           HN       ASN  26  -7.038   3.850   5.188
  224    HA   ASN  26           HA       ASN  26  -6.846   3.370   7.918
  225   1HB   ASN  26          HB2       ASN  26  -5.885   5.365   7.202
  226   2HB   ASN  26          HB1       ASN  26  -7.273   5.799   6.216
  227   1HD2  ASN  26          HD21      ASN  26  -7.594   7.782   6.968
  228   2HD2  ASN  26          HD22      ASN  26  -8.118   8.141   8.584
  229    H    LYS  27           HN       LYS  27  -9.606   4.232   5.949
  230    HA   LYS  27           HA       LYS  27 -11.311   4.223   8.345
  231   1HB   LYS  27          HB2       LYS  27 -10.894   6.454   7.250
  232   2HB   LYS  27          HB1       LYS  27 -11.688   5.833   5.819
  233   1HG   LYS  27          HG2       LYS  27 -13.776   5.668   6.969
  234   2HG   LYS  27          HG1       LYS  27 -13.004   6.069   8.507
  235   1HD   LYS  27          HD2       LYS  27 -13.173   7.870   6.089
  236   2HD   LYS  27          HD1       LYS  27 -14.139   8.021   7.559
  237   1HE   LYS  27          HE2       LYS  27 -12.231   8.555   8.865
  238   2HE   LYS  27          HE1       LYS  27 -11.129   8.093   7.569
  239   1HZ   LYS  27          HZ1       LYS  27 -13.025  10.376   7.416
  240   2HZ   LYS  27          HZ2       LYS  27 -11.809   9.979   6.297
  241   3HZ   LYS  27          HZ3       LYS  27 -11.391  10.518   7.849
  242    HA   PRO  28           HA       PRO  28 -13.429   0.814   6.444
  243   1HB   PRO  28          HB2       PRO  28 -15.962   1.330   7.449
  244   2HB   PRO  28          HB1       PRO  28 -14.692   0.450   8.305
  245   1HG   PRO  28          HG2       PRO  28 -15.527   3.306   8.558
  246   2HG   PRO  28          HG1       PRO  28 -15.012   2.169   9.817
  247   1HD   PRO  28          HD2       PRO  28 -13.370   4.084   8.880
  248   2HD   PRO  28          HD1       PRO  28 -12.763   2.483   9.358
  249    H    VAL  29           HN       VAL  29 -14.140   0.625   4.441
  250    HA   VAL  29           HA       VAL  29 -15.677   2.857   3.286
  251    HB   VAL  29           HB       VAL  29 -13.340   2.910   2.537
  252   1HG1  VAL  29          HG11      VAL  29 -12.780   0.572   2.774
  253   2HG1  VAL  29          HG12      VAL  29 -12.433   1.117   1.133
  254   3HG1  VAL  29          HG13      VAL  29 -13.873   0.149   1.455
  255   1HG2  VAL  29          HG21      VAL  29 -15.051   3.697   0.999
  256   2HG2  VAL  29          HG22      VAL  29 -15.238   2.069   0.350
  257   3HG2  VAL  29          HG23      VAL  29 -13.721   2.941   0.121
  258    H    GLU  30           HN       GLU  30 -17.034   2.289   1.478
  259    HA   GLU  30           HA       GLU  30 -18.573  -0.039   1.913
  260   1HB   GLU  30          HB2       GLU  30 -18.547   1.716  -0.542
  261   2HB   GLU  30          HB1       GLU  30 -19.859   0.685   0.007
  262   1HG   GLU  30          HG2       GLU  30 -20.283   2.089   1.881
  263   2HG   GLU  30          HG1       GLU  30 -18.821   3.030   1.575
  264    H    ILE  31           HN       ILE  31 -18.297  -2.054   1.153
  265    HA   ILE  31           HA       ILE  31 -16.155  -2.673  -0.637
  266    HB   ILE  31           HB       ILE  31 -16.985  -5.002  -0.526
  267   1HG1  ILE  31          HG12      ILE  31 -19.119  -3.836   1.280
  268   2HG1  ILE  31          HG11      ILE  31 -19.391  -4.504  -0.325
  269   1HG2  ILE  31          HG21      ILE  31 -16.707  -3.589   2.123
  270   2HG2  ILE  31          HG22      ILE  31 -15.395  -4.191   1.110
  271   3HG2  ILE  31          HG23      ILE  31 -16.516  -5.324   1.865
  272   1HD1  ILE  31          HD11      ILE  31 -20.025  -6.084   1.396
  273   2HD1  ILE  31          HD12      ILE  31 -18.399  -6.020   2.077
  274   3HD1  ILE  31          HD13      ILE  31 -18.657  -6.695   0.468
  275    H    SER  32           HN       SER  32 -19.246  -1.548  -1.137
  276    HA   SER  32           HA       SER  32 -20.054  -2.818  -3.491
  277   1HB   SER  32          HB2       SER  32 -21.520  -1.317  -2.247
  278   2HB   SER  32          HB1       SER  32 -20.455   0.047  -2.580
  279    HG   SER  32           HG       SER  32 -21.456  -1.387  -4.767
  280    H    LYS  33           HN       LYS  33 -17.653  -0.355  -2.878
  281    HA   LYS  33           HA       LYS  33 -17.147  -0.116  -5.766
  282   1HB   LYS  33          HB2       LYS  33 -16.476   1.714  -3.459
  283   2HB   LYS  33          HB1       LYS  33 -15.796   1.921  -5.067
  284   1HG   LYS  33          HG2       LYS  33 -18.070   2.169  -5.979
  285   2HG   LYS  33          HG1       LYS  33 -18.724   2.016  -4.347
  286   1HD   LYS  33          HD2       LYS  33 -16.694   4.118  -5.051
  287   2HD   LYS  33          HD1       LYS  33 -18.421   4.376  -5.300
  288   1HE   LYS  33          HE2       LYS  33 -17.271   3.537  -2.649
  289   2HE   LYS  33          HE1       LYS  33 -17.427   5.229  -3.121
  290   1HZ   LYS  33          HZ1       LYS  33 -19.322   4.442  -1.794
  291   2HZ   LYS  33          HZ2       LYS  33 -19.685   3.294  -2.987
  292   3HZ   LYS  33          HZ3       LYS  33 -19.799   4.946  -3.342
  293    H    TRP  34           HN       TRP  34 -16.257  -2.166  -3.640
  294    HA   TRP  34           HA       TRP  34 -13.522  -1.952  -3.119
  295   1HB   TRP  34          HB2       TRP  34 -15.181  -3.607  -2.150
  296   2HB   TRP  34          HB1       TRP  34 -15.015  -4.528  -3.638
  297    HD1  TRP  34           HD1      TRP  34 -13.236  -3.749  -0.379
  298    HE1  TRP  34           HE1      TRP  34 -11.216  -5.321  -0.121
  299    HE3  TRP  34           HE3      TRP  34 -13.234  -5.840  -5.049
  300    HZ2  TRP  34           HZ2      TRP  34  -9.808  -7.195  -1.693
  301    HZ3  TRP  34           HZ3      TRP  34 -11.518  -7.514  -5.587
  302    HH2  TRP  34           HH2      TRP  34  -9.840  -8.177  -3.943
  303    H    ILE  35           HN       ILE  35 -15.242  -3.125  -5.934
  304    HA   ILE  35           HA       ILE  35 -13.086  -4.377  -7.257
  305    HB   ILE  35           HB       ILE  35 -15.535  -3.107  -8.500
  306   1HG1  ILE  35          HG12      ILE  35 -15.107  -5.955  -7.564
  307   2HG1  ILE  35          HG11      ILE  35 -16.088  -4.753  -6.729
  308   1HG2  ILE  35          HG21      ILE  35 -15.155  -4.701 -10.326
  309   2HG2  ILE  35          HG22      ILE  35 -13.685  -5.257  -9.527
  310   3HG2  ILE  35          HG23      ILE  35 -13.790  -3.602 -10.125
  311   1HD1  ILE  35          HD11      ILE  35 -17.473  -6.280  -8.001
  312   2HD1  ILE  35          HD12      ILE  35 -16.608  -5.861  -9.480
  313   3HD1  ILE  35          HD13      ILE  35 -17.586  -4.648  -8.657
  314    H    ASP  36           HN       ASP  36 -14.310  -1.066  -7.293
  315    HA   ASP  36           HA       ASP  36 -12.684  -0.228  -9.483
  316   1HB   ASP  36          HB2       ASP  36 -14.827   0.873  -8.798
  317   2HB   ASP  36          HB1       ASP  36 -13.999   1.500  -7.379
  318    H    PHE  37           HN       PHE  37 -12.458   0.032  -5.967
  319    HA   PHE  37           HA       PHE  37 -10.118   1.542  -5.770
  320   1HB   PHE  37          HB2       PHE  37 -11.396  -0.513  -3.997
  321   2HB   PHE  37          HB1       PHE  37  -9.819   0.142  -3.583
  322    HD1  PHE  37           HD1      PHE  37 -13.260   1.264  -4.482
  323    HD2  PHE  37           HD2      PHE  37  -9.695   2.027  -2.290
  324    HE1  PHE  37           HE1      PHE  37 -14.350   3.175  -3.382
  325    HE2  PHE  37           HE2      PHE  37 -10.776   3.940  -1.188
  326    HZ   PHE  37           HZ       PHE  37 -13.107   4.509  -1.731
  327    H    SER  38           HN       SER  38 -10.520  -1.980  -6.033
  328    HA   SER  38           HA       SER  38  -7.757  -2.558  -5.747
  329   1HB   SER  38          HB2       SER  38  -8.531  -4.817  -6.770
  330   2HB   SER  38          HB1       SER  38  -9.159  -4.339  -5.191
  331    HG   SER  38           HG       SER  38 -11.091  -3.959  -6.046
  332    H    ASN  39           HN       ASN  39  -9.782  -1.783  -8.487
  333    HA   ASN  39           HA       ASN  39  -7.880  -2.557 -10.468
  334   1HB   ASN  39          HB2       ASN  39 -10.430  -1.034 -10.475
  335   2HB   ASN  39          HB1       ASN  39  -9.326  -0.761 -11.821
  336   1HD2  ASN  39          HD21      ASN  39 -11.391  -3.051 -10.224
  337   2HD2  ASN  39          HD22      ASN  39 -11.371  -4.237 -11.487
  338    H    VAL  40           HN       VAL  40  -8.321   0.261  -8.493
  339    HA   VAL  40           HA       VAL  40  -6.573   1.959  -9.982
  340    HB   VAL  40           HB       VAL  40  -7.248   2.070  -7.034
  341   1HG1  VAL  40          HG11      VAL  40  -5.233   3.326  -7.560
  342   2HG1  VAL  40          HG12      VAL  40  -6.564   4.425  -7.201
  343   3HG1  VAL  40          HG13      VAL  40  -6.073   4.152  -8.873
  344   1HG2  VAL  40          HG21      VAL  40  -9.246   2.227  -8.418
  345   2HG2  VAL  40          HG22      VAL  40  -8.496   3.507  -9.374
  346   3HG2  VAL  40          HG23      VAL  40  -8.877   3.785  -7.674
  347    H    LEU  41           HN       LEU  41  -6.154  -0.241  -7.234
  348    HA   LEU  41           HA       LEU  41  -3.482   0.347  -6.662
  349   1HB   LEU  41          HB2       LEU  41  -4.970  -2.257  -6.346
  350   2HB   LEU  41          HB1       LEU  41  -3.394  -1.927  -5.655
  351    HG   LEU  41           HG       LEU  41  -5.972  -0.519  -4.959
  352   1HD1  LEU  41          HD11      LEU  41  -5.668  -1.600  -2.788
  353   2HD1  LEU  41          HD12      LEU  41  -4.238  -2.430  -3.403
  354   3HD1  LEU  41          HD13      LEU  41  -5.825  -2.785  -4.085
  355   1HD2  LEU  41          HD21      LEU  41  -4.067   1.009  -4.839
  356   2HD2  LEU  41          HD22      LEU  41  -3.193  -0.151  -3.838
  357   3HD2  LEU  41          HD23      LEU  41  -4.664   0.608  -3.229
  358    H    SER  42           HN       SER  42  -4.881  -1.997  -8.918
  359    HA   SER  42           HA       SER  42  -2.332  -3.088  -9.657
  360   1HB   SER  42          HB2       SER  42  -3.801  -4.184 -11.487
  361   2HB   SER  42          HB1       SER  42  -4.100  -4.624  -9.806
  362    HG   SER  42           HG       SER  42  -5.992  -3.675  -9.879
  363    H    ARG  43           HN       ARG  43  -3.598  -0.182 -10.260
  364    HA   ARG  43           HA       ARG  43  -2.537  -0.020 -13.000
  365   1HB   ARG  43          HB2       ARG  43  -4.921   0.599 -12.665
  366   2HB   ARG  43          HB1       ARG  43  -4.409   1.865 -11.561
  367   1HG   ARG  43          HG2       ARG  43  -3.223   2.975 -13.385
  368   2HG   ARG  43          HG1       ARG  43  -3.737   1.697 -14.489
  369   1HD   ARG  43          HD2       ARG  43  -5.168   3.656 -14.697
  370   2HD   ARG  43          HD1       ARG  43  -6.071   2.274 -14.075
  371    HE   ARG  43           HE       ARG  43  -5.000   4.283 -12.211
  372   1HH1  ARG  43          HH11      ARG  43  -7.759   2.656 -13.655
  373   2HH1  ARG  43          HH12      ARG  43  -8.889   3.304 -12.501
  374   1HH2  ARG  43          HH21      ARG  43  -6.499   5.156 -10.742
  375   2HH2  ARG  43          HH22      ARG  43  -8.189   4.770 -10.894
  376    H    LEU  44           HN       LEU  44  -1.965   0.809  -9.775
  377    HA   LEU  44           HA       LEU  44  -0.685   3.321 -10.173
  378   1HB   LEU  44          HB2       LEU  44  -0.608   1.429  -7.834
  379   2HB   LEU  44          HB1       LEU  44   0.079   3.041  -7.828
  380    HG   LEU  44           HG       LEU  44  -2.848   2.377  -8.157
  381   1HD1  LEU  44          HD11      LEU  44  -2.002   1.991  -5.891
  382   2HD1  LEU  44          HD12      LEU  44  -3.103   3.366  -5.955
  383   3HD1  LEU  44          HD13      LEU  44  -1.364   3.636  -5.856
  384   1HD2  LEU  44          HD21      LEU  44  -2.232   4.382  -9.402
  385   2HD2  LEU  44          HD22      LEU  44  -1.451   5.045  -7.968
  386   3HD2  LEU  44          HD23      LEU  44  -3.197   4.794  -7.984
  387    H    TYR  45           HN       TYR  45   0.704   0.343  -8.914
  388    HA   TYR  45           HA       TYR  45   2.815  -0.469  -8.878
  389   1HB   TYR  45          HB2       TYR  45   2.672   0.648 -11.664
  390   2HB   TYR  45          HB1       TYR  45   4.166  -0.066 -11.063
  391    HD1  TYR  45           HD1      TYR  45   0.555  -0.802 -11.632
  392    HD2  TYR  45           HD2      TYR  45   4.466  -2.383 -11.078
  393    HE1  TYR  45           HE1      TYR  45  -0.276  -3.047 -12.198
  394    HE2  TYR  45           HE2      TYR  45   3.647  -4.628 -11.641
  395    HH   TYR  45           HH       TYR  45   0.494  -5.170 -12.954
  396    H    VAL  46           HN       VAL  46   3.322   0.900  -7.152
  397    HA   VAL  46           HA       VAL  46   5.145   3.107  -7.844
  398    HB   VAL  46           HB       VAL  46   3.052   4.055  -7.014
  399   1HG1  VAL  46          HG11      VAL  46   3.497   2.353  -4.570
  400   2HG1  VAL  46          HG12      VAL  46   2.208   2.169  -5.758
  401   3HG1  VAL  46          HG13      VAL  46   2.263   3.603  -4.731
  402   1HG2  VAL  46          HG21      VAL  46   5.089   5.220  -6.419
  403   2HG2  VAL  46          HG22      VAL  46   5.263   4.227  -4.975
  404   3HG2  VAL  46          HG23      VAL  46   3.912   5.353  -5.112
  405    H    GLY  47           HN       GLY  47   7.009   3.284  -6.547
  406   1HA   GLY  47          HA2       GLY  47   7.359   1.162  -4.531
  407   2HA   GLY  47          HA1       GLY  47   8.492   1.271  -5.866
  408    H    VAL  48           HN       VAL  48   7.342   2.761  -2.956
  409    HA   VAL  48           HA       VAL  48   9.863   4.280  -2.809
  410    HB   VAL  48           HB       VAL  48   7.177   5.240  -1.793
  411   1HG1  VAL  48          HG11      VAL  48   8.361   7.322  -1.270
  412   2HG1  VAL  48          HG12      VAL  48   9.880   6.581  -1.774
  413   3HG1  VAL  48          HG13      VAL  48   9.016   5.957  -0.367
  414   1HG2  VAL  48          HG21      VAL  48   8.847   6.221  -4.103
  415   2HG2  VAL  48          HG22      VAL  48   7.389   7.003  -3.492
  416   3HG2  VAL  48          HG23      VAL  48   7.293   5.394  -4.211
  417    HA   PRO  49           HA       PRO  49  10.280   1.788   0.926
  418   1HB   PRO  49          HB2       PRO  49  12.423   3.278   1.875
  419   2HB   PRO  49          HB1       PRO  49  12.553   1.885   0.798
  420   1HG   PRO  49          HG2       PRO  49  12.597   4.800   0.148
  421   2HG   PRO  49          HG1       PRO  49  13.547   3.477  -0.553
  422   1HD   PRO  49          HD2       PRO  49  11.455   4.531  -1.847
  423   2HD   PRO  49          HD1       PRO  49  11.814   2.794  -1.935
  424    H    THR  50           HN       THR  50   8.748   2.168   2.400
  425    HA   THR  50           HA       THR  50   8.739   4.738   3.806
  426    HB   THR  50           HB       THR  50   6.137   4.418   3.745
  427    HG1  THR  50           HG1      THR  50   6.855   3.221   1.265
  428   1HG2  THR  50          HG21      THR  50   7.661   5.412   1.332
  429   2HG2  THR  50          HG22      THR  50   7.344   6.340   2.798
  430   3HG2  THR  50          HG23      THR  50   6.006   5.844   1.761
  431    H    LYS  51           HN       LYS  51   7.165   4.607   5.732
  432    HA   LYS  51           HA       LYS  51   7.718   2.099   7.147
  433   1HB   LYS  51          HB2       LYS  51   6.869   4.786   8.252
  434   2HB   LYS  51          HB1       LYS  51   7.324   3.378   9.199
  435   1HG   LYS  51          HG2       LYS  51   9.595   3.503   8.230
  436   2HG   LYS  51          HG1       LYS  51   9.116   4.978   7.383
  437   1HD   LYS  51          HD2       LYS  51   8.597   6.022   9.558
  438   2HD   LYS  51          HD1       LYS  51   9.155   4.561  10.373
  439   1HE   LYS  51          HE2       LYS  51  10.919   6.184  10.425
  440   2HE   LYS  51          HE1       LYS  51  11.381   4.894   9.317
  441   1HZ   LYS  51          HZ1       LYS  51  11.838   7.197   8.522
  442   2HZ   LYS  51          HZ2       LYS  51  10.162   7.453   8.428
  443   3HZ   LYS  51          HZ3       LYS  51  10.898   6.270   7.461
  444    H    SER  52           HN       SER  52   5.917   1.784   8.987
  445    HA   SER  52           HA       SER  52   3.554   1.043   7.597
  446   1HB   SER  52          HB2       SER  52   2.791   0.643  10.091
  447   2HB   SER  52          HB1       SER  52   4.017  -0.391   9.358
  448    HG   SER  52           HG       SER  52   4.251   1.522  11.361
  449    H    GLY  53           HN       GLY  53   1.700   2.114   7.302
  450   1HA   GLY  53          HA2       GLY  53  -0.028   3.618   7.891
  451   2HA   GLY  53          HA1       GLY  53   1.071   4.400   9.022
  452    H    ASN  54           HN       ASN  54   2.029   3.598   5.784
  453    HA   ASN  54           HA       ASN  54   2.438   6.434   5.245
  454   1HB   ASN  54          HB2       ASN  54   3.703   5.726   3.283
  455   2HB   ASN  54          HB1       ASN  54   4.270   4.868   4.708
  456   1HD2  ASN  54          HD21      ASN  54   4.050   2.667   4.819
  457   2HD2  ASN  54          HD22      ASN  54   3.532   1.707   3.475
  458    H    VAL  55           HN       VAL  55   1.253   7.626   3.890
  459    HA   VAL  55           HA       VAL  55  -1.179   6.415   2.856
  460    HB   VAL  55           HB       VAL  55  -0.357   9.323   2.771
  461   1HG1  VAL  55          HG11      VAL  55  -2.783   9.709   2.523
  462   2HG1  VAL  55          HG12      VAL  55  -3.022   7.966   2.421
  463   3HG1  VAL  55          HG13      VAL  55  -2.090   8.800   1.180
  464   1HG2  VAL  55          HG21      VAL  55  -0.428   8.559   5.081
  465   2HG2  VAL  55          HG22      VAL  55  -2.044   7.899   4.824
  466   3HG2  VAL  55          HG23      VAL  55  -1.777   9.640   4.732
  467    H    VAL  56           HN       VAL  56  -1.028   5.496   0.911
  468    HA   VAL  56           HA       VAL  56   0.788   6.442  -1.119
  469    HB   VAL  56           HB       VAL  56  -1.469   4.443  -1.390
  470   1HG1  VAL  56          HG11      VAL  56  -0.670   5.327  -3.520
  471   2HG1  VAL  56          HG12      VAL  56  -0.217   3.633  -3.329
  472   3HG1  VAL  56          HG13      VAL  56   0.984   4.901  -3.088
  473   1HG2  VAL  56          HG21      VAL  56   0.252   2.715  -1.079
  474   2HG2  VAL  56          HG22      VAL  56   0.073   3.730   0.353
  475   3HG2  VAL  56          HG23      VAL  56   1.441   3.971  -0.734
  476    H    CYS  57           HN       CYS  57  -2.747   6.001  -1.112
  477    HA   CYS  57           HA       CYS  57  -2.968   8.223  -3.010
  478   1HB   CYS  57          HB2       CYS  57  -5.013   6.138  -2.213
  479   2HB   CYS  57          HB1       CYS  57  -5.236   7.374  -3.446
  480    HG   CYS  57           HG       CYS  57  -3.769   6.279  -5.348
  481    H    LYS  58           HN       LYS  58  -3.437  10.149  -2.207
  482    HA   LYS  58           HA       LYS  58  -4.521  10.435   0.465
  483   1HB   LYS  58          HB2       LYS  58  -4.269  12.821  -1.284
  484   2HB   LYS  58          HB1       LYS  58  -3.788  12.603   0.390
  485   1HG   LYS  58          HG2       LYS  58  -2.277  11.436  -1.930
  486   2HG   LYS  58          HG1       LYS  58  -1.927  13.015  -1.233
  487   1HD   LYS  58          HD2       LYS  58  -1.535  11.913   0.952
  488   2HD   LYS  58          HD1       LYS  58  -1.791  10.349   0.174
  489   1HE   LYS  58          HE2       LYS  58   0.091  10.755  -1.309
  490   2HE   LYS  58          HE1       LYS  58   0.330  12.349  -0.598
  491   1HZ   LYS  58          HZ1       LYS  58   0.746  11.215   1.548
  492   2HZ   LYS  58          HZ2       LYS  58   1.892  10.849   0.348
  493   3HZ   LYS  58          HZ3       LYS  58   0.687   9.725   0.734
  494    H    ASN  59           HN       ASN  59  -6.682  10.023   0.604
  495    HA   ASN  59           HA       ASN  59  -8.924  10.029   0.155
  496   1HB   ASN  59          HB2       ASN  59  -8.581  12.447   0.673
  497   2HB   ASN  59          HB1       ASN  59  -8.329  12.753  -1.042
  498   1HD2  ASN  59          HD21      ASN  59 -10.096  14.185  -1.063
  499   2HD2  ASN  59          HD22      ASN  59 -11.728  13.597  -1.026
  500    H    ILE  60           HN       ILE  60  -8.225   8.329  -1.357
  501    HA   ILE  60           HA       ILE  60  -7.747   8.798  -4.077
  502    HB   ILE  60           HB       ILE  60  -7.031   6.740  -3.065
  503   1HG1  ILE  60          HG12      ILE  60  -9.206   6.120  -5.079
  504   2HG1  ILE  60          HG11      ILE  60  -7.589   6.688  -5.483
  505   1HG2  ILE  60          HG21      ILE  60  -8.609   5.003  -2.344
  506   2HG2  ILE  60          HG22      ILE  60  -9.945   6.119  -2.627
  507   3HG2  ILE  60          HG23      ILE  60  -8.744   6.477  -1.385
  508   1HD1  ILE  60          HD11      ILE  60  -8.253   4.096  -4.100
  509   2HD1  ILE  60          HD12      ILE  60  -6.634   4.663  -4.509
  510   3HD1  ILE  60          HD13      ILE  60  -7.786   4.287  -5.789
  511    H    MET  61           HN       MET  61  -9.110   9.761  -5.397
  512    HA   MET  61           HA       MET  61 -10.906  10.122  -6.728
  513   1HB   MET  61          HB2       MET  61 -11.803   7.420  -5.705
  514   2HB   MET  61          HB1       MET  61 -12.555   8.291  -7.036
  515   1HG   MET  61          HG2       MET  61 -10.465   8.177  -8.296
  516   2HG   MET  61          HG1       MET  61  -9.709   7.310  -6.961
  517   1HE   MET  61          HE1       MET  61 -10.406   4.859  -6.202
  518   2HE   MET  61          HE2       MET  61 -11.726   3.949  -6.937
  519   3HE   MET  61          HE3       MET  61 -12.072   5.406  -6.005
  520    H    ASN  62           HN       ASN  62 -10.881  10.916  -3.875
  521    HA   ASN  62           HA       ASN  62 -12.183  12.073  -2.431
  522   1HB   ASN  62          HB2       ASN  62 -14.176  12.045  -4.709
  523   2HB   ASN  62          HB1       ASN  62 -14.326  13.022  -3.253
  524   1HD2  ASN  62          HD21      ASN  62 -12.926  14.756  -2.940
  525   2HD2  ASN  62          HD22      ASN  62 -12.022  15.445  -4.246
  526    H    THR  63           HN       THR  63 -12.259  10.296  -1.043
  527    HA   THR  63           HA       THR  63 -14.901   9.017  -0.863
  528    HB   THR  63           HB       THR  63 -13.748   6.929  -0.109
  529    HG1  THR  63           HG1      THR  63 -11.384   7.619  -1.346
  530   1HG2  THR  63          HG21      THR  63 -13.061   6.212  -2.352
  531   2HG2  THR  63          HG22      THR  63 -13.032   7.892  -2.878
  532   3HG2  THR  63          HG23      THR  63 -14.559   7.141  -2.409
  533    H    GLY  64           HN       GLY  64 -12.269  10.581   0.724
  534   1HA   GLY  64          HA2       GLY  64 -12.211  11.354   2.926
  535   2HA   GLY  64          HA1       GLY  64 -13.596  10.334   3.300
  536    H    VAL  65           HN       VAL  65 -11.355   8.593   1.579
  537    HA   VAL  65           HA       VAL  65 -10.140   7.495   4.036
  538    HB   VAL  65           HB       VAL  65 -10.694   6.044   1.430
  539   1HG1  VAL  65          HG11      VAL  65  -9.962   4.047   2.574
  540   2HG1  VAL  65          HG12      VAL  65  -9.664   4.970   4.046
  541   3HG1  VAL  65          HG13      VAL  65  -8.685   5.264   2.610
  542   1HG2  VAL  65          HG21      VAL  65 -12.232   4.674   2.904
  543   2HG2  VAL  65          HG22      VAL  65 -12.787   6.289   2.463
  544   3HG2  VAL  65          HG23      VAL  65 -12.120   5.994   4.065
  545    H    ASP  66           HN       ASP  66  -8.019   7.696   4.168
  546    HA   ASP  66           HA       ASP  66  -6.438   8.114   1.752
  547   1HB   ASP  66          HB2       ASP  66  -4.553   8.405   3.440
  548   2HB   ASP  66          HB1       ASP  66  -5.828   9.615   3.499
  549    H    ILE  67           HN       ILE  67  -5.330   6.530   0.837
  550    HA   ILE  67           HA       ILE  67  -5.663   3.854   1.904
  551    HB   ILE  67           HB       ILE  67  -4.399   4.807  -0.674
  552   1HG1  ILE  67          HG12      ILE  67  -6.803   5.224  -0.569
  553   2HG1  ILE  67          HG11      ILE  67  -6.456   3.933  -1.714
  554   1HG2  ILE  67          HG21      ILE  67  -5.045   2.009   0.233
  555   2HG2  ILE  67          HG22      ILE  67  -3.437   2.685  -0.027
  556   3HG2  ILE  67          HG23      ILE  67  -4.532   2.460  -1.392
  557   1HD1  ILE  67          HD11      ILE  67  -7.126   2.277  -0.056
  558   2HD1  ILE  67          HD12      ILE  67  -8.420   3.432  -0.374
  559   3HD1  ILE  67          HD13      ILE  67  -7.461   3.568   1.099
  560    H    ILE  68           HN       ILE  68  -4.255   3.066   3.318
  561    HA   ILE  68           HA       ILE  68  -1.501   4.086   3.211
  562    HB   ILE  68           HB       ILE  68  -1.403   3.736   5.671
  563   1HG1  ILE  68          HG12      ILE  68  -4.399   3.407   5.423
  564   2HG1  ILE  68          HG11      ILE  68  -3.269   2.130   5.858
  565   1HG2  ILE  68          HG21      ILE  68  -2.701   5.752   6.242
  566   2HG2  ILE  68          HG22      ILE  68  -3.479   5.670   4.662
  567   3HG2  ILE  68          HG23      ILE  68  -1.742   5.952   4.775
  568   1HD1  ILE  68          HD11      ILE  68  -2.654   3.362   7.869
  569   2HD1  ILE  68          HD12      ILE  68  -4.382   3.012   7.818
  570   3HD1  ILE  68          HD13      ILE  68  -3.799   4.632   7.435
  571    H    CYS  69           HN       CYS  69   0.142   2.703   3.275
  572    HA   CYS  69           HA       CYS  69  -0.438  -0.153   3.431
  573   1HB   CYS  69          HB2       CYS  69   1.041   0.570   1.631
  574   2HB   CYS  69          HB1       CYS  69   2.120   1.338   2.792
  575    HG   CYS  69           HG       CYS  69   1.552  -2.024   2.491
  576    H    THR  70           HN       THR  70   0.552  -1.510   5.005
  577    HA   THR  70           HA       THR  70   1.285   0.011   7.421
  578    HB   THR  70           HB       THR  70  -0.942  -1.070   7.550
  579    HG1  THR  70           HG1      THR  70  -0.634  -1.757   9.595
  580   1HG2  THR  70          HG21      THR  70  -1.104  -3.517   7.705
  581   2HG2  THR  70          HG22      THR  70   0.606  -3.653   7.293
  582   3HG2  THR  70          HG23      THR  70  -0.536  -3.000   6.116
  583    H    LYS  71           HN       LYS  71   2.551  -2.003   5.131
  584    HA   LYS  71           HA       LYS  71   4.346  -3.350   7.016
  585   1HB   LYS  71          HB2       LYS  71   3.308  -4.630   5.092
  586   2HB   LYS  71          HB1       LYS  71   4.275  -3.645   4.004
  587   1HG   LYS  71          HG2       LYS  71   6.318  -4.489   5.063
  588   2HG   LYS  71          HG1       LYS  71   5.338  -5.488   6.136
  589   1HD   LYS  71          HD2       LYS  71   4.420  -6.652   4.164
  590   2HD   LYS  71          HD1       LYS  71   5.473  -5.685   3.129
  591   1HE   LYS  71          HE2       LYS  71   6.505  -7.815   3.481
  592   2HE   LYS  71          HE1       LYS  71   7.427  -6.597   4.360
  593   1HZ   LYS  71          HZ1       LYS  71   7.155  -8.530   5.724
  594   2HZ   LYS  71          HZ2       LYS  71   5.472  -8.519   5.507
  595   3HZ   LYS  71          HZ3       LYS  71   6.219  -7.280   6.391
  596    H    ASN  72           HN       ASN  72   6.637  -3.082   6.796
  597    HA   ASN  72           HA       ASN  72   7.262  -0.338   5.997
  598   1HB   ASN  72          HB2       ASN  72   8.726  -2.271   7.806
  599   2HB   ASN  72          HB1       ASN  72   9.335  -0.679   7.381
  600   1HD2  ASN  72          HD21      ASN  72   5.960  -1.427   8.010
  601   2HD2  ASN  72          HD22      ASN  72   5.829  -0.502   9.465
  602    H    LEU  73           HN       LEU  73   8.625   0.127   4.387
  603    HA   LEU  73           HA       LEU  73  10.006  -2.138   3.102
  604   1HB   LEU  73          HB2       LEU  73   9.098   0.469   1.870
  605   2HB   LEU  73          HB1       LEU  73   9.984  -0.788   1.032
  606    HG   LEU  73           HG       LEU  73   7.960  -2.300   1.657
  607   1HD1  LEU  73          HD11      LEU  73   6.718   0.438   1.882
  608   2HD1  LEU  73          HD12      LEU  73   6.874  -0.747   3.179
  609   3HD1  LEU  73          HD13      LEU  73   5.838  -1.088   1.792
  610   1HD2  LEU  73          HD21      LEU  73   6.812  -1.612  -0.392
  611   2HD2  LEU  73          HD22      LEU  73   8.562  -1.670  -0.608
  612   3HD2  LEU  73          HD23      LEU  73   7.750  -0.118  -0.410
  613    HA   PRO  74           HA       PRO  74  13.403   0.469   4.551
  614   1HB   PRO  74          HB2       PRO  74  14.903  -1.486   5.601
  615   2HB   PRO  74          HB1       PRO  74  13.466  -0.874   6.424
  616   1HG   PRO  74          HG2       PRO  74  13.875  -3.434   5.000
  617   2HG   PRO  74          HG1       PRO  74  12.762  -3.044   6.320
  618   1HD   PRO  74          HD2       PRO  74  12.182  -3.185   3.526
  619   2HD   PRO  74          HD1       PRO  74  11.085  -2.722   4.840
  620    H    LYS  75           HN       LYS  75  15.119   1.103   3.375
  621    HA   LYS  75           HA       LYS  75  16.703  -0.913   1.985
  622   1HB   LYS  75          HB2       LYS  75  15.142   0.125   0.301
  623   2HB   LYS  75          HB1       LYS  75  15.921   1.671   0.624
  624   1HG   LYS  75          HG2       LYS  75  18.111   0.433   0.059
  625   2HG   LYS  75          HG1       LYS  75  17.057  -0.772  -0.679
  626   1HD   LYS  75          HD2       LYS  75  17.822   0.813  -2.345
  627   2HD   LYS  75          HD1       LYS  75  16.083   0.981  -2.101
  628   1HE   LYS  75          HE2       LYS  75  16.293   3.006  -1.015
  629   2HE   LYS  75          HE1       LYS  75  17.966   2.697  -0.542
  630   1HZ   LYS  75          HZ1       LYS  75  18.656   3.014  -2.817
  631   2HZ   LYS  75          HZ2       LYS  75  17.785   4.373  -2.302
  632   3HZ   LYS  75          HZ3       LYS  75  17.052   3.236  -3.319
  633    H    ASP  76           HN       ASP  76  18.642  -0.715   2.891
  634    HA   ASP  76           HA       ASP  76  19.691   2.000   3.367
  635   1HB   ASP  76          HB2       ASP  76  19.928  -0.440   5.134
  636   2HB   ASP  76          HB1       ASP  76  21.001   0.944   5.287
  637    H    SER  77           HN       SER  77  21.471   2.389   2.200
  638    HA   SER  77           HA       SER  77  23.346   0.225   1.691
  639   1HB   SER  77          HB2       SER  77  23.370   0.882  -0.782
  640   2HB   SER  77          HB1       SER  77  21.990  -0.058  -0.221
  641    HG   SER  77           HG       SER  77  22.111   2.732  -0.739
  642    H    LEU  78           HN       LEU  78  25.207   1.043   2.401
  643    HA   LEU  78           HA       LEU  78  25.957   3.792   2.007
  644   1HB   LEU  78          HB2       LEU  78  27.577   1.372   2.836
  645   2HB   LEU  78          HB1       LEU  78  28.230   2.993   2.735
  646    HG   LEU  78           HG       LEU  78  26.494   3.668   4.465
  647   1HD1  LEU  78          HD11      LEU  78  26.282   0.684   4.822
  648   2HD1  LEU  78          HD12      LEU  78  25.008   1.743   4.218
  649   3HD1  LEU  78          HD13      LEU  78  25.585   1.915   5.875
  650   1HD2  LEU  78          HD21      LEU  78  27.838   2.831   6.323
  651   2HD2  LEU  78          HD22      LEU  78  28.855   3.381   4.990
  652   3HD2  LEU  78          HD23      LEU  78  28.597   1.656   5.250
  653    H    GLU  79           HN       GLU  79  26.360   4.500  -0.013
  654    HA   GLU  79           HA       GLU  79  26.697   2.480  -2.046
  655   1HB   GLU  79          HB2       GLU  79  25.029   4.454  -2.046
  656   2HB   GLU  79          HB1       GLU  79  26.397   5.408  -2.601
  657   1HG   GLU  79          HG2       GLU  79  26.598   4.137  -4.584
  658   2HG   GLU  79          HG1       GLU  79  25.493   2.900  -3.984
  659    H    HIS  80           HN       HIS  80  28.892   1.972  -1.449
  660    HA   HIS  80           HA       HIS  80  31.031   1.771  -2.146
  661   1HB   HIS  80          HB2       HIS  80  29.861   3.369  -4.399
  662   2HB   HIS  80          HB1       HIS  80  31.550   2.873  -4.411
  663    HD1  HIS  80           HD1      HIS  80  32.060   0.497  -5.064
  664    HD2  HIS  80           HD2      HIS  80  27.995   1.180  -4.487
  665    HE1  HIS  80           HE1      HIS  80  30.898  -1.586  -5.871
  666    HE2  HIS  80           HE2      HIS  80  28.436  -1.106  -5.627
  667    H    HIS  81           HN       HIS  81  30.415   4.152  -0.388
  668    HA   HIS  81           HA       HIS  81  32.485   6.014  -1.237
  669   1HB   HIS  81          HB2       HIS  81  30.384   6.847  -0.174
  670   2HB   HIS  81          HB1       HIS  81  30.862   6.052   1.322
  671    HD1  HIS  81           HD1      HIS  81  32.384   8.634  -1.063
  672    HD2  HIS  81           HD2      HIS  81  32.189   7.724   2.993
  673    HE1  HIS  81           HE1      HIS  81  33.649  10.457   0.103
  674    HE2  HIS  81           HE2      HIS  81  33.731   9.748   2.512
  675    H    HIS  82           HN       HIS  82  33.143   3.226  -0.573
  676    HA   HIS  82           HA       HIS  82  35.502   3.837   0.914
  677   1HB   HIS  82          HB2       HIS  82  33.684   3.351   2.679
  678   2HB   HIS  82          HB1       HIS  82  33.799   1.678   2.142
  679    HD1  HIS  82           HD1      HIS  82  35.688   0.303   3.082
  680    HD2  HIS  82           HD2      HIS  82  36.132   4.376   3.819
  681    HE1  HIS  82           HE1      HIS  82  37.633   0.499   4.662
  682    HE2  HIS  82           HE2      HIS  82  37.754   2.945   5.249
  683    H    HIS  83           HN       HIS  83  36.671   3.124  -0.747
  684    HA   HIS  83           HA       HIS  83  37.193   0.360  -1.024
  685   1HB   HIS  83          HB2       HIS  83  35.025   0.595  -2.361
  686   2HB   HIS  83          HB1       HIS  83  35.936   1.593  -3.487
  687    HD1  HIS  83           HD1      HIS  83  35.216  -1.893  -2.589
  688    HD2  HIS  83           HD2      HIS  83  38.004   0.149  -4.910
  689    HE1  HIS  83           HE1      HIS  83  36.274  -3.633  -4.069
  690    HE2  HIS  83           HE2      HIS  83  38.035  -2.402  -5.385
  691    H    HIS  84           HN       HIS  84  37.167   3.284  -3.057
  692    HA   HIS  84           HA       HIS  84  40.037   3.072  -3.476
  693   1HB   HIS  84          HB2       HIS  84  38.461   3.857  -5.285
  694   2HB   HIS  84          HB1       HIS  84  38.159   5.298  -4.320
  695    HD1  HIS  84           HD1      HIS  84  39.599   7.236  -4.883
  696    HD2  HIS  84           HD2      HIS  84  41.373   3.619  -5.922
  697    HE1  HIS  84           HE1      HIS  84  41.742   7.841  -6.053
  698    HE2  HIS  84           HE2      HIS  84  42.724   5.641  -6.802
  699    H    HIS  85           HN       HIS  85  39.862   3.117  -0.953
  700    HA   HIS  85           HA       HIS  85  40.311   4.104   1.025
  701   1HB   HIS  85          HB2       HIS  85  42.119   5.258  -0.233
  702   2HB   HIS  85          HB1       HIS  85  40.999   6.560  -0.613
  703    HD1  HIS  85           HD1      HIS  85  41.543   8.510   0.781
  704    HD2  HIS  85           HD2      HIS  85  41.985   4.951   2.876
  705    HE1  HIS  85           HE1      HIS  85  42.240   9.175   3.102
  706    HE2  HIS  85           HE2      HIS  85  42.741